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/UTR12-7e8366f9/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/UTR12-7e8366f9/inputs/seq.fa: 1 curr_seq: _CUCUGAGUUGCAAGUGCUAUAGCUCGGAAUCCCGUCGCAGACUCAAUCGAACGAAACACUCCAAAUAGCAAAACCAGCUCUGCAACUAUUGCUAGAGACAGACGGAUUUGUGGGAGUACCAACAACAACA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CUCUGAGUUGCAAGUGCUAUAGCUCGGAAUCCCGUCGCAGACUCAAUCGAACGAAACACUCCAAAUAGCAAAACCAGCUCUGCAACUAUUGCUAGAGACAGACGGAUUUGUGGGAGUACCAACAACAACA 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 130 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: 655 n_atoms_counter: 655 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 130.000000 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/UTR12-7e8366f9/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/UTR12-7e8366f9/inputs/seq.fa: 1 curr_seq: _CUCUGAGUUGCAAGUGCUAUAGCUCGGAAUCCCGUCGCAGACUCAAUCGAACGAAACACUCCAAAUAGCAAAACCAGCUCUGCAACUAUUGCUAGAGACAGACGGAUUUGUGGGAGUACCAACAACAACA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CUCUGAGUUGCAAGUGCUAUAGCUCGGAAUCCCGUCGCAGACUCAAUCGAACGAAACACUCCAAAUAGCAAAACCAGCUCUGCAACUAUUGCUAGAGACAGACGGAUUUGUGGGAGUACCAACAACAACA 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 130 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: 655 n_atoms_counter: 655 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 130.000000 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/UTR12-7e8366f9/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/UTR12-7e8366f9/inputs/seq.fa: 1 curr_seq: _CUCUGAGUUGCAAGUGCUAUAGCUCGGAAUCCCGUCGCAGACUCAAUCGAACGAAACACUCCAAAUAGCAAAACCAGCUCUGCAACUAUUGCUAGAGACAGACGGAUUUGUGGGAGUACCAACAACAACA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CUCUGAGUUGCAAGUGCUAUAGCUCGGAAUCCCGUCGCAGACUCAAUCGAACGAAACACUCCAAAUAGCAAAACCAGCUCUGCAACUAUUGCUAGAGACAGACGGAUUUGUGGGAGUACCAACAACAACA 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 130 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: 655 n_atoms_counter: 655 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 130.000000 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/UTR12-7e8366f9/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/UTR12-7e8366f9/inputs/seq.fa: 1 curr_seq: _CUCUGAGUUGCAAGUGCUAUAGCUCGGAAUCCCGUCGCAGACUCAAUCGAACGAAACACUCCAAAUAGCAAAACCAGCUCUGCAACUAUUGCUAGAGACAGACGGAUUUGUGGGAGUACCAACAACAACA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CUCUGAGUUGCAAGUGCUAUAGCUCGGAAUCCCGUCGCAGACUCAAUCGAACGAAACACUCCAAAUAGCAAAACCAGCUCUGCAACUAUUGCUAGAGACAGACGGAUUUGUGGGAGUACCAACAACAACA 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 130 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: 655 n_atoms_counter: 655 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 130.000000 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/UTR12-7e8366f9/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/UTR12-7e8366f9/inputs/seq.fa: 1 curr_seq: _CUCUGAGUUGCAAGUGCUAUAGCUCGGAAUCCCGUCGCAGACUCAAUCGAACGAAACACUCCAAAUAGCAAAACCAGCUCUGCAACUAUUGCUAGAGACAGACGGAUUUGUGGGAGUACCAACAACAACA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CUCUGAGUUGCAAGUGCUAUAGCUCGGAAUCCCGUCGCAGACUCAAUCGAACGAAACACUCCAAAUAGCAAAACCAGCUCUGCAACUAUUGCUAGAGACAGACGGAUUUGUGGGAGUACCAACAACAACA 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 130 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: 655 n_atoms_counter: 655 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 130.000000 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/UTR12-7e8366f9/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/UTR12-7e8366f9/inputs/seq.fa: 1 curr_seq: _CUCUGAGUUGCAAGUGCUAUAGCUCGGAAUCCCGUCGCAGACUCAAUCGAACGAAACACUCCAAAUAGCAAAACCAGCUCUGCAACUAUUGCUAGAGACAGACGGAUUUGUGGGAGUACCAACAACAACA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CUCUGAGUUGCAAGUGCUAUAGCUCGGAAUCCCGUCGCAGACUCAAUCGAACGAAACACUCCAAAUAGCAAAACCAGCUCUGCAACUAUUGCUAGAGACAGACGGAUUUGUGGGAGUACCAACAACAACA 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 130 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: 655 n_atoms_counter: 655 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 130.000000 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/UTR12-7e8366f9/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/UTR12-7e8366f9/inputs/seq.fa: 1 curr_seq: _CUCUGAGUUGCAAGUGCUAUAGCUCGGAAUCCCGUCGCAGACUCAAUCGAACGAAACACUCCAAAUAGCAAAACCAGCUCUGCAACUAUUGCUAGAGACAGACGGAUUUGUGGGAGUACCAACAACAACA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CUCUGAGUUGCAAGUGCUAUAGCUCGGAAUCCCGUCGCAGACUCAAUCGAACGAAACACUCCAAAUAGCAAAACCAGCUCUGCAACUAUUGCUAGAGACAGACGGAUUUGUGGGAGUACCAACAACAACA 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 130 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: 655 n_atoms_counter: 655 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 130.000000 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/UTR12-7e8366f9/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/UTR12-7e8366f9/inputs/seq.fa: 1 curr_seq: _CUCUGAGUUGCAAGUGCUAUAGCUCGGAAUCCCGUCGCAGACUCAAUCGAACGAAACACUCCAAAUAGCAAAACCAGCUCUGCAACUAUUGCUAGAGACAGACGGAUUUGUGGGAGUACCAACAACAACA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CUCUGAGUUGCAAGUGCUAUAGCUCGGAAUCCCGUCGCAGACUCAAUCGAACGAAACACUCCAAAUAGCAAAACCAGCUCUGCAACUAUUGCUAGAGACAGACGGAUUUGUGGGAGUACCAACAACAACA 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 130 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: 655 n_atoms_counter: 655 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 130.000000 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/UTR12-7e8366f9/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/UTR12-7e8366f9/inputs/seq.fa: 1 curr_seq: _CUCUGAGUUGCAAGUGCUAUAGCUCGGAAUCCCGUCGCAGACUCAAUCGAACGAAACACUCCAAAUAGCAAAACCAGCUCUGCAACUAUUGCUAGAGACAGACGGAUUUGUGGGAGUACCAACAACAACA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CUCUGAGUUGCAAGUGCUAUAGCUCGGAAUCCCGUCGCAGACUCAAUCGAACGAAACACUCCAAAUAGCAAAACCAGCUCUGCAACUAUUGCUAGAGACAGACGGAUUUGUGGGAGUACCAACAACAACA 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 130 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: 655 n_atoms_counter: 655 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 130.000000 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/UTR12-7e8366f9/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/UTR12-7e8366f9/inputs/seq.fa: 1 curr_seq: _CUCUGAGUUGCAAGUGCUAUAGCUCGGAAUCCCGUCGCAGACUCAAUCGAACGAAACACUCCAAAUAGCAAAACCAGCUCUGCAACUAUUGCUAGAGACAGACGGAUUUGUGGGAGUACCAACAACAACA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CUCUGAGUUGCAAGUGCUAUAGCUCGGAAUCCCGUCGCAGACUCAAUCGAACGAAACACUCCAAAUAGCAAAACCAGCUCUGCAACUAUUGCUAGAGACAGACGGAUUUGUGGGAGUACCAACAACAACA 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 130 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: 655 n_atoms_counter: 655 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 130.000000 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: -526.335961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.335961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.335961 (E_RNA) where: Base-Base interactions energy: -20.189 where: short stacking energy: -20.189 Base-Backbone interact. energy: -0.000 local terms energy: -506.146833 where: bonds (distance) C4'-P energy: -126.305 bonds (distance) P-C4' energy: -117.199 flat angles C4'-P-C4' energy: -95.449 flat angles P-C4'-P energy: -109.184 tors. eta vs tors. theta energy: -58.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -526.335961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.335961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.335961 (E_RNA) where: Base-Base interactions energy: -20.189 where: short stacking energy: -20.189 Base-Backbone interact. energy: -0.000 local terms energy: -506.146833 where: bonds (distance) C4'-P energy: -126.305 bonds (distance) P-C4' energy: -117.199 flat angles C4'-P-C4' energy: -95.449 flat angles P-C4'-P energy: -109.184 tors. eta vs tors. theta energy: -58.009 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: 3, replica: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -526.335961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.335961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.335961 (E_RNA) where: Base-Base interactions energy: -20.189 where: short stacking energy: -20.189 Base-Backbone interact. energy: -0.000 local terms energy: -506.146833 where: bonds (distance) C4'-P energy: -126.305 bonds (distance) P-C4' energy: -117.199 flat angles C4'-P-C4' energy: -95.449 flat angles P-C4'-P energy: -109.184 tors. eta vs tors. theta energy: -58.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -526.335961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.335961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.335961 (E_RNA) where: Base-Base interactions energy: -20.189 where: short stacking energy: -20.189 Base-Backbone interact. energy: -0.000 local terms energy: -506.146833 where: bonds (distance) C4'-P energy: -126.305 bonds (distance) P-C4' energy: -117.199 flat angles C4'-P-C4' energy: -95.449 flat angles P-C4'-P energy: -109.184 tors. eta vs tors. theta energy: -58.009 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: 5, replica: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -526.335961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.335961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.335961 (E_RNA) where: Base-Base interactions energy: -20.189 where: short stacking energy: -20.189 Base-Backbone interact. energy: -0.000 local terms energy: -506.146833 where: bonds (distance) C4'-P energy: -126.305 bonds (distance) P-C4' energy: -117.199 flat angles C4'-P-C4' energy: -95.449 flat angles P-C4'-P energy: -109.184 tors. eta vs tors. theta energy: -58.009 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: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -526.335961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.335961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.335961 (E_RNA) where: Base-Base interactions energy: -20.189 where: short stacking energy: -20.189 Base-Backbone interact. energy: -0.000 local terms energy: -506.146833 where: bonds (distance) C4'-P energy: -126.305 bonds (distance) P-C4' energy: -117.199 flat angles C4'-P-C4' energy: -95.449 flat angles P-C4'-P energy: -109.184 tors. eta vs tors. theta energy: -58.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -526.335961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.335961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.335961 (E_RNA) where: Base-Base interactions energy: -20.189 where: short stacking energy: -20.189 Base-Backbone interact. energy: -0.000 local terms energy: -506.146833 where: bonds (distance) C4'-P energy: -126.305 bonds (distance) P-C4' energy: -117.199 flat angles C4'-P-C4' energy: -95.449 flat angles P-C4'-P energy: -109.184 tors. eta vs tors. theta energy: -58.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -526.335961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.335961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.335961 (E_RNA) where: Base-Base interactions energy: -20.189 where: short stacking energy: -20.189 Base-Backbone interact. energy: -0.000 local terms energy: -506.146833 where: bonds (distance) C4'-P energy: -126.305 bonds (distance) P-C4' energy: -117.199 flat angles C4'-P-C4' energy: -95.449 flat angles P-C4'-P energy: -109.184 tors. eta vs tors. theta energy: -58.009 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: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -526.335961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.335961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.335961 (E_RNA) where: Base-Base interactions energy: -20.189 where: short stacking energy: -20.189 Base-Backbone interact. energy: -0.000 local terms energy: -506.146833 where: bonds (distance) C4'-P energy: -126.305 bonds (distance) P-C4' energy: -117.199 flat angles C4'-P-C4' energy: -95.449 flat angles P-C4'-P energy: -109.184 tors. eta vs tors. theta energy: -58.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -526.335961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.335961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.335961 (E_RNA) where: Base-Base interactions energy: -20.189 where: short stacking energy: -20.189 Base-Backbone interact. energy: -0.000 local terms energy: -506.146833 where: bonds (distance) C4'-P energy: -126.305 bonds (distance) P-C4' energy: -117.199 flat angles C4'-P-C4' energy: -95.449 flat angles P-C4'-P energy: -109.184 tors. eta vs tors. theta energy: -58.009 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: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -655.505286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.505286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.505286 (E_RNA) where: Base-Base interactions energy: -264.227 where: short stacking energy: -264.227 Base-Backbone interact. energy: -0.265 local terms energy: -391.013126 where: bonds (distance) C4'-P energy: -90.805 bonds (distance) P-C4' energy: -85.416 flat angles C4'-P-C4' energy: -86.244 flat angles P-C4'-P energy: -64.263 tors. eta vs tors. theta energy: -64.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -638.157566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.157566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.157566 (E_RNA) where: Base-Base interactions energy: -272.138 where: short stacking energy: -256.584 Base-Backbone interact. energy: -0.368 local terms energy: -365.651157 where: bonds (distance) C4'-P energy: -80.545 bonds (distance) P-C4' energy: -90.859 flat angles C4'-P-C4' energy: -84.176 flat angles P-C4'-P energy: -54.993 tors. eta vs tors. theta energy: -55.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -585.043492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.043492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.043492 (E_RNA) where: Base-Base interactions energy: -245.513 where: short stacking energy: -245.513 Base-Backbone interact. energy: -0.005 local terms energy: -339.525246 where: bonds (distance) C4'-P energy: -75.148 bonds (distance) P-C4' energy: -74.679 flat angles C4'-P-C4' energy: -80.026 flat angles P-C4'-P energy: -47.798 tors. eta vs tors. theta energy: -61.874 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: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -528.164711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.164711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.164711 (E_RNA) where: Base-Base interactions energy: -34.564 where: short stacking energy: -34.564 Base-Backbone interact. energy: -0.000 local terms energy: -493.600934 where: bonds (distance) C4'-P energy: -120.212 bonds (distance) P-C4' energy: -110.947 flat angles C4'-P-C4' energy: -95.623 flat angles P-C4'-P energy: -107.628 tors. eta vs tors. theta energy: -59.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -531.327398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.327398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.327398 (E_RNA) where: Base-Base interactions energy: -72.823 where: short stacking energy: -72.823 Base-Backbone interact. energy: -0.000 local terms energy: -458.504286 where: bonds (distance) C4'-P energy: -102.855 bonds (distance) P-C4' energy: -91.490 flat angles C4'-P-C4' energy: -101.025 flat angles P-C4'-P energy: -102.348 tors. eta vs tors. theta energy: -60.786 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: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -527.790167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.790167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.790167 (E_RNA) where: Base-Base interactions energy: -28.322 where: short stacking energy: -28.322 Base-Backbone interact. energy: -0.000 local terms energy: -499.468271 where: bonds (distance) C4'-P energy: -122.621 bonds (distance) P-C4' energy: -115.467 flat angles C4'-P-C4' energy: -94.980 flat angles P-C4'-P energy: -107.376 tors. eta vs tors. theta energy: -59.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -529.747434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.747434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.747434 (E_RNA) where: Base-Base interactions energy: -28.531 where: short stacking energy: -28.531 Base-Backbone interact. energy: -0.000 local terms energy: -501.216527 where: bonds (distance) C4'-P energy: -122.845 bonds (distance) P-C4' energy: -116.253 flat angles C4'-P-C4' energy: -95.105 flat angles P-C4'-P energy: -108.342 tors. eta vs tors. theta energy: -58.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -529.192921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.192921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.192921 (E_RNA) where: Base-Base interactions energy: -28.529 where: short stacking energy: -28.529 Base-Backbone interact. energy: -0.000 local terms energy: -500.663414 where: bonds (distance) C4'-P energy: -122.426 bonds (distance) P-C4' energy: -116.253 flat angles C4'-P-C4' energy: -95.105 flat angles P-C4'-P energy: -108.342 tors. eta vs tors. theta energy: -58.537 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: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -525.443976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.443976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.443976 (E_RNA) where: Base-Base interactions energy: -19.888 where: short stacking energy: -19.888 Base-Backbone interact. energy: -0.000 local terms energy: -505.555766 where: bonds (distance) C4'-P energy: -126.189 bonds (distance) P-C4' energy: -117.193 flat angles C4'-P-C4' energy: -94.864 flat angles P-C4'-P energy: -109.147 tors. eta vs tors. theta energy: -58.163 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: 10, replica: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -527.730491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.730491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.730491 (E_RNA) where: Base-Base interactions energy: -28.431 where: short stacking energy: -28.431 Base-Backbone interact. energy: -0.000 local terms energy: -499.299660 where: bonds (distance) C4'-P energy: -121.164 bonds (distance) P-C4' energy: -116.485 flat angles C4'-P-C4' energy: -95.636 flat angles P-C4'-P energy: -107.548 tors. eta vs tors. theta energy: -58.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -703.054301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.054301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.054301 (E_RNA) where: Base-Base interactions energy: -317.107 where: short stacking energy: -313.891 Base-Backbone interact. energy: 0.873 local terms energy: -386.820313 where: bonds (distance) C4'-P energy: -79.841 bonds (distance) P-C4' energy: -87.527 flat angles C4'-P-C4' energy: -82.686 flat angles P-C4'-P energy: -51.404 tors. eta vs tors. theta energy: -85.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -668.205602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.205602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.205602 (E_RNA) where: Base-Base interactions energy: -310.279 where: short stacking energy: -272.748 Base-Backbone interact. energy: -0.038 local terms energy: -357.888197 where: bonds (distance) C4'-P energy: -86.912 bonds (distance) P-C4' energy: -83.858 flat angles C4'-P-C4' energy: -75.396 flat angles P-C4'-P energy: -44.088 tors. eta vs tors. theta energy: -67.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -589.049661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.049661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.049661 (E_RNA) where: Base-Base interactions energy: -248.017 where: short stacking energy: -211.386 Base-Backbone interact. energy: 0.162 local terms energy: -341.195187 where: bonds (distance) C4'-P energy: -77.708 bonds (distance) P-C4' energy: -78.009 flat angles C4'-P-C4' energy: -83.762 flat angles P-C4'-P energy: -58.606 tors. eta vs tors. theta energy: -43.111 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: 4 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -568.956978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.956978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.956978 (E_RNA) where: Base-Base interactions energy: -264.688 where: short stacking energy: -218.731 Base-Backbone interact. energy: -1.333 local terms energy: -302.936685 where: bonds (distance) C4'-P energy: -79.216 bonds (distance) P-C4' energy: -70.705 flat angles C4'-P-C4' energy: -72.307 flat angles P-C4'-P energy: -47.379 tors. eta vs tors. theta energy: -33.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -482.699983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.699983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.699983 (E_RNA) where: Base-Base interactions energy: -197.174 where: short stacking energy: -157.283 Base-Backbone interact. energy: 0.302 local terms energy: -285.827900 where: bonds (distance) C4'-P energy: -64.636 bonds (distance) P-C4' energy: -82.836 flat angles C4'-P-C4' energy: -68.156 flat angles P-C4'-P energy: -53.541 tors. eta vs tors. theta energy: -16.659 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: 6 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -457.118587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.118587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.118587 (E_RNA) where: Base-Base interactions energy: -158.661 where: short stacking energy: -136.827 Base-Backbone interact. energy: 1.723 local terms energy: -300.181125 where: bonds (distance) C4'-P energy: -90.547 bonds (distance) P-C4' energy: -76.934 flat angles C4'-P-C4' energy: -74.363 flat angles P-C4'-P energy: -38.299 tors. eta vs tors. theta energy: -20.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -393.779546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.779546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.779546 (E_RNA) where: Base-Base interactions energy: -131.818 where: short stacking energy: -128.362 Base-Backbone interact. energy: 1.187 local terms energy: -263.147960 where: bonds (distance) C4'-P energy: -80.660 bonds (distance) P-C4' energy: -68.477 flat angles C4'-P-C4' energy: -71.274 flat angles P-C4'-P energy: -40.609 tors. eta vs tors. theta energy: -2.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -399.853971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.853971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.853971 (E_RNA) where: Base-Base interactions energy: -144.776 where: short stacking energy: -139.605 Base-Backbone interact. energy: -0.678 local terms energy: -254.399558 where: bonds (distance) C4'-P energy: -61.038 bonds (distance) P-C4' energy: -69.145 flat angles C4'-P-C4' energy: -57.694 flat angles P-C4'-P energy: -52.089 tors. eta vs tors. theta energy: -14.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -381.370756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.370756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.370756 (E_RNA) where: Base-Base interactions energy: -178.494 where: short stacking energy: -121.731 Base-Backbone interact. energy: 0.111 local terms energy: -202.987902 where: bonds (distance) C4'-P energy: -72.809 bonds (distance) P-C4' energy: -56.124 flat angles C4'-P-C4' energy: -65.940 flat angles P-C4'-P energy: -9.388 tors. eta vs tors. theta energy: 1.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -323.629984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.629984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.629984 (E_RNA) where: Base-Base interactions energy: -99.886 where: short stacking energy: -95.959 Base-Backbone interact. energy: -0.374 local terms energy: -223.370061 where: bonds (distance) C4'-P energy: -60.102 bonds (distance) P-C4' energy: -67.028 flat angles C4'-P-C4' energy: -48.201 flat angles P-C4'-P energy: -61.045 tors. eta vs tors. theta energy: 13.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -763.596827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.596827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.596827 (E_RNA) where: Base-Base interactions energy: -404.621 where: short stacking energy: -261.990 Base-Backbone interact. energy: -0.700 local terms energy: -358.275575 where: bonds (distance) C4'-P energy: -74.798 bonds (distance) P-C4' energy: -95.616 flat angles C4'-P-C4' energy: -85.446 flat angles P-C4'-P energy: -51.569 tors. eta vs tors. theta energy: -50.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -681.823772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.823772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.823772 (E_RNA) where: Base-Base interactions energy: -335.943 where: short stacking energy: -271.974 Base-Backbone interact. energy: -1.422 local terms energy: -344.458705 where: bonds (distance) C4'-P energy: -82.333 bonds (distance) P-C4' energy: -81.499 flat angles C4'-P-C4' energy: -70.904 flat angles P-C4'-P energy: -42.147 tors. eta vs tors. theta energy: -67.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -664.929541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.929541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.929541 (E_RNA) where: Base-Base interactions energy: -341.536 where: short stacking energy: -239.939 Base-Backbone interact. energy: -1.494 local terms energy: -321.899882 where: bonds (distance) C4'-P energy: -71.790 bonds (distance) P-C4' energy: -75.130 flat angles C4'-P-C4' energy: -65.343 flat angles P-C4'-P energy: -51.117 tors. eta vs tors. theta energy: -58.520 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: 4 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -541.553900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.553900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.553900 (E_RNA) where: Base-Base interactions energy: -236.931 where: short stacking energy: -201.495 Base-Backbone interact. energy: -0.906 local terms energy: -303.716567 where: bonds (distance) C4'-P energy: -77.099 bonds (distance) P-C4' energy: -72.957 flat angles C4'-P-C4' energy: -71.128 flat angles P-C4'-P energy: -53.950 tors. eta vs tors. theta energy: -28.582 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: 5, replica: 5 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -555.354642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.354642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.354642 (E_RNA) where: Base-Base interactions energy: -245.746 where: short stacking energy: -171.742 Base-Backbone interact. energy: 2.596 local terms energy: -312.204948 where: bonds (distance) C4'-P energy: -81.205 bonds (distance) P-C4' energy: -78.802 flat angles C4'-P-C4' energy: -69.583 flat angles P-C4'-P energy: -50.002 tors. eta vs tors. theta energy: -32.613 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: 6 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -522.001531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.001531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.001531 (E_RNA) where: Base-Base interactions energy: -241.953 where: short stacking energy: -148.738 Base-Backbone interact. energy: 1.181 local terms energy: -281.229971 where: bonds (distance) C4'-P energy: -75.939 bonds (distance) P-C4' energy: -71.467 flat angles C4'-P-C4' energy: -63.576 flat angles P-C4'-P energy: -39.772 tors. eta vs tors. theta energy: -30.476 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: 9 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -424.988576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.988576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.988576 (E_RNA) where: Base-Base interactions energy: -166.914 where: short stacking energy: -134.032 Base-Backbone interact. energy: 0.984 local terms energy: -259.059215 where: bonds (distance) C4'-P energy: -68.077 bonds (distance) P-C4' energy: -75.177 flat angles C4'-P-C4' energy: -72.552 flat angles P-C4'-P energy: -41.187 tors. eta vs tors. theta energy: -2.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -383.321457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.321457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.321457 (E_RNA) where: Base-Base interactions energy: -128.295 where: short stacking energy: -106.768 Base-Backbone interact. energy: 0.316 local terms energy: -255.342398 where: bonds (distance) C4'-P energy: -66.950 bonds (distance) P-C4' energy: -75.480 flat angles C4'-P-C4' energy: -76.980 flat angles P-C4'-P energy: -33.305 tors. eta vs tors. theta energy: -2.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -406.444986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.444986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.444986 (E_RNA) where: Base-Base interactions energy: -180.670 where: short stacking energy: -127.107 Base-Backbone interact. energy: -0.123 local terms energy: -225.651758 where: bonds (distance) C4'-P energy: -52.004 bonds (distance) P-C4' energy: -68.207 flat angles C4'-P-C4' energy: -70.185 flat angles P-C4'-P energy: -32.642 tors. eta vs tors. theta energy: -2.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -342.068679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.068679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.068679 (E_RNA) where: Base-Base interactions energy: -136.930 where: short stacking energy: -126.553 Base-Backbone interact. energy: 1.176 local terms energy: -206.314432 where: bonds (distance) C4'-P energy: -58.240 bonds (distance) P-C4' energy: -62.064 flat angles C4'-P-C4' energy: -41.828 flat angles P-C4'-P energy: -44.291 tors. eta vs tors. theta energy: 0.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -773.832426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.832426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.832426 (E_RNA) where: Base-Base interactions energy: -427.269 where: short stacking energy: -292.598 Base-Backbone interact. energy: 2.206 local terms energy: -348.770241 where: bonds (distance) C4'-P energy: -69.410 bonds (distance) P-C4' energy: -80.860 flat angles C4'-P-C4' energy: -80.647 flat angles P-C4'-P energy: -54.096 tors. eta vs tors. theta energy: -63.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -783.385210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.385210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.385210 (E_RNA) where: Base-Base interactions energy: -419.906 where: short stacking energy: -288.266 Base-Backbone interact. energy: -0.446 local terms energy: -363.032722 where: bonds (distance) C4'-P energy: -73.830 bonds (distance) P-C4' energy: -84.352 flat angles C4'-P-C4' energy: -81.115 flat angles P-C4'-P energy: -58.346 tors. eta vs tors. theta energy: -65.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -674.514257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.514257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.514257 (E_RNA) where: Base-Base interactions energy: -341.896 where: short stacking energy: -258.167 Base-Backbone interact. energy: 2.268 local terms energy: -334.886248 where: bonds (distance) C4'-P energy: -73.699 bonds (distance) P-C4' energy: -86.292 flat angles C4'-P-C4' energy: -82.317 flat angles P-C4'-P energy: -38.868 tors. eta vs tors. theta energy: -53.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -632.485757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.485757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.485757 (E_RNA) where: Base-Base interactions energy: -310.031 where: short stacking energy: -196.448 Base-Backbone interact. energy: 0.412 local terms energy: -322.866854 where: bonds (distance) C4'-P energy: -78.174 bonds (distance) P-C4' energy: -84.582 flat angles C4'-P-C4' energy: -82.962 flat angles P-C4'-P energy: -47.658 tors. eta vs tors. theta energy: -29.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -485.918942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.918942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.918942 (E_RNA) where: Base-Base interactions energy: -214.131 where: short stacking energy: -160.242 Base-Backbone interact. energy: 2.676 local terms energy: -274.464039 where: bonds (distance) C4'-P energy: -74.121 bonds (distance) P-C4' energy: -78.070 flat angles C4'-P-C4' energy: -65.708 flat angles P-C4'-P energy: -41.494 tors. eta vs tors. theta energy: -15.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -544.564069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.564069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.564069 (E_RNA) where: Base-Base interactions energy: -250.746 where: short stacking energy: -161.934 Base-Backbone interact. energy: -0.497 local terms energy: -293.321400 where: bonds (distance) C4'-P energy: -64.540 bonds (distance) P-C4' energy: -70.899 flat angles C4'-P-C4' energy: -70.453 flat angles P-C4'-P energy: -58.535 tors. eta vs tors. theta energy: -28.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -451.589690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.589690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.589690 (E_RNA) where: Base-Base interactions energy: -195.509 where: short stacking energy: -136.210 Base-Backbone interact. energy: -1.562 local terms energy: -254.518190 where: bonds (distance) C4'-P energy: -80.688 bonds (distance) P-C4' energy: -73.253 flat angles C4'-P-C4' energy: -62.226 flat angles P-C4'-P energy: -35.277 tors. eta vs tors. theta energy: -3.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -450.341186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.341186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.341186 (E_RNA) where: Base-Base interactions energy: -203.645 where: short stacking energy: -135.684 Base-Backbone interact. energy: -0.783 local terms energy: -245.912917 where: bonds (distance) C4'-P energy: -74.318 bonds (distance) P-C4' energy: -72.113 flat angles C4'-P-C4' energy: -45.439 flat angles P-C4'-P energy: -43.063 tors. eta vs tors. theta energy: -10.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -355.454842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.454842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.454842 (E_RNA) where: Base-Base interactions energy: -118.310 where: short stacking energy: -93.344 Base-Backbone interact. energy: -1.142 local terms energy: -236.003196 where: bonds (distance) C4'-P energy: -75.470 bonds (distance) P-C4' energy: -65.031 flat angles C4'-P-C4' energy: -68.496 flat angles P-C4'-P energy: -30.814 tors. eta vs tors. theta energy: 3.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -310.650356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -310.650356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -310.650356 (E_RNA) where: Base-Base interactions energy: -93.830 where: short stacking energy: -84.690 Base-Backbone interact. energy: 1.479 local terms energy: -218.299036 where: bonds (distance) C4'-P energy: -53.373 bonds (distance) P-C4' energy: -67.187 flat angles C4'-P-C4' energy: -61.483 flat angles P-C4'-P energy: -42.063 tors. eta vs tors. theta energy: 5.806 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: 3 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -876.131882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.131882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.131882 (E_RNA) where: Base-Base interactions energy: -502.431 where: short stacking energy: -314.663 Base-Backbone interact. energy: -1.501 local terms energy: -372.199896 where: bonds (distance) C4'-P energy: -85.236 bonds (distance) P-C4' energy: -79.621 flat angles C4'-P-C4' energy: -76.856 flat angles P-C4'-P energy: -60.784 tors. eta vs tors. theta energy: -69.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -773.839357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.839357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.839357 (E_RNA) where: Base-Base interactions energy: -427.735 where: short stacking energy: -285.220 Base-Backbone interact. energy: -0.906 local terms energy: -345.197861 where: bonds (distance) C4'-P energy: -77.185 bonds (distance) P-C4' energy: -75.637 flat angles C4'-P-C4' energy: -76.867 flat angles P-C4'-P energy: -53.023 tors. eta vs tors. theta energy: -62.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -718.640115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.640115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.640115 (E_RNA) where: Base-Base interactions energy: -372.380 where: short stacking energy: -238.854 Base-Backbone interact. energy: 2.636 local terms energy: -348.896251 where: bonds (distance) C4'-P energy: -90.221 bonds (distance) P-C4' energy: -84.508 flat angles C4'-P-C4' energy: -74.455 flat angles P-C4'-P energy: -49.968 tors. eta vs tors. theta energy: -49.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -699.704459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.704459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.704459 (E_RNA) where: Base-Base interactions energy: -369.218 where: short stacking energy: -241.511 Base-Backbone interact. energy: -0.970 local terms energy: -329.516768 where: bonds (distance) C4'-P energy: -74.689 bonds (distance) P-C4' energy: -75.453 flat angles C4'-P-C4' energy: -68.233 flat angles P-C4'-P energy: -51.442 tors. eta vs tors. theta energy: -59.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -596.803928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.803928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.803928 (E_RNA) where: Base-Base interactions energy: -336.013 where: short stacking energy: -190.597 Base-Backbone interact. energy: 1.407 local terms energy: -262.197253 where: bonds (distance) C4'-P energy: -76.412 bonds (distance) P-C4' energy: -64.263 flat angles C4'-P-C4' energy: -62.135 flat angles P-C4'-P energy: -43.760 tors. eta vs tors. theta energy: -15.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -468.092193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.092193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.092193 (E_RNA) where: Base-Base interactions energy: -195.154 where: short stacking energy: -144.749 Base-Backbone interact. energy: 2.891 local terms energy: -275.829453 where: bonds (distance) C4'-P energy: -82.394 bonds (distance) P-C4' energy: -77.579 flat angles C4'-P-C4' energy: -58.417 flat angles P-C4'-P energy: -32.501 tors. eta vs tors. theta energy: -24.938 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: 8 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -512.281500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.281500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.281500 (E_RNA) where: Base-Base interactions energy: -250.430 where: short stacking energy: -150.875 Base-Backbone interact. energy: -0.492 local terms energy: -261.359064 where: bonds (distance) C4'-P energy: -75.584 bonds (distance) P-C4' energy: -61.690 flat angles C4'-P-C4' energy: -65.829 flat angles P-C4'-P energy: -46.006 tors. eta vs tors. theta energy: -12.250 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: 9 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -462.431407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.431407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.431407 (E_RNA) where: Base-Base interactions energy: -231.997 where: short stacking energy: -138.988 Base-Backbone interact. energy: -2.472 local terms energy: -227.962713 where: bonds (distance) C4'-P energy: -57.012 bonds (distance) P-C4' energy: -52.643 flat angles C4'-P-C4' energy: -68.490 flat angles P-C4'-P energy: -51.279 tors. eta vs tors. theta energy: 1.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -442.887588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.887588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.887588 (E_RNA) where: Base-Base interactions energy: -220.614 where: short stacking energy: -118.113 Base-Backbone interact. energy: 0.064 local terms energy: -222.337446 where: bonds (distance) C4'-P energy: -70.012 bonds (distance) P-C4' energy: -68.743 flat angles C4'-P-C4' energy: -62.131 flat angles P-C4'-P energy: -24.652 tors. eta vs tors. theta energy: 3.200 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: 10 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -331.351244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.351244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.351244 (E_RNA) where: Base-Base interactions energy: -98.669 where: short stacking energy: -86.836 Base-Backbone interact. energy: -0.939 local terms energy: -231.743176 where: bonds (distance) C4'-P energy: -67.094 bonds (distance) P-C4' energy: -77.343 flat angles C4'-P-C4' energy: -56.463 flat angles P-C4'-P energy: -41.252 tors. eta vs tors. theta energy: 10.409 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: 7 Temperature: 0.900000 Total energy: -915.491626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.491626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.491626 (E_RNA) where: Base-Base interactions energy: -513.130 where: short stacking energy: -314.353 Base-Backbone interact. energy: -0.466 local terms energy: -401.896248 where: bonds (distance) C4'-P energy: -80.723 bonds (distance) P-C4' energy: -82.859 flat angles C4'-P-C4' energy: -100.431 flat angles P-C4'-P energy: -56.599 tors. eta vs tors. theta energy: -81.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -780.034396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.034396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.034396 (E_RNA) where: Base-Base interactions energy: -414.172 where: short stacking energy: -288.017 Base-Backbone interact. energy: -0.956 local terms energy: -364.906289 where: bonds (distance) C4'-P energy: -81.144 bonds (distance) P-C4' energy: -81.374 flat angles C4'-P-C4' energy: -86.472 flat angles P-C4'-P energy: -52.781 tors. eta vs tors. theta energy: -63.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -715.063510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.063510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.063510 (E_RNA) where: Base-Base interactions energy: -370.781 where: short stacking energy: -252.173 Base-Backbone interact. energy: -2.502 local terms energy: -341.780929 where: bonds (distance) C4'-P energy: -78.424 bonds (distance) P-C4' energy: -69.993 flat angles C4'-P-C4' energy: -89.243 flat angles P-C4'-P energy: -44.356 tors. eta vs tors. theta energy: -59.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -680.112146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.112146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.112146 (E_RNA) where: Base-Base interactions energy: -386.752 where: short stacking energy: -194.103 Base-Backbone interact. energy: 0.609 local terms energy: -293.969428 where: bonds (distance) C4'-P energy: -73.754 bonds (distance) P-C4' energy: -67.726 flat angles C4'-P-C4' energy: -70.582 flat angles P-C4'-P energy: -48.042 tors. eta vs tors. theta energy: -33.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -661.646483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.646483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.646483 (E_RNA) where: Base-Base interactions energy: -373.126 where: short stacking energy: -205.487 Base-Backbone interact. energy: 5.185 local terms energy: -293.705489 where: bonds (distance) C4'-P energy: -72.885 bonds (distance) P-C4' energy: -60.066 flat angles C4'-P-C4' energy: -72.590 flat angles P-C4'-P energy: -54.421 tors. eta vs tors. theta energy: -33.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -544.770940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.770940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.770940 (E_RNA) where: Base-Base interactions energy: -266.332 where: short stacking energy: -178.643 Base-Backbone interact. energy: 1.158 local terms energy: -279.597468 where: bonds (distance) C4'-P energy: -62.668 bonds (distance) P-C4' energy: -76.819 flat angles C4'-P-C4' energy: -67.597 flat angles P-C4'-P energy: -46.045 tors. eta vs tors. theta energy: -26.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -488.676396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.676396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.676396 (E_RNA) where: Base-Base interactions energy: -220.104 where: short stacking energy: -133.406 Base-Backbone interact. energy: -2.674 local terms energy: -265.898261 where: bonds (distance) C4'-P energy: -79.458 bonds (distance) P-C4' energy: -69.722 flat angles C4'-P-C4' energy: -62.633 flat angles P-C4'-P energy: -47.617 tors. eta vs tors. theta energy: -6.468 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: 9 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -454.002202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.002202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.002202 (E_RNA) where: Base-Base interactions energy: -204.317 where: short stacking energy: -113.890 Base-Backbone interact. energy: -1.073 local terms energy: -248.612440 where: bonds (distance) C4'-P energy: -66.468 bonds (distance) P-C4' energy: -76.157 flat angles C4'-P-C4' energy: -64.470 flat angles P-C4'-P energy: -33.740 tors. eta vs tors. theta energy: -7.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -517.989338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.989338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.989338 (E_RNA) where: Base-Base interactions energy: -286.591 where: short stacking energy: -154.740 Base-Backbone interact. energy: 3.291 local terms energy: -234.689053 where: bonds (distance) C4'-P energy: -61.359 bonds (distance) P-C4' energy: -65.435 flat angles C4'-P-C4' energy: -46.103 flat angles P-C4'-P energy: -48.690 tors. eta vs tors. theta energy: -13.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -347.627082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.627082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.627082 (E_RNA) where: Base-Base interactions energy: -153.401 where: short stacking energy: -113.769 Base-Backbone interact. energy: -1.491 local terms energy: -192.735087 where: bonds (distance) C4'-P energy: -51.976 bonds (distance) P-C4' energy: -66.838 flat angles C4'-P-C4' energy: -56.775 flat angles P-C4'-P energy: -33.535 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: 1, replica: 3 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -911.665193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.665193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.665193 (E_RNA) where: Base-Base interactions energy: -522.837 where: short stacking energy: -306.715 Base-Backbone interact. energy: 0.277 local terms energy: -389.105285 where: bonds (distance) C4'-P energy: -78.471 bonds (distance) P-C4' energy: -87.855 flat angles C4'-P-C4' energy: -86.637 flat angles P-C4'-P energy: -52.610 tors. eta vs tors. theta energy: -83.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -798.814605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.814605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.814605 (E_RNA) where: Base-Base interactions energy: -469.797 where: short stacking energy: -294.125 Base-Backbone interact. energy: -0.236 local terms energy: -328.781916 where: bonds (distance) C4'-P energy: -65.245 bonds (distance) P-C4' energy: -73.491 flat angles C4'-P-C4' energy: -82.093 flat angles P-C4'-P energy: -43.412 tors. eta vs tors. theta energy: -64.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -792.085295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.085295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.085295 (E_RNA) where: Base-Base interactions energy: -461.705 where: short stacking energy: -267.349 Base-Backbone interact. energy: -2.354 local terms energy: -328.025901 where: bonds (distance) C4'-P energy: -80.001 bonds (distance) P-C4' energy: -83.366 flat angles C4'-P-C4' energy: -70.949 flat angles P-C4'-P energy: -44.367 tors. eta vs tors. theta energy: -49.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -723.367941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.367941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.367941 (E_RNA) where: Base-Base interactions energy: -405.808 where: short stacking energy: -219.174 Base-Backbone interact. energy: -1.407 local terms energy: -316.153201 where: bonds (distance) C4'-P energy: -73.705 bonds (distance) P-C4' energy: -82.914 flat angles C4'-P-C4' energy: -73.435 flat angles P-C4'-P energy: -44.195 tors. eta vs tors. theta energy: -41.904 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: 6 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -663.797867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.797867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.797867 (E_RNA) where: Base-Base interactions energy: -361.595 where: short stacking energy: -210.988 Base-Backbone interact. energy: -2.770 local terms energy: -299.432559 where: bonds (distance) C4'-P energy: -63.671 bonds (distance) P-C4' energy: -76.595 flat angles C4'-P-C4' energy: -70.367 flat angles P-C4'-P energy: -49.731 tors. eta vs tors. theta energy: -39.068 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: 8 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -586.451711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.451711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.451711 (E_RNA) where: Base-Base interactions energy: -304.064 where: short stacking energy: -184.445 Base-Backbone interact. energy: 2.800 local terms energy: -285.187992 where: bonds (distance) C4'-P energy: -67.534 bonds (distance) P-C4' energy: -74.744 flat angles C4'-P-C4' energy: -76.442 flat angles P-C4'-P energy: -49.525 tors. eta vs tors. theta energy: -16.942 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: 4 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -506.134826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.134826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.134826 (E_RNA) where: Base-Base interactions energy: -236.000 where: short stacking energy: -169.553 Base-Backbone interact. energy: -0.790 local terms energy: -269.344895 where: bonds (distance) C4'-P energy: -57.754 bonds (distance) P-C4' energy: -72.547 flat angles C4'-P-C4' energy: -77.133 flat angles P-C4'-P energy: -38.986 tors. eta vs tors. theta energy: -22.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -455.845565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.845565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.845565 (E_RNA) where: Base-Base interactions energy: -212.825 where: short stacking energy: -144.625 Base-Backbone interact. energy: -1.077 local terms energy: -241.943368 where: bonds (distance) C4'-P energy: -67.028 bonds (distance) P-C4' energy: -73.631 flat angles C4'-P-C4' energy: -65.118 flat angles P-C4'-P energy: -37.145 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: 9, replica: 7 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -506.565147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.565147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.565147 (E_RNA) where: Base-Base interactions energy: -256.908 where: short stacking energy: -128.482 Base-Backbone interact. energy: -0.365 local terms energy: -249.291610 where: bonds (distance) C4'-P energy: -70.007 bonds (distance) P-C4' energy: -72.826 flat angles C4'-P-C4' energy: -63.770 flat angles P-C4'-P energy: -31.942 tors. eta vs tors. theta energy: -10.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -376.562325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.562325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.562325 (E_RNA) where: Base-Base interactions energy: -167.249 where: short stacking energy: -82.781 Base-Backbone interact. energy: 5.688 local terms energy: -215.001511 where: bonds (distance) C4'-P energy: -62.490 bonds (distance) P-C4' energy: -65.908 flat angles C4'-P-C4' energy: -59.993 flat angles P-C4'-P energy: -45.907 tors. eta vs tors. theta energy: 19.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -915.766985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.766985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.766985 (E_RNA) where: Base-Base interactions energy: -534.947 where: short stacking energy: -344.974 Base-Backbone interact. energy: -1.213 local terms energy: -379.606837 where: bonds (distance) C4'-P energy: -74.986 bonds (distance) P-C4' energy: -83.758 flat angles C4'-P-C4' energy: -79.244 flat angles P-C4'-P energy: -59.062 tors. eta vs tors. theta energy: -82.557 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: 2, replica: 2 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -886.145502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.145502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.145502 (E_RNA) where: Base-Base interactions energy: -536.649 where: short stacking energy: -263.764 Base-Backbone interact. energy: 0.266 local terms energy: -349.762195 where: bonds (distance) C4'-P energy: -84.341 bonds (distance) P-C4' energy: -77.048 flat angles C4'-P-C4' energy: -80.528 flat angles P-C4'-P energy: -46.750 tors. eta vs tors. theta energy: -61.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -858.985370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.985370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.985370 (E_RNA) where: Base-Base interactions energy: -499.650 where: short stacking energy: -265.439 Base-Backbone interact. energy: 0.738 local terms energy: -360.073409 where: bonds (distance) C4'-P energy: -82.565 bonds (distance) P-C4' energy: -80.755 flat angles C4'-P-C4' energy: -86.044 flat angles P-C4'-P energy: -47.668 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: 4, replica: 6 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -794.112610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.112610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.112610 (E_RNA) where: Base-Base interactions energy: -452.354 where: short stacking energy: -266.423 Base-Backbone interact. energy: -2.261 local terms energy: -339.497328 where: bonds (distance) C4'-P energy: -80.845 bonds (distance) P-C4' energy: -73.949 flat angles C4'-P-C4' energy: -87.121 flat angles P-C4'-P energy: -37.987 tors. eta vs tors. theta energy: -59.595 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: 5 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -711.834648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.834648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.834648 (E_RNA) where: Base-Base interactions energy: -415.557 where: short stacking energy: -229.481 Base-Backbone interact. energy: -1.974 local terms energy: -294.303622 where: bonds (distance) C4'-P energy: -81.273 bonds (distance) P-C4' energy: -66.661 flat angles C4'-P-C4' energy: -66.247 flat angles P-C4'-P energy: -43.782 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: 6, replica: 8 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -592.838615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.838615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.838615 (E_RNA) where: Base-Base interactions energy: -292.720 where: short stacking energy: -176.705 Base-Backbone interact. energy: -1.734 local terms energy: -298.384788 where: bonds (distance) C4'-P energy: -76.556 bonds (distance) P-C4' energy: -70.151 flat angles C4'-P-C4' energy: -73.978 flat angles P-C4'-P energy: -46.418 tors. eta vs tors. theta energy: -31.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -540.403869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.403869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.403869 (E_RNA) where: Base-Base interactions energy: -281.446 where: short stacking energy: -195.448 Base-Backbone interact. energy: -1.333 local terms energy: -257.625476 where: bonds (distance) C4'-P energy: -51.638 bonds (distance) P-C4' energy: -79.603 flat angles C4'-P-C4' energy: -62.507 flat angles P-C4'-P energy: -33.425 tors. eta vs tors. theta energy: -30.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -478.901512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.901512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.901512 (E_RNA) where: Base-Base interactions energy: -234.225 where: short stacking energy: -145.527 Base-Backbone interact. energy: 0.731 local terms energy: -245.407540 where: bonds (distance) C4'-P energy: -74.845 bonds (distance) P-C4' energy: -57.314 flat angles C4'-P-C4' energy: -66.228 flat angles P-C4'-P energy: -41.511 tors. eta vs tors. theta energy: -5.510 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: 9 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -508.997261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.997261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.997261 (E_RNA) where: Base-Base interactions energy: -281.110 where: short stacking energy: -145.740 Base-Backbone interact. energy: -1.979 local terms energy: -225.907537 where: bonds (distance) C4'-P energy: -62.560 bonds (distance) P-C4' energy: -69.358 flat angles C4'-P-C4' energy: -51.973 flat angles P-C4'-P energy: -34.733 tors. eta vs tors. theta energy: -7.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -376.555602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.555602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.555602 (E_RNA) where: Base-Base interactions energy: -172.808 where: short stacking energy: -104.164 Base-Backbone interact. energy: -0.178 local terms energy: -203.570151 where: bonds (distance) C4'-P energy: -81.119 bonds (distance) P-C4' energy: -47.305 flat angles C4'-P-C4' energy: -56.630 flat angles P-C4'-P energy: -34.283 tors. eta vs tors. theta energy: 15.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -924.876460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.876460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.876460 (E_RNA) where: Base-Base interactions energy: -538.188 where: short stacking energy: -297.603 Base-Backbone interact. energy: -0.473 local terms energy: -386.215227 where: bonds (distance) C4'-P energy: -86.284 bonds (distance) P-C4' energy: -80.613 flat angles C4'-P-C4' energy: -85.490 flat angles P-C4'-P energy: -60.972 tors. eta vs tors. theta energy: -72.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -926.717015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.717015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.717015 (E_RNA) where: Base-Base interactions energy: -530.538 where: short stacking energy: -299.663 Base-Backbone interact. energy: -0.168 local terms energy: -396.011302 where: bonds (distance) C4'-P energy: -88.498 bonds (distance) P-C4' energy: -89.098 flat angles C4'-P-C4' energy: -84.651 flat angles P-C4'-P energy: -56.259 tors. eta vs tors. theta energy: -77.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -877.038169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.038169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.038169 (E_RNA) where: Base-Base interactions energy: -518.139 where: short stacking energy: -280.793 Base-Backbone interact. energy: -0.002 local terms energy: -358.896952 where: bonds (distance) C4'-P energy: -84.735 bonds (distance) P-C4' energy: -79.090 flat angles C4'-P-C4' energy: -90.940 flat angles P-C4'-P energy: -44.574 tors. eta vs tors. theta energy: -59.558 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: 6 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -821.028049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.028049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.028049 (E_RNA) where: Base-Base interactions energy: -496.900 where: short stacking energy: -221.584 Base-Backbone interact. energy: -2.621 local terms energy: -321.506387 where: bonds (distance) C4'-P energy: -73.190 bonds (distance) P-C4' energy: -69.493 flat angles C4'-P-C4' energy: -77.140 flat angles P-C4'-P energy: -48.135 tors. eta vs tors. theta energy: -53.549 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: 5 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -688.927406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.927406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.927406 (E_RNA) where: Base-Base interactions energy: -358.013 where: short stacking energy: -210.276 Base-Backbone interact. energy: 0.018 local terms energy: -330.932392 where: bonds (distance) C4'-P energy: -76.219 bonds (distance) P-C4' energy: -69.067 flat angles C4'-P-C4' energy: -80.329 flat angles P-C4'-P energy: -61.013 tors. eta vs tors. theta energy: -44.303 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: 10 Temperature: 1.150000 Total energy: -645.345536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.345536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.345536 (E_RNA) where: Base-Base interactions energy: -353.767 where: short stacking energy: -206.294 Base-Backbone interact. energy: -1.314 local terms energy: -290.264037 where: bonds (distance) C4'-P energy: -67.599 bonds (distance) P-C4' energy: -77.121 flat angles C4'-P-C4' energy: -70.136 flat angles P-C4'-P energy: -31.594 tors. eta vs tors. theta energy: -43.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -519.614594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.614594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.614594 (E_RNA) where: Base-Base interactions energy: -263.227 where: short stacking energy: -152.658 Base-Backbone interact. energy: -1.251 local terms energy: -255.136766 where: bonds (distance) C4'-P energy: -78.416 bonds (distance) P-C4' energy: -54.839 flat angles C4'-P-C4' energy: -60.453 flat angles P-C4'-P energy: -43.890 tors. eta vs tors. theta energy: -17.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -470.391200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.391200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.391200 (E_RNA) where: Base-Base interactions energy: -228.248 where: short stacking energy: -140.395 Base-Backbone interact. energy: -1.999 local terms energy: -240.143703 where: bonds (distance) C4'-P energy: -56.795 bonds (distance) P-C4' energy: -82.066 flat angles C4'-P-C4' energy: -63.170 flat angles P-C4'-P energy: -38.314 tors. eta vs tors. theta energy: 0.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -368.532773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.532773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.532773 (E_RNA) where: Base-Base interactions energy: -124.021 where: short stacking energy: -101.881 Base-Backbone interact. energy: -1.581 local terms energy: -242.930891 where: bonds (distance) C4'-P energy: -66.173 bonds (distance) P-C4' energy: -88.983 flat angles C4'-P-C4' energy: -60.877 flat angles P-C4'-P energy: -24.606 tors. eta vs tors. theta energy: -2.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -413.652279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.652279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.652279 (E_RNA) where: Base-Base interactions energy: -193.333 where: short stacking energy: -120.496 Base-Backbone interact. energy: -0.893 local terms energy: -219.426470 where: bonds (distance) C4'-P energy: -61.352 bonds (distance) P-C4' energy: -68.577 flat angles C4'-P-C4' energy: -51.762 flat angles P-C4'-P energy: -37.134 tors. eta vs tors. theta energy: -0.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -958.407856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.407856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.407856 (E_RNA) where: Base-Base interactions energy: -570.565 where: short stacking energy: -325.090 Base-Backbone interact. energy: -0.763 local terms energy: -387.079743 where: bonds (distance) C4'-P energy: -75.844 bonds (distance) P-C4' energy: -89.151 flat angles C4'-P-C4' energy: -85.906 flat angles P-C4'-P energy: -59.232 tors. eta vs tors. theta energy: -76.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -901.594570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.594570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.594570 (E_RNA) where: Base-Base interactions energy: -523.795 where: short stacking energy: -294.233 Base-Backbone interact. energy: -3.668 local terms energy: -374.131033 where: bonds (distance) C4'-P energy: -76.892 bonds (distance) P-C4' energy: -71.859 flat angles C4'-P-C4' energy: -85.593 flat angles P-C4'-P energy: -59.025 tors. eta vs tors. theta energy: -80.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -918.972748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.972748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.972748 (E_RNA) where: Base-Base interactions energy: -550.955 where: short stacking energy: -296.476 Base-Backbone interact. energy: -3.621 local terms energy: -364.397579 where: bonds (distance) C4'-P energy: -83.790 bonds (distance) P-C4' energy: -74.014 flat angles C4'-P-C4' energy: -86.132 flat angles P-C4'-P energy: -54.297 tors. eta vs tors. theta energy: -66.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -792.321755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.321755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.321755 (E_RNA) where: Base-Base interactions energy: -472.029 where: short stacking energy: -210.542 Base-Backbone interact. energy: -0.536 local terms energy: -319.756807 where: bonds (distance) C4'-P energy: -77.762 bonds (distance) P-C4' energy: -76.892 flat angles C4'-P-C4' energy: -81.221 flat angles P-C4'-P energy: -45.828 tors. eta vs tors. theta energy: -38.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -715.524979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.524979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.524979 (E_RNA) where: Base-Base interactions energy: -414.035 where: short stacking energy: -185.711 Base-Backbone interact. energy: -1.266 local terms energy: -300.223490 where: bonds (distance) C4'-P energy: -75.242 bonds (distance) P-C4' energy: -85.270 flat angles C4'-P-C4' energy: -80.767 flat angles P-C4'-P energy: -26.556 tors. eta vs tors. theta energy: -32.389 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: 8 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -689.018045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.018045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.018045 (E_RNA) where: Base-Base interactions energy: -395.215 where: short stacking energy: -209.236 Base-Backbone interact. energy: -1.704 local terms energy: -292.098957 where: bonds (distance) C4'-P energy: -76.252 bonds (distance) P-C4' energy: -72.246 flat angles C4'-P-C4' energy: -67.215 flat angles P-C4'-P energy: -43.312 tors. eta vs tors. theta energy: -33.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -559.319199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.319199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.319199 (E_RNA) where: Base-Base interactions energy: -291.781 where: short stacking energy: -182.226 Base-Backbone interact. energy: -1.105 local terms energy: -266.433694 where: bonds (distance) C4'-P energy: -64.073 bonds (distance) P-C4' energy: -84.526 flat angles C4'-P-C4' energy: -71.770 flat angles P-C4'-P energy: -28.754 tors. eta vs tors. theta energy: -17.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -547.581209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.581209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.581209 (E_RNA) where: Base-Base interactions energy: -285.898 where: short stacking energy: -176.259 Base-Backbone interact. energy: -0.596 local terms energy: -261.087700 where: bonds (distance) C4'-P energy: -70.012 bonds (distance) P-C4' energy: -62.480 flat angles C4'-P-C4' energy: -77.319 flat angles P-C4'-P energy: -34.383 tors. eta vs tors. theta energy: -16.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -370.558332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.558332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.558332 (E_RNA) where: Base-Base interactions energy: -140.535 where: short stacking energy: -128.508 Base-Backbone interact. energy: -0.538 local terms energy: -229.485420 where: bonds (distance) C4'-P energy: -66.744 bonds (distance) P-C4' energy: -63.255 flat angles C4'-P-C4' energy: -66.602 flat angles P-C4'-P energy: -38.641 tors. eta vs tors. theta energy: 5.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -412.765054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.765054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.765054 (E_RNA) where: Base-Base interactions energy: -192.614 where: short stacking energy: -115.021 Base-Backbone interact. energy: -1.020 local terms energy: -219.131483 where: bonds (distance) C4'-P energy: -67.565 bonds (distance) P-C4' energy: -62.931 flat angles C4'-P-C4' energy: -49.451 flat angles P-C4'-P energy: -43.482 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: 1, replica: 2 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -981.718145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.718145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.718145 (E_RNA) where: Base-Base interactions energy: -585.277 where: short stacking energy: -334.367 Base-Backbone interact. energy: -1.460 local terms energy: -394.980952 where: bonds (distance) C4'-P energy: -83.465 bonds (distance) P-C4' energy: -75.996 flat angles C4'-P-C4' energy: -89.061 flat angles P-C4'-P energy: -64.865 tors. eta vs tors. theta energy: -81.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -931.076514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.076514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.076514 (E_RNA) where: Base-Base interactions energy: -562.165 where: short stacking energy: -339.685 Base-Backbone interact. energy: -1.973 local terms energy: -366.938533 where: bonds (distance) C4'-P energy: -76.842 bonds (distance) P-C4' energy: -82.166 flat angles C4'-P-C4' energy: -87.998 flat angles P-C4'-P energy: -46.390 tors. eta vs tors. theta energy: -73.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -923.536615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.536615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.536615 (E_RNA) where: Base-Base interactions energy: -547.318 where: short stacking energy: -279.533 Base-Backbone interact. energy: 0.645 local terms energy: -376.863453 where: bonds (distance) C4'-P energy: -79.669 bonds (distance) P-C4' energy: -83.400 flat angles C4'-P-C4' energy: -93.027 flat angles P-C4'-P energy: -52.511 tors. eta vs tors. theta energy: -68.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -847.061985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.061985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.061985 (E_RNA) where: Base-Base interactions energy: -516.200 where: short stacking energy: -274.418 Base-Backbone interact. energy: -2.062 local terms energy: -328.799474 where: bonds (distance) C4'-P energy: -72.368 bonds (distance) P-C4' energy: -70.063 flat angles C4'-P-C4' energy: -74.623 flat angles P-C4'-P energy: -51.000 tors. eta vs tors. theta energy: -60.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -716.113777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.113777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.113777 (E_RNA) where: Base-Base interactions energy: -383.517 where: short stacking energy: -218.616 Base-Backbone interact. energy: -1.376 local terms energy: -331.220487 where: bonds (distance) C4'-P energy: -66.652 bonds (distance) P-C4' energy: -91.095 flat angles C4'-P-C4' energy: -75.496 flat angles P-C4'-P energy: -57.961 tors. eta vs tors. theta energy: -40.017 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: 8 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -674.207427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.207427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.207427 (E_RNA) where: Base-Base interactions energy: -373.927 where: short stacking energy: -192.243 Base-Backbone interact. energy: -3.152 local terms energy: -297.129295 where: bonds (distance) C4'-P energy: -77.563 bonds (distance) P-C4' energy: -66.853 flat angles C4'-P-C4' energy: -62.008 flat angles P-C4'-P energy: -51.408 tors. eta vs tors. theta energy: -39.298 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: 12 Temperature: 1.200000 Total energy: -588.676226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.676226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.676226 (E_RNA) where: Base-Base interactions energy: -310.125 where: short stacking energy: -183.259 Base-Backbone interact. energy: 2.741 local terms energy: -281.292465 where: bonds (distance) C4'-P energy: -65.799 bonds (distance) P-C4' energy: -76.261 flat angles C4'-P-C4' energy: -67.043 flat angles P-C4'-P energy: -51.520 tors. eta vs tors. theta energy: -20.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -513.672177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.672177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.672177 (E_RNA) where: Base-Base interactions energy: -259.545 where: short stacking energy: -159.986 Base-Backbone interact. energy: 3.159 local terms energy: -257.286699 where: bonds (distance) C4'-P energy: -73.516 bonds (distance) P-C4' energy: -78.089 flat angles C4'-P-C4' energy: -56.531 flat angles P-C4'-P energy: -31.446 tors. eta vs tors. theta energy: -17.705 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: 9 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -487.946171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.946171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.946171 (E_RNA) where: Base-Base interactions energy: -244.929 where: short stacking energy: -145.805 Base-Backbone interact. energy: -1.151 local terms energy: -241.866015 where: bonds (distance) C4'-P energy: -62.946 bonds (distance) P-C4' energy: -73.017 flat angles C4'-P-C4' energy: -59.139 flat angles P-C4'-P energy: -37.087 tors. eta vs tors. theta energy: -9.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -313.038011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.038011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.038011 (E_RNA) where: Base-Base interactions energy: -92.390 where: short stacking energy: -76.051 Base-Backbone interact. energy: -0.755 local terms energy: -219.892395 where: bonds (distance) C4'-P energy: -69.178 bonds (distance) P-C4' energy: -72.264 flat angles C4'-P-C4' energy: -64.625 flat angles P-C4'-P energy: -24.931 tors. eta vs tors. theta energy: 11.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -1000.122860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.122860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.122860 (E_RNA) where: Base-Base interactions energy: -606.617 where: short stacking energy: -330.685 Base-Backbone interact. energy: -2.130 local terms energy: -391.375740 where: bonds (distance) C4'-P energy: -78.059 bonds (distance) P-C4' energy: -80.938 flat angles C4'-P-C4' energy: -90.265 flat angles P-C4'-P energy: -57.040 tors. eta vs tors. theta energy: -85.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -1002.655193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.655193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.655193 (E_RNA) where: Base-Base interactions energy: -608.563 where: short stacking energy: -348.789 Base-Backbone interact. energy: -2.370 local terms energy: -391.722106 where: bonds (distance) C4'-P energy: -86.403 bonds (distance) P-C4' energy: -71.894 flat angles C4'-P-C4' energy: -89.957 flat angles P-C4'-P energy: -55.488 tors. eta vs tors. theta energy: -87.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -900.307128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.307128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.307128 (E_RNA) where: Base-Base interactions energy: -544.308 where: short stacking energy: -274.423 Base-Backbone interact. energy: -0.362 local terms energy: -355.636752 where: bonds (distance) C4'-P energy: -73.692 bonds (distance) P-C4' energy: -77.624 flat angles C4'-P-C4' energy: -85.754 flat angles P-C4'-P energy: -51.888 tors. eta vs tors. theta energy: -66.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -856.730151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.730151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.730151 (E_RNA) where: Base-Base interactions energy: -505.462 where: short stacking energy: -263.255 Base-Backbone interact. energy: -1.642 local terms energy: -349.625933 where: bonds (distance) C4'-P energy: -84.062 bonds (distance) P-C4' energy: -62.909 flat angles C4'-P-C4' energy: -83.712 flat angles P-C4'-P energy: -54.969 tors. eta vs tors. theta energy: -63.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -744.494725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.494725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.494725 (E_RNA) where: Base-Base interactions energy: -446.977 where: short stacking energy: -234.897 Base-Backbone interact. energy: -1.659 local terms energy: -295.858590 where: bonds (distance) C4'-P energy: -63.995 bonds (distance) P-C4' energy: -74.159 flat angles C4'-P-C4' energy: -83.971 flat angles P-C4'-P energy: -31.777 tors. eta vs tors. theta energy: -41.958 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: 8 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -662.390534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.390534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.390534 (E_RNA) where: Base-Base interactions energy: -361.363 where: short stacking energy: -196.376 Base-Backbone interact. energy: -1.772 local terms energy: -299.256078 where: bonds (distance) C4'-P energy: -68.934 bonds (distance) P-C4' energy: -78.364 flat angles C4'-P-C4' energy: -83.933 flat angles P-C4'-P energy: -39.313 tors. eta vs tors. theta energy: -28.711 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: 7 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -594.806200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.806200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.806200 (E_RNA) where: Base-Base interactions energy: -318.667 where: short stacking energy: -186.202 Base-Backbone interact. energy: 0.738 local terms energy: -276.876715 where: bonds (distance) C4'-P energy: -63.671 bonds (distance) P-C4' energy: -61.804 flat angles C4'-P-C4' energy: -71.186 flat angles P-C4'-P energy: -59.779 tors. eta vs tors. theta energy: -20.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -497.512874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.512874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.512874 (E_RNA) where: Base-Base interactions energy: -233.297 where: short stacking energy: -124.877 Base-Backbone interact. energy: -0.732 local terms energy: -263.483287 where: bonds (distance) C4'-P energy: -79.042 bonds (distance) P-C4' energy: -72.858 flat angles C4'-P-C4' energy: -60.496 flat angles P-C4'-P energy: -41.829 tors. eta vs tors. theta energy: -9.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -449.320833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.320833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.320833 (E_RNA) where: Base-Base interactions energy: -217.799 where: short stacking energy: -124.911 Base-Backbone interact. energy: -1.840 local terms energy: -229.681815 where: bonds (distance) C4'-P energy: -57.952 bonds (distance) P-C4' energy: -68.291 flat angles C4'-P-C4' energy: -60.920 flat angles P-C4'-P energy: -33.146 tors. eta vs tors. theta energy: -9.373 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: 10 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -313.496095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.496095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.496095 (E_RNA) where: Base-Base interactions energy: -104.068 where: short stacking energy: -83.809 Base-Backbone interact. energy: -1.630 local terms energy: -207.798871 where: bonds (distance) C4'-P energy: -60.332 bonds (distance) P-C4' energy: -68.174 flat angles C4'-P-C4' energy: -58.264 flat angles P-C4'-P energy: -33.511 tors. eta vs tors. theta energy: 12.482 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: 1 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -996.083162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.083162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.083162 (E_RNA) where: Base-Base interactions energy: -596.993 where: short stacking energy: -327.521 Base-Backbone interact. energy: -1.233 local terms energy: -397.857196 where: bonds (distance) C4'-P energy: -79.016 bonds (distance) P-C4' energy: -89.551 flat angles C4'-P-C4' energy: -80.004 flat angles P-C4'-P energy: -60.378 tors. eta vs tors. theta energy: -88.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -956.001816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.001816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.001816 (E_RNA) where: Base-Base interactions energy: -562.338 where: short stacking energy: -319.589 Base-Backbone interact. energy: -1.704 local terms energy: -391.959688 where: bonds (distance) C4'-P energy: -84.977 bonds (distance) P-C4' energy: -86.179 flat angles C4'-P-C4' energy: -85.595 flat angles P-C4'-P energy: -54.075 tors. eta vs tors. theta energy: -81.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -927.558327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.558327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.558327 (E_RNA) where: Base-Base interactions energy: -555.113 where: short stacking energy: -283.415 Base-Backbone interact. energy: -1.182 local terms energy: -371.264142 where: bonds (distance) C4'-P energy: -78.763 bonds (distance) P-C4' energy: -87.561 flat angles C4'-P-C4' energy: -92.133 flat angles P-C4'-P energy: -45.947 tors. eta vs tors. theta energy: -66.861 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: 3 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -830.656197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.656197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.656197 (E_RNA) where: Base-Base interactions energy: -492.231 where: short stacking energy: -262.470 Base-Backbone interact. energy: 0.599 local terms energy: -339.024425 where: bonds (distance) C4'-P energy: -73.404 bonds (distance) P-C4' energy: -69.640 flat angles C4'-P-C4' energy: -86.492 flat angles P-C4'-P energy: -55.679 tors. eta vs tors. theta energy: -53.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -796.251452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.251452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.251452 (E_RNA) where: Base-Base interactions energy: -484.637 where: short stacking energy: -255.808 Base-Backbone interact. energy: -1.724 local terms energy: -309.890555 where: bonds (distance) C4'-P energy: -66.394 bonds (distance) P-C4' energy: -77.893 flat angles C4'-P-C4' energy: -76.982 flat angles P-C4'-P energy: -39.304 tors. eta vs tors. theta energy: -49.318 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: 14 Temperature: 1.150000 Total energy: -662.194856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.194856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.194856 (E_RNA) where: Base-Base interactions energy: -366.067 where: short stacking energy: -181.289 Base-Backbone interact. energy: 0.838 local terms energy: -296.965797 where: bonds (distance) C4'-P energy: -70.363 bonds (distance) P-C4' energy: -78.673 flat angles C4'-P-C4' energy: -85.810 flat angles P-C4'-P energy: -33.354 tors. eta vs tors. theta energy: -28.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -688.646442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.646442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.646442 (E_RNA) where: Base-Base interactions energy: -411.939 where: short stacking energy: -195.229 Base-Backbone interact. energy: 2.828 local terms energy: -279.534903 where: bonds (distance) C4'-P energy: -59.082 bonds (distance) P-C4' energy: -79.423 flat angles C4'-P-C4' energy: -57.458 flat angles P-C4'-P energy: -53.994 tors. eta vs tors. theta energy: -29.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -479.330743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.330743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.330743 (E_RNA) where: Base-Base interactions energy: -241.058 where: short stacking energy: -140.736 Base-Backbone interact. energy: 1.048 local terms energy: -239.319853 where: bonds (distance) C4'-P energy: -52.227 bonds (distance) P-C4' energy: -77.404 flat angles C4'-P-C4' energy: -50.349 flat angles P-C4'-P energy: -41.288 tors. eta vs tors. theta energy: -18.051 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: 4 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -393.891770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.891770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.891770 (E_RNA) where: Base-Base interactions energy: -157.450 where: short stacking energy: -106.838 Base-Backbone interact. energy: 2.409 local terms energy: -238.850354 where: bonds (distance) C4'-P energy: -72.129 bonds (distance) P-C4' energy: -82.770 flat angles C4'-P-C4' energy: -51.472 flat angles P-C4'-P energy: -32.268 tors. eta vs tors. theta energy: -0.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -330.851823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.851823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.851823 (E_RNA) where: Base-Base interactions energy: -105.219 where: short stacking energy: -98.860 Base-Backbone interact. energy: 2.238 local terms energy: -227.870416 where: bonds (distance) C4'-P energy: -76.267 bonds (distance) P-C4' energy: -76.833 flat angles C4'-P-C4' energy: -55.859 flat angles P-C4'-P energy: -27.779 tors. eta vs tors. theta energy: 8.869 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: 1 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -1007.675677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.675677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.675677 (E_RNA) where: Base-Base interactions energy: -627.357 where: short stacking energy: -321.964 Base-Backbone interact. energy: -1.720 local terms energy: -378.598427 where: bonds (distance) C4'-P energy: -82.602 bonds (distance) P-C4' energy: -70.034 flat angles C4'-P-C4' energy: -88.030 flat angles P-C4'-P energy: -65.918 tors. eta vs tors. theta energy: -72.015 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: 2, replica: 2 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -948.438755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.438755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.438755 (E_RNA) where: Base-Base interactions energy: -560.522 where: short stacking energy: -317.945 Base-Backbone interact. energy: 0.311 local terms energy: -388.228247 where: bonds (distance) C4'-P energy: -82.212 bonds (distance) P-C4' energy: -81.336 flat angles C4'-P-C4' energy: -77.477 flat angles P-C4'-P energy: -63.778 tors. eta vs tors. theta energy: -83.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -891.488641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.488641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.488641 (E_RNA) where: Base-Base interactions energy: -535.867 where: short stacking energy: -273.768 Base-Backbone interact. energy: -1.569 local terms energy: -354.052879 where: bonds (distance) C4'-P energy: -69.107 bonds (distance) P-C4' energy: -80.925 flat angles C4'-P-C4' energy: -90.053 flat angles P-C4'-P energy: -48.744 tors. eta vs tors. theta energy: -65.224 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: 5 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -873.450957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.450957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.450957 (E_RNA) where: Base-Base interactions energy: -532.125 where: short stacking energy: -252.955 Base-Backbone interact. energy: -0.642 local terms energy: -340.684340 where: bonds (distance) C4'-P energy: -75.179 bonds (distance) P-C4' energy: -81.756 flat angles C4'-P-C4' energy: -81.615 flat angles P-C4'-P energy: -55.961 tors. eta vs tors. theta energy: -46.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -766.245894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.245894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.245894 (E_RNA) where: Base-Base interactions energy: -452.770 where: short stacking energy: -237.887 Base-Backbone interact. energy: -5.318 local terms energy: -308.157439 where: bonds (distance) C4'-P energy: -64.938 bonds (distance) P-C4' energy: -82.409 flat angles C4'-P-C4' energy: -80.512 flat angles P-C4'-P energy: -44.508 tors. eta vs tors. theta energy: -35.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -738.885042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.885042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.885042 (E_RNA) where: Base-Base interactions energy: -425.834 where: short stacking energy: -221.421 Base-Backbone interact. energy: -1.439 local terms energy: -311.612468 where: bonds (distance) C4'-P energy: -73.290 bonds (distance) P-C4' energy: -80.707 flat angles C4'-P-C4' energy: -69.900 flat angles P-C4'-P energy: -44.541 tors. eta vs tors. theta energy: -43.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -652.063374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.063374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.063374 (E_RNA) where: Base-Base interactions energy: -349.848 where: short stacking energy: -182.662 Base-Backbone interact. energy: 2.886 local terms energy: -305.101458 where: bonds (distance) C4'-P energy: -69.874 bonds (distance) P-C4' energy: -74.700 flat angles C4'-P-C4' energy: -72.338 flat angles P-C4'-P energy: -49.782 tors. eta vs tors. theta energy: -38.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -507.150187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.150187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.150187 (E_RNA) where: Base-Base interactions energy: -229.102 where: short stacking energy: -139.704 Base-Backbone interact. energy: -1.231 local terms energy: -276.817070 where: bonds (distance) C4'-P energy: -85.014 bonds (distance) P-C4' energy: -78.408 flat angles C4'-P-C4' energy: -65.069 flat angles P-C4'-P energy: -32.922 tors. eta vs tors. theta energy: -15.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -443.419423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.419423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.419423 (E_RNA) where: Base-Base interactions energy: -195.511 where: short stacking energy: -139.029 Base-Backbone interact. energy: -0.371 local terms energy: -247.537067 where: bonds (distance) C4'-P energy: -70.404 bonds (distance) P-C4' energy: -80.259 flat angles C4'-P-C4' energy: -62.454 flat angles P-C4'-P energy: -32.510 tors. eta vs tors. theta energy: -1.910 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: 10 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -342.702325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.702325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.702325 (E_RNA) where: Base-Base interactions energy: -120.318 where: short stacking energy: -97.218 Base-Backbone interact. energy: -0.927 local terms energy: -221.456973 where: bonds (distance) C4'-P energy: -76.055 bonds (distance) P-C4' energy: -67.141 flat angles C4'-P-C4' energy: -55.513 flat angles P-C4'-P energy: -28.706 tors. eta vs tors. theta energy: 5.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -1059.336417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.336417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.336417 (E_RNA) where: Base-Base interactions energy: -643.306 where: short stacking energy: -331.006 Base-Backbone interact. energy: -1.764 local terms energy: -414.266610 where: bonds (distance) C4'-P energy: -75.957 bonds (distance) P-C4' energy: -91.106 flat angles C4'-P-C4' energy: -94.876 flat angles P-C4'-P energy: -62.465 tors. eta vs tors. theta energy: -89.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -970.620074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.620074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.620074 (E_RNA) where: Base-Base interactions energy: -600.834 where: short stacking energy: -314.074 Base-Backbone interact. energy: -2.033 local terms energy: -367.753307 where: bonds (distance) C4'-P energy: -79.098 bonds (distance) P-C4' energy: -75.080 flat angles C4'-P-C4' energy: -84.997 flat angles P-C4'-P energy: -48.071 tors. eta vs tors. theta energy: -80.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -956.121066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.121066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.121066 (E_RNA) where: Base-Base interactions energy: -604.550 where: short stacking energy: -273.385 Base-Backbone interact. energy: -1.884 local terms energy: -349.687310 where: bonds (distance) C4'-P energy: -62.366 bonds (distance) P-C4' energy: -88.376 flat angles C4'-P-C4' energy: -83.006 flat angles P-C4'-P energy: -46.455 tors. eta vs tors. theta energy: -69.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -874.571754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.571754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.571754 (E_RNA) where: Base-Base interactions energy: -552.838 where: short stacking energy: -264.654 Base-Backbone interact. energy: -0.963 local terms energy: -320.770152 where: bonds (distance) C4'-P energy: -81.094 bonds (distance) P-C4' energy: -74.184 flat angles C4'-P-C4' energy: -75.372 flat angles P-C4'-P energy: -44.889 tors. eta vs tors. theta energy: -45.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -786.029498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.029498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.029498 (E_RNA) where: Base-Base interactions energy: -471.143 where: short stacking energy: -217.030 Base-Backbone interact. energy: -0.710 local terms energy: -314.176611 where: bonds (distance) C4'-P energy: -86.080 bonds (distance) P-C4' energy: -66.003 flat angles C4'-P-C4' energy: -76.158 flat angles P-C4'-P energy: -42.286 tors. eta vs tors. theta energy: -43.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -793.421071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.421071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.421071 (E_RNA) where: Base-Base interactions energy: -481.562 where: short stacking energy: -214.385 Base-Backbone interact. energy: -1.809 local terms energy: -310.049434 where: bonds (distance) C4'-P energy: -69.395 bonds (distance) P-C4' energy: -70.667 flat angles C4'-P-C4' energy: -69.187 flat angles P-C4'-P energy: -57.164 tors. eta vs tors. theta energy: -43.637 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: 16 Temperature: 1.200000 Total energy: -656.357009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.357009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.357009 (E_RNA) where: Base-Base interactions energy: -387.383 where: short stacking energy: -199.209 Base-Backbone interact. energy: 1.754 local terms energy: -270.728186 where: bonds (distance) C4'-P energy: -64.423 bonds (distance) P-C4' energy: -64.307 flat angles C4'-P-C4' energy: -71.930 flat angles P-C4'-P energy: -31.307 tors. eta vs tors. theta energy: -38.762 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: 9 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -515.757621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.757621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.757621 (E_RNA) where: Base-Base interactions energy: -247.587 where: short stacking energy: -157.454 Base-Backbone interact. energy: 2.462 local terms energy: -270.632480 where: bonds (distance) C4'-P energy: -55.688 bonds (distance) P-C4' energy: -77.243 flat angles C4'-P-C4' energy: -73.428 flat angles P-C4'-P energy: -39.574 tors. eta vs tors. theta energy: -24.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -391.530541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.530541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.530541 (E_RNA) where: Base-Base interactions energy: -176.634 where: short stacking energy: -129.647 Base-Backbone interact. energy: -0.012 local terms energy: -214.883735 where: bonds (distance) C4'-P energy: -55.066 bonds (distance) P-C4' energy: -75.641 flat angles C4'-P-C4' energy: -48.126 flat angles P-C4'-P energy: -35.873 tors. eta vs tors. theta energy: -0.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -339.491309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.491309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.491309 (E_RNA) where: Base-Base interactions energy: -109.140 where: short stacking energy: -92.674 Base-Backbone interact. energy: 0.349 local terms energy: -230.700274 where: bonds (distance) C4'-P energy: -67.267 bonds (distance) P-C4' energy: -68.925 flat angles C4'-P-C4' energy: -54.962 flat angles P-C4'-P energy: -42.142 tors. eta vs tors. theta energy: 2.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -1064.205947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.205947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.205947 (E_RNA) where: Base-Base interactions energy: -674.645 where: short stacking energy: -319.898 Base-Backbone interact. energy: -2.395 local terms energy: -387.165957 where: bonds (distance) C4'-P energy: -79.801 bonds (distance) P-C4' energy: -68.447 flat angles C4'-P-C4' energy: -97.113 flat angles P-C4'-P energy: -51.509 tors. eta vs tors. theta energy: -90.297 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: 2 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -967.052003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.052003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.052003 (E_RNA) where: Base-Base interactions energy: -583.270 where: short stacking energy: -296.820 Base-Backbone interact. energy: 0.188 local terms energy: -383.969304 where: bonds (distance) C4'-P energy: -86.576 bonds (distance) P-C4' energy: -78.360 flat angles C4'-P-C4' energy: -77.342 flat angles P-C4'-P energy: -57.890 tors. eta vs tors. theta energy: -83.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -910.946554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.946554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.946554 (E_RNA) where: Base-Base interactions energy: -561.145 where: short stacking energy: -271.414 Base-Backbone interact. energy: 2.173 local terms energy: -351.974291 where: bonds (distance) C4'-P energy: -73.011 bonds (distance) P-C4' energy: -83.849 flat angles C4'-P-C4' energy: -81.314 flat angles P-C4'-P energy: -54.000 tors. eta vs tors. theta energy: -59.800 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: 5 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -857.940488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.940488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.940488 (E_RNA) where: Base-Base interactions energy: -527.492 where: short stacking energy: -248.703 Base-Backbone interact. energy: 0.237 local terms energy: -330.684771 where: bonds (distance) C4'-P energy: -80.551 bonds (distance) P-C4' energy: -78.335 flat angles C4'-P-C4' energy: -71.798 flat angles P-C4'-P energy: -49.501 tors. eta vs tors. theta energy: -50.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -785.746313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.746313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.746313 (E_RNA) where: Base-Base interactions energy: -465.411 where: short stacking energy: -235.264 Base-Backbone interact. energy: -0.757 local terms energy: -319.578341 where: bonds (distance) C4'-P energy: -72.856 bonds (distance) P-C4' energy: -78.406 flat angles C4'-P-C4' energy: -64.085 flat angles P-C4'-P energy: -41.757 tors. eta vs tors. theta energy: -62.475 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: 7 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -714.163476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.163476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.163476 (E_RNA) where: Base-Base interactions energy: -400.838 where: short stacking energy: -198.943 Base-Backbone interact. energy: -2.807 local terms energy: -310.518654 where: bonds (distance) C4'-P energy: -82.080 bonds (distance) P-C4' energy: -86.428 flat angles C4'-P-C4' energy: -57.022 flat angles P-C4'-P energy: -52.709 tors. eta vs tors. theta energy: -32.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -729.765059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.765059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.765059 (E_RNA) where: Base-Base interactions energy: -424.473 where: short stacking energy: -211.577 Base-Backbone interact. energy: -2.049 local terms energy: -303.243143 where: bonds (distance) C4'-P energy: -67.974 bonds (distance) P-C4' energy: -69.632 flat angles C4'-P-C4' energy: -77.277 flat angles P-C4'-P energy: -47.827 tors. eta vs tors. theta energy: -40.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -527.413222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.413222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.413222 (E_RNA) where: Base-Base interactions energy: -282.271 where: short stacking energy: -145.176 Base-Backbone interact. energy: -2.608 local terms energy: -242.534078 where: bonds (distance) C4'-P energy: -65.851 bonds (distance) P-C4' energy: -66.589 flat angles C4'-P-C4' energy: -51.523 flat angles P-C4'-P energy: -41.524 tors. eta vs tors. theta energy: -17.046 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: 4 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -428.406277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.406277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.406277 (E_RNA) where: Base-Base interactions energy: -204.716 where: short stacking energy: -138.537 Base-Backbone interact. energy: -0.410 local terms energy: -223.279820 where: bonds (distance) C4'-P energy: -63.031 bonds (distance) P-C4' energy: -72.742 flat angles C4'-P-C4' energy: -48.535 flat angles P-C4'-P energy: -28.245 tors. eta vs tors. theta energy: -10.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -321.199410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -321.199410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -321.199410 (E_RNA) where: Base-Base interactions energy: -105.790 where: short stacking energy: -93.453 Base-Backbone interact. energy: 2.070 local terms energy: -217.479313 where: bonds (distance) C4'-P energy: -67.891 bonds (distance) P-C4' energy: -72.680 flat angles C4'-P-C4' energy: -55.356 flat angles P-C4'-P energy: -44.473 tors. eta vs tors. theta energy: 22.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -1075.724487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.724487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.724487 (E_RNA) where: Base-Base interactions energy: -671.040 where: short stacking energy: -339.449 Base-Backbone interact. energy: -2.442 local terms energy: -402.242418 where: bonds (distance) C4'-P energy: -77.120 bonds (distance) P-C4' energy: -85.224 flat angles C4'-P-C4' energy: -91.822 flat angles P-C4'-P energy: -55.676 tors. eta vs tors. theta energy: -92.400 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: 2 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -1001.007584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.007584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.007584 (E_RNA) where: Base-Base interactions energy: -601.724 where: short stacking energy: -316.482 Base-Backbone interact. energy: -2.107 local terms energy: -397.176302 where: bonds (distance) C4'-P energy: -87.326 bonds (distance) P-C4' energy: -77.955 flat angles C4'-P-C4' energy: -81.862 flat angles P-C4'-P energy: -55.813 tors. eta vs tors. theta energy: -94.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -951.924101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.924101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.924101 (E_RNA) where: Base-Base interactions energy: -607.355 where: short stacking energy: -292.969 Base-Backbone interact. energy: -2.326 local terms energy: -342.242169 where: bonds (distance) C4'-P energy: -63.934 bonds (distance) P-C4' energy: -87.605 flat angles C4'-P-C4' energy: -82.495 flat angles P-C4'-P energy: -45.284 tors. eta vs tors. theta energy: -62.925 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: 5 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -850.502367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.502367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.502367 (E_RNA) where: Base-Base interactions energy: -519.986 where: short stacking energy: -250.127 Base-Backbone interact. energy: -3.698 local terms energy: -326.818872 where: bonds (distance) C4'-P energy: -78.261 bonds (distance) P-C4' energy: -74.503 flat angles C4'-P-C4' energy: -75.569 flat angles P-C4'-P energy: -59.662 tors. eta vs tors. theta energy: -38.824 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: 5, replica: 3 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -774.604867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.604867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.604867 (E_RNA) where: Base-Base interactions energy: -467.024 where: short stacking energy: -226.305 Base-Backbone interact. energy: 4.061 local terms energy: -311.642325 where: bonds (distance) C4'-P energy: -73.844 bonds (distance) P-C4' energy: -74.191 flat angles C4'-P-C4' energy: -80.793 flat angles P-C4'-P energy: -47.505 tors. eta vs tors. theta energy: -35.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -721.358100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.358100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.358100 (E_RNA) where: Base-Base interactions energy: -418.778 where: short stacking energy: -219.456 Base-Backbone interact. energy: -0.526 local terms energy: -302.053829 where: bonds (distance) C4'-P energy: -61.419 bonds (distance) P-C4' energy: -66.309 flat angles C4'-P-C4' energy: -74.508 flat angles P-C4'-P energy: -60.792 tors. eta vs tors. theta energy: -39.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -669.570503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.570503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.570503 (E_RNA) where: Base-Base interactions energy: -372.815 where: short stacking energy: -202.198 Base-Backbone interact. energy: -1.847 local terms energy: -294.908129 where: bonds (distance) C4'-P energy: -71.842 bonds (distance) P-C4' energy: -68.134 flat angles C4'-P-C4' energy: -73.373 flat angles P-C4'-P energy: -41.670 tors. eta vs tors. theta energy: -39.889 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: 9 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -539.249889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.249889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.249889 (E_RNA) where: Base-Base interactions energy: -280.497 where: short stacking energy: -172.286 Base-Backbone interact. energy: -0.504 local terms energy: -258.248851 where: bonds (distance) C4'-P energy: -65.612 bonds (distance) P-C4' energy: -77.336 flat angles C4'-P-C4' energy: -62.441 flat angles P-C4'-P energy: -39.656 tors. eta vs tors. theta energy: -13.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -416.109314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.109314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.109314 (E_RNA) where: Base-Base interactions energy: -191.696 where: short stacking energy: -109.429 Base-Backbone interact. energy: 0.354 local terms energy: -224.766671 where: bonds (distance) C4'-P energy: -60.140 bonds (distance) P-C4' energy: -71.892 flat angles C4'-P-C4' energy: -70.139 flat angles P-C4'-P energy: -31.931 tors. eta vs tors. theta energy: 9.335 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: 10 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -347.155710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.155710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.155710 (E_RNA) where: Base-Base interactions energy: -136.761 where: short stacking energy: -100.436 Base-Backbone interact. energy: -1.783 local terms energy: -208.611799 where: bonds (distance) C4'-P energy: -57.291 bonds (distance) P-C4' energy: -71.525 flat angles C4'-P-C4' energy: -65.330 flat angles P-C4'-P energy: -19.942 tors. eta vs tors. theta energy: 5.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -1085.893796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.893796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.893796 (E_RNA) where: Base-Base interactions energy: -672.717 where: short stacking energy: -346.102 Base-Backbone interact. energy: -1.642 local terms energy: -411.535606 where: bonds (distance) C4'-P energy: -86.269 bonds (distance) P-C4' energy: -78.546 flat angles C4'-P-C4' energy: -89.255 flat angles P-C4'-P energy: -60.030 tors. eta vs tors. theta energy: -97.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -987.110745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.110745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.110745 (E_RNA) where: Base-Base interactions energy: -621.113 where: short stacking energy: -262.633 Base-Backbone interact. energy: 0.680 local terms energy: -366.678097 where: bonds (distance) C4'-P energy: -80.611 bonds (distance) P-C4' energy: -79.271 flat angles C4'-P-C4' energy: -93.694 flat angles P-C4'-P energy: -48.610 tors. eta vs tors. theta energy: -64.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -921.237513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.237513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.237513 (E_RNA) where: Base-Base interactions energy: -545.182 where: short stacking energy: -307.415 Base-Backbone interact. energy: 0.219 local terms energy: -376.274282 where: bonds (distance) C4'-P energy: -72.459 bonds (distance) P-C4' energy: -85.194 flat angles C4'-P-C4' energy: -90.922 flat angles P-C4'-P energy: -53.470 tors. eta vs tors. theta energy: -74.229 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: 5 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -848.732011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.732011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.732011 (E_RNA) where: Base-Base interactions energy: -530.184 where: short stacking energy: -259.335 Base-Backbone interact. energy: -1.279 local terms energy: -317.268599 where: bonds (distance) C4'-P energy: -72.263 bonds (distance) P-C4' energy: -72.897 flat angles C4'-P-C4' energy: -81.888 flat angles P-C4'-P energy: -39.215 tors. eta vs tors. theta energy: -51.006 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: 3 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -790.342151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.342151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.342151 (E_RNA) where: Base-Base interactions energy: -470.098 where: short stacking energy: -243.702 Base-Backbone interact. energy: -0.746 local terms energy: -319.497342 where: bonds (distance) C4'-P energy: -76.708 bonds (distance) P-C4' energy: -81.371 flat angles C4'-P-C4' energy: -71.401 flat angles P-C4'-P energy: -42.933 tors. eta vs tors. theta energy: -47.083 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: 8 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -742.841118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.841118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.841118 (E_RNA) where: Base-Base interactions energy: -431.381 where: short stacking energy: -218.837 Base-Backbone interact. energy: -0.249 local terms energy: -311.211183 where: bonds (distance) C4'-P energy: -69.948 bonds (distance) P-C4' energy: -79.569 flat angles C4'-P-C4' energy: -73.737 flat angles P-C4'-P energy: -48.782 tors. eta vs tors. theta energy: -39.176 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: 7 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -703.188215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.188215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.188215 (E_RNA) where: Base-Base interactions energy: -422.430 where: short stacking energy: -195.657 Base-Backbone interact. energy: -0.847 local terms energy: -279.911944 where: bonds (distance) C4'-P energy: -71.151 bonds (distance) P-C4' energy: -88.787 flat angles C4'-P-C4' energy: -52.687 flat angles P-C4'-P energy: -37.214 tors. eta vs tors. theta energy: -30.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -554.439953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.439953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.439953 (E_RNA) where: Base-Base interactions energy: -270.839 where: short stacking energy: -168.346 Base-Backbone interact. energy: 3.861 local terms energy: -287.461664 where: bonds (distance) C4'-P energy: -75.399 bonds (distance) P-C4' energy: -70.190 flat angles C4'-P-C4' energy: -65.820 flat angles P-C4'-P energy: -45.634 tors. eta vs tors. theta energy: -30.419 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: 4 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -432.280225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.280225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.280225 (E_RNA) where: Base-Base interactions energy: -182.907 where: short stacking energy: -114.415 Base-Backbone interact. energy: 2.920 local terms energy: -252.293740 where: bonds (distance) C4'-P energy: -79.916 bonds (distance) P-C4' energy: -67.401 flat angles C4'-P-C4' energy: -58.221 flat angles P-C4'-P energy: -43.794 tors. eta vs tors. theta energy: -2.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -332.456664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.456664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.456664 (E_RNA) where: Base-Base interactions energy: -111.292 where: short stacking energy: -96.331 Base-Backbone interact. energy: -2.435 local terms energy: -218.730423 where: bonds (distance) C4'-P energy: -69.864 bonds (distance) P-C4' energy: -66.220 flat angles C4'-P-C4' energy: -56.184 flat angles P-C4'-P energy: -42.194 tors. eta vs tors. theta energy: 15.731 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: 1 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -1068.693683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.693683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.693683 (E_RNA) where: Base-Base interactions energy: -672.507 where: short stacking energy: -327.470 Base-Backbone interact. energy: -0.723 local terms energy: -395.464542 where: bonds (distance) C4'-P energy: -83.575 bonds (distance) P-C4' energy: -88.533 flat angles C4'-P-C4' energy: -81.828 flat angles P-C4'-P energy: -58.833 tors. eta vs tors. theta energy: -82.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -1026.522748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.522748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.522748 (E_RNA) where: Base-Base interactions energy: -640.105 where: short stacking energy: -313.827 Base-Backbone interact. energy: -3.879 local terms energy: -382.539171 where: bonds (distance) C4'-P energy: -79.619 bonds (distance) P-C4' energy: -79.792 flat angles C4'-P-C4' energy: -91.932 flat angles P-C4'-P energy: -51.352 tors. eta vs tors. theta energy: -79.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -937.529527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.529527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.529527 (E_RNA) where: Base-Base interactions energy: -598.716 where: short stacking energy: -258.467 Base-Backbone interact. energy: -1.371 local terms energy: -337.442244 where: bonds (distance) C4'-P energy: -81.098 bonds (distance) P-C4' energy: -76.582 flat angles C4'-P-C4' energy: -78.768 flat angles P-C4'-P energy: -46.762 tors. eta vs tors. theta energy: -54.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -785.460244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.460244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.460244 (E_RNA) where: Base-Base interactions energy: -431.290 where: short stacking energy: -229.925 Base-Backbone interact. energy: -1.423 local terms energy: -352.747036 where: bonds (distance) C4'-P energy: -62.814 bonds (distance) P-C4' energy: -76.887 flat angles C4'-P-C4' energy: -90.712 flat angles P-C4'-P energy: -59.645 tors. eta vs tors. theta energy: -62.689 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: 3 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -884.622313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.622313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.622313 (E_RNA) where: Base-Base interactions energy: -569.956 where: short stacking energy: -266.809 Base-Backbone interact. energy: 3.069 local terms energy: -317.734831 where: bonds (distance) C4'-P energy: -70.655 bonds (distance) P-C4' energy: -61.512 flat angles C4'-P-C4' energy: -78.985 flat angles P-C4'-P energy: -45.042 tors. eta vs tors. theta energy: -61.541 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: 8 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -767.826850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.826850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.826850 (E_RNA) where: Base-Base interactions energy: -456.487 where: short stacking energy: -214.843 Base-Backbone interact. energy: -2.417 local terms energy: -308.923103 where: bonds (distance) C4'-P energy: -72.750 bonds (distance) P-C4' energy: -69.429 flat angles C4'-P-C4' energy: -83.873 flat angles P-C4'-P energy: -45.912 tors. eta vs tors. theta energy: -36.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -606.534005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.534005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.534005 (E_RNA) where: Base-Base interactions energy: -327.067 where: short stacking energy: -155.294 Base-Backbone interact. energy: -1.729 local terms energy: -277.738574 where: bonds (distance) C4'-P energy: -65.677 bonds (distance) P-C4' energy: -79.758 flat angles C4'-P-C4' energy: -71.450 flat angles P-C4'-P energy: -36.893 tors. eta vs tors. theta energy: -23.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -617.555926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.555926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.555926 (E_RNA) where: Base-Base interactions energy: -349.450 where: short stacking energy: -183.280 Base-Backbone interact. energy: 0.367 local terms energy: -268.472374 where: bonds (distance) C4'-P energy: -58.666 bonds (distance) P-C4' energy: -83.082 flat angles C4'-P-C4' energy: -65.871 flat angles P-C4'-P energy: -35.313 tors. eta vs tors. theta energy: -25.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -471.660843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.660843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.660843 (E_RNA) where: Base-Base interactions energy: -212.076 where: short stacking energy: -125.431 Base-Backbone interact. energy: -0.134 local terms energy: -259.450323 where: bonds (distance) C4'-P energy: -66.024 bonds (distance) P-C4' energy: -65.644 flat angles C4'-P-C4' energy: -76.079 flat angles P-C4'-P energy: -45.524 tors. eta vs tors. theta energy: -6.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -317.506394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.506394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.506394 (E_RNA) where: Base-Base interactions energy: -104.647 where: short stacking energy: -100.536 Base-Backbone interact. energy: 4.182 local terms energy: -217.041317 where: bonds (distance) C4'-P energy: -58.707 bonds (distance) P-C4' energy: -77.881 flat angles C4'-P-C4' energy: -53.051 flat angles P-C4'-P energy: -36.318 tors. eta vs tors. theta energy: 8.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -1086.011344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.011344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.011344 (E_RNA) where: Base-Base interactions energy: -680.382 where: short stacking energy: -345.233 Base-Backbone interact. energy: 3.341 local terms energy: -408.970588 where: bonds (distance) C4'-P energy: -78.763 bonds (distance) P-C4' energy: -78.036 flat angles C4'-P-C4' energy: -97.915 flat angles P-C4'-P energy: -64.679 tors. eta vs tors. theta energy: -89.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -1095.260999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.260999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.260999 (E_RNA) where: Base-Base interactions energy: -706.072 where: short stacking energy: -345.157 Base-Backbone interact. energy: -3.514 local terms energy: -385.674737 where: bonds (distance) C4'-P energy: -64.488 bonds (distance) P-C4' energy: -90.950 flat angles C4'-P-C4' energy: -83.865 flat angles P-C4'-P energy: -40.056 tors. eta vs tors. theta energy: -106.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -967.550995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.550995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.550995 (E_RNA) where: Base-Base interactions energy: -594.475 where: short stacking energy: -301.620 Base-Backbone interact. energy: -1.934 local terms energy: -371.141263 where: bonds (distance) C4'-P energy: -82.028 bonds (distance) P-C4' energy: -82.056 flat angles C4'-P-C4' energy: -87.561 flat angles P-C4'-P energy: -50.050 tors. eta vs tors. theta energy: -69.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -903.804608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.804608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.804608 (E_RNA) where: Base-Base interactions energy: -567.447 where: short stacking energy: -285.644 Base-Backbone interact. energy: -0.379 local terms energy: -335.978714 where: bonds (distance) C4'-P energy: -63.078 bonds (distance) P-C4' energy: -74.889 flat angles C4'-P-C4' energy: -83.720 flat angles P-C4'-P energy: -40.247 tors. eta vs tors. theta energy: -74.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -694.427112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.427112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.427112 (E_RNA) where: Base-Base interactions energy: -409.286 where: short stacking energy: -197.320 Base-Backbone interact. energy: -0.760 local terms energy: -284.381419 where: bonds (distance) C4'-P energy: -83.468 bonds (distance) P-C4' energy: -69.658 flat angles C4'-P-C4' energy: -57.906 flat angles P-C4'-P energy: -37.269 tors. eta vs tors. theta energy: -36.080 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: 21 Temperature: 1.150000 Total energy: -688.020714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.020714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.020714 (E_RNA) where: Base-Base interactions energy: -401.369 where: short stacking energy: -197.904 Base-Backbone interact. energy: 3.292 local terms energy: -289.944052 where: bonds (distance) C4'-P energy: -71.062 bonds (distance) P-C4' energy: -80.857 flat angles C4'-P-C4' energy: -73.805 flat angles P-C4'-P energy: -52.103 tors. eta vs tors. theta energy: -12.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -625.864423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.864423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.864423 (E_RNA) where: Base-Base interactions energy: -330.460 where: short stacking energy: -179.728 Base-Backbone interact. energy: -1.830 local terms energy: -293.574724 where: bonds (distance) C4'-P energy: -88.162 bonds (distance) P-C4' energy: -63.964 flat angles C4'-P-C4' energy: -53.049 flat angles P-C4'-P energy: -58.769 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: 8, replica: 9 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -620.970810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.970810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.970810 (E_RNA) where: Base-Base interactions energy: -342.260 where: short stacking energy: -191.286 Base-Backbone interact. energy: 2.217 local terms energy: -280.928054 where: bonds (distance) C4'-P energy: -70.706 bonds (distance) P-C4' energy: -60.138 flat angles C4'-P-C4' energy: -73.315 flat angles P-C4'-P energy: -46.660 tors. eta vs tors. theta energy: -30.109 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: 4 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -440.220094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.220094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.220094 (E_RNA) where: Base-Base interactions energy: -232.270 where: short stacking energy: -138.263 Base-Backbone interact. energy: 2.656 local terms energy: -210.606176 where: bonds (distance) C4'-P energy: -59.759 bonds (distance) P-C4' energy: -64.994 flat angles C4'-P-C4' energy: -49.967 flat angles P-C4'-P energy: -35.915 tors. eta vs tors. theta energy: 0.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -332.714833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.714833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.714833 (E_RNA) where: Base-Base interactions energy: -115.663 where: short stacking energy: -80.003 Base-Backbone interact. energy: -2.350 local terms energy: -214.701881 where: bonds (distance) C4'-P energy: -61.177 bonds (distance) P-C4' energy: -77.970 flat angles C4'-P-C4' energy: -49.954 flat angles P-C4'-P energy: -38.906 tors. eta vs tors. theta energy: 13.306 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: 1 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -1096.066912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.066912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.066912 (E_RNA) where: Base-Base interactions energy: -682.656 where: short stacking energy: -357.388 Base-Backbone interact. energy: 0.373 local terms energy: -413.784147 where: bonds (distance) C4'-P energy: -83.332 bonds (distance) P-C4' energy: -86.240 flat angles C4'-P-C4' energy: -87.146 flat angles P-C4'-P energy: -58.490 tors. eta vs tors. theta energy: -98.576 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: 22 Temperature: 0.950000 Total energy: -1083.475969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.475969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.475969 (E_RNA) where: Base-Base interactions energy: -697.249 where: short stacking energy: -335.984 Base-Backbone interact. energy: -2.734 local terms energy: -383.492777 where: bonds (distance) C4'-P energy: -80.405 bonds (distance) P-C4' energy: -83.497 flat angles C4'-P-C4' energy: -84.871 flat angles P-C4'-P energy: -46.001 tors. eta vs tors. theta energy: -88.720 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: 5 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -980.554936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.554936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.554936 (E_RNA) where: Base-Base interactions energy: -622.357 where: short stacking energy: -287.008 Base-Backbone interact. energy: -2.108 local terms energy: -356.089952 where: bonds (distance) C4'-P energy: -81.503 bonds (distance) P-C4' energy: -74.832 flat angles C4'-P-C4' energy: -80.298 flat angles P-C4'-P energy: -48.580 tors. eta vs tors. theta energy: -70.878 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: 3 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -984.890742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.890742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.890742 (E_RNA) where: Base-Base interactions energy: -619.635 where: short stacking energy: -292.563 Base-Backbone interact. energy: -2.143 local terms energy: -363.112135 where: bonds (distance) C4'-P energy: -79.500 bonds (distance) P-C4' energy: -74.377 flat angles C4'-P-C4' energy: -83.577 flat angles P-C4'-P energy: -51.308 tors. eta vs tors. theta energy: -74.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -698.077949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.077949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.077949 (E_RNA) where: Base-Base interactions energy: -390.274 where: short stacking energy: -200.451 Base-Backbone interact. energy: 1.433 local terms energy: -309.237647 where: bonds (distance) C4'-P energy: -73.751 bonds (distance) P-C4' energy: -74.592 flat angles C4'-P-C4' energy: -81.661 flat angles P-C4'-P energy: -35.361 tors. eta vs tors. theta energy: -43.873 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: 8 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -730.277258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.277258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.277258 (E_RNA) where: Base-Base interactions energy: -450.786 where: short stacking energy: -205.584 Base-Backbone interact. energy: 5.341 local terms energy: -284.832438 where: bonds (distance) C4'-P energy: -69.040 bonds (distance) P-C4' energy: -66.321 flat angles C4'-P-C4' energy: -76.456 flat angles P-C4'-P energy: -43.972 tors. eta vs tors. theta energy: -29.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -568.149803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.149803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.149803 (E_RNA) where: Base-Base interactions energy: -318.256 where: short stacking energy: -173.607 Base-Backbone interact. energy: -0.108 local terms energy: -249.785495 where: bonds (distance) C4'-P energy: -67.920 bonds (distance) P-C4' energy: -55.156 flat angles C4'-P-C4' energy: -65.581 flat angles P-C4'-P energy: -44.364 tors. eta vs tors. theta energy: -16.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -605.634069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.634069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.634069 (E_RNA) where: Base-Base interactions energy: -349.333 where: short stacking energy: -166.031 Base-Backbone interact. energy: 0.334 local terms energy: -256.635715 where: bonds (distance) C4'-P energy: -73.890 bonds (distance) P-C4' energy: -67.439 flat angles C4'-P-C4' energy: -70.034 flat angles P-C4'-P energy: -38.706 tors. eta vs tors. theta energy: -6.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -379.929836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.929836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.929836 (E_RNA) where: Base-Base interactions energy: -137.900 where: short stacking energy: -95.870 Base-Backbone interact. energy: -0.149 local terms energy: -241.880938 where: bonds (distance) C4'-P energy: -59.103 bonds (distance) P-C4' energy: -77.628 flat angles C4'-P-C4' energy: -63.939 flat angles P-C4'-P energy: -47.407 tors. eta vs tors. theta energy: 6.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -336.219516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.219516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.219516 (E_RNA) where: Base-Base interactions energy: -105.033 where: short stacking energy: -91.970 Base-Backbone interact. energy: -1.155 local terms energy: -230.030987 where: bonds (distance) C4'-P energy: -73.451 bonds (distance) P-C4' energy: -72.728 flat angles C4'-P-C4' energy: -52.976 flat angles P-C4'-P energy: -44.378 tors. eta vs tors. theta energy: 13.501 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: 1 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -1101.774399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.774399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.774399 (E_RNA) where: Base-Base interactions energy: -714.564 where: short stacking energy: -346.859 Base-Backbone interact. energy: 0.110 local terms energy: -387.321357 where: bonds (distance) C4'-P energy: -79.815 bonds (distance) P-C4' energy: -82.313 flat angles C4'-P-C4' energy: -82.891 flat angles P-C4'-P energy: -49.637 tors. eta vs tors. theta energy: -92.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -1064.497757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.497757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.497757 (E_RNA) where: Base-Base interactions energy: -690.826 where: short stacking energy: -327.292 Base-Backbone interact. energy: -2.153 local terms energy: -371.518455 where: bonds (distance) C4'-P energy: -64.832 bonds (distance) P-C4' energy: -83.411 flat angles C4'-P-C4' energy: -79.952 flat angles P-C4'-P energy: -55.345 tors. eta vs tors. theta energy: -87.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -986.387313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.387313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.387313 (E_RNA) where: Base-Base interactions energy: -617.441 where: short stacking energy: -288.042 Base-Backbone interact. energy: -1.546 local terms energy: -367.400970 where: bonds (distance) C4'-P energy: -72.982 bonds (distance) P-C4' energy: -86.145 flat angles C4'-P-C4' energy: -83.923 flat angles P-C4'-P energy: -61.076 tors. eta vs tors. theta energy: -63.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -962.545188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.545188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.545188 (E_RNA) where: Base-Base interactions energy: -614.814 where: short stacking energy: -292.992 Base-Backbone interact. energy: -1.158 local terms energy: -346.572965 where: bonds (distance) C4'-P energy: -82.396 bonds (distance) P-C4' energy: -70.328 flat angles C4'-P-C4' energy: -73.968 flat angles P-C4'-P energy: -50.908 tors. eta vs tors. theta energy: -68.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -678.879231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.879231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.879231 (E_RNA) where: Base-Base interactions energy: -349.558 where: short stacking energy: -211.755 Base-Backbone interact. energy: -2.750 local terms energy: -326.571140 where: bonds (distance) C4'-P energy: -75.454 bonds (distance) P-C4' energy: -78.761 flat angles C4'-P-C4' energy: -81.155 flat angles P-C4'-P energy: -47.715 tors. eta vs tors. theta energy: -43.486 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: 8 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -714.552340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.552340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.552340 (E_RNA) where: Base-Base interactions energy: -428.519 where: short stacking energy: -209.899 Base-Backbone interact. energy: -1.391 local terms energy: -284.641908 where: bonds (distance) C4'-P energy: -66.309 bonds (distance) P-C4' energy: -72.675 flat angles C4'-P-C4' energy: -77.576 flat angles P-C4'-P energy: -39.564 tors. eta vs tors. theta energy: -28.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -551.927178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.927178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.927178 (E_RNA) where: Base-Base interactions energy: -275.707 where: short stacking energy: -158.150 Base-Backbone interact. energy: 0.114 local terms energy: -276.334202 where: bonds (distance) C4'-P energy: -70.296 bonds (distance) P-C4' energy: -70.891 flat angles C4'-P-C4' energy: -75.240 flat angles P-C4'-P energy: -41.009 tors. eta vs tors. theta energy: -18.899 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: 8, replica: 7 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -613.671145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.671145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.671145 (E_RNA) where: Base-Base interactions energy: -345.509 where: short stacking energy: -155.313 Base-Backbone interact. energy: -0.583 local terms energy: -267.578970 where: bonds (distance) C4'-P energy: -66.503 bonds (distance) P-C4' energy: -82.135 flat angles C4'-P-C4' energy: -74.397 flat angles P-C4'-P energy: -24.047 tors. eta vs tors. theta energy: -20.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -380.387988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.387988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.387988 (E_RNA) where: Base-Base interactions energy: -159.318 where: short stacking energy: -121.194 Base-Backbone interact. energy: 2.368 local terms energy: -223.438420 where: bonds (distance) C4'-P energy: -62.515 bonds (distance) P-C4' energy: -68.203 flat angles C4'-P-C4' energy: -47.311 flat angles P-C4'-P energy: -42.696 tors. eta vs tors. theta energy: -2.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -385.199225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.199225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.199225 (E_RNA) where: Base-Base interactions energy: -183.141 where: short stacking energy: -132.656 Base-Backbone interact. energy: 1.586 local terms energy: -203.643964 where: bonds (distance) C4'-P energy: -50.774 bonds (distance) P-C4' energy: -68.677 flat angles C4'-P-C4' energy: -53.772 flat angles P-C4'-P energy: -29.409 tors. eta vs tors. theta energy: -1.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -1116.064342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.064342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.064342 (E_RNA) where: Base-Base interactions energy: -710.246 where: short stacking energy: -358.727 Base-Backbone interact. energy: -0.419 local terms energy: -405.399537 where: bonds (distance) C4'-P energy: -84.565 bonds (distance) P-C4' energy: -83.965 flat angles C4'-P-C4' energy: -85.945 flat angles P-C4'-P energy: -58.458 tors. eta vs tors. theta energy: -92.466 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: 6 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -1078.501703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.501703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.501703 (E_RNA) where: Base-Base interactions energy: -702.234 where: short stacking energy: -324.497 Base-Backbone interact. energy: -1.181 local terms energy: -375.086566 where: bonds (distance) C4'-P energy: -72.435 bonds (distance) P-C4' energy: -83.616 flat angles C4'-P-C4' energy: -81.470 flat angles P-C4'-P energy: -56.254 tors. eta vs tors. theta energy: -81.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -1027.474646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.474646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.474646 (E_RNA) where: Base-Base interactions energy: -687.641 where: short stacking energy: -293.178 Base-Backbone interact. energy: -2.058 local terms energy: -337.776314 where: bonds (distance) C4'-P energy: -70.814 bonds (distance) P-C4' energy: -73.121 flat angles C4'-P-C4' energy: -74.020 flat angles P-C4'-P energy: -45.899 tors. eta vs tors. theta energy: -73.922 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: 5 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -923.687702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.687702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.687702 (E_RNA) where: Base-Base interactions energy: -574.963 where: short stacking energy: -255.819 Base-Backbone interact. energy: 2.659 local terms energy: -351.383840 where: bonds (distance) C4'-P energy: -74.837 bonds (distance) P-C4' energy: -74.357 flat angles C4'-P-C4' energy: -83.065 flat angles P-C4'-P energy: -70.713 tors. eta vs tors. theta energy: -48.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -757.315840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.315840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.315840 (E_RNA) where: Base-Base interactions energy: -450.112 where: short stacking energy: -215.588 Base-Backbone interact. energy: -0.407 local terms energy: -306.797032 where: bonds (distance) C4'-P energy: -62.883 bonds (distance) P-C4' energy: -81.162 flat angles C4'-P-C4' energy: -72.866 flat angles P-C4'-P energy: -47.309 tors. eta vs tors. theta energy: -42.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -601.880226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.880226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.880226 (E_RNA) where: Base-Base interactions energy: -330.928 where: short stacking energy: -173.859 Base-Backbone interact. energy: 2.740 local terms energy: -273.691600 where: bonds (distance) C4'-P energy: -65.037 bonds (distance) P-C4' energy: -76.335 flat angles C4'-P-C4' energy: -80.855 flat angles P-C4'-P energy: -38.366 tors. eta vs tors. theta energy: -13.099 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: 24 Temperature: 1.200000 Total energy: -674.763698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.763698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.763698 (E_RNA) where: Base-Base interactions energy: -377.278 where: short stacking energy: -213.638 Base-Backbone interact. energy: 0.264 local terms energy: -297.750550 where: bonds (distance) C4'-P energy: -67.590 bonds (distance) P-C4' energy: -78.130 flat angles C4'-P-C4' energy: -66.664 flat angles P-C4'-P energy: -45.403 tors. eta vs tors. theta energy: -39.964 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: 9 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -553.248331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.248331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.248331 (E_RNA) where: Base-Base interactions energy: -284.162 where: short stacking energy: -161.848 Base-Backbone interact. energy: -1.633 local terms energy: -267.453412 where: bonds (distance) C4'-P energy: -75.104 bonds (distance) P-C4' energy: -77.364 flat angles C4'-P-C4' energy: -62.793 flat angles P-C4'-P energy: -38.612 tors. eta vs tors. theta energy: -13.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -413.786021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.786021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.786021 (E_RNA) where: Base-Base interactions energy: -162.979 where: short stacking energy: -92.849 Base-Backbone interact. energy: -1.106 local terms energy: -249.701171 where: bonds (distance) C4'-P energy: -73.797 bonds (distance) P-C4' energy: -75.568 flat angles C4'-P-C4' energy: -66.975 flat angles P-C4'-P energy: -48.811 tors. eta vs tors. theta energy: 15.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -359.945751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.945751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.945751 (E_RNA) where: Base-Base interactions energy: -156.798 where: short stacking energy: -100.690 Base-Backbone interact. energy: -1.038 local terms energy: -202.109913 where: bonds (distance) C4'-P energy: -69.110 bonds (distance) P-C4' energy: -62.581 flat angles C4'-P-C4' energy: -54.412 flat angles P-C4'-P energy: -19.807 tors. eta vs tors. theta energy: 3.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -1159.741497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.741497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.741497 (E_RNA) where: Base-Base interactions energy: -758.704 where: short stacking energy: -348.217 Base-Backbone interact. energy: -2.554 local terms energy: -398.483219 where: bonds (distance) C4'-P energy: -85.221 bonds (distance) P-C4' energy: -88.726 flat angles C4'-P-C4' energy: -75.121 flat angles P-C4'-P energy: -57.819 tors. eta vs tors. theta energy: -91.596 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: 2, replica: 6 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -1051.120916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.120916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.120916 (E_RNA) where: Base-Base interactions energy: -642.170 where: short stacking energy: -303.876 Base-Backbone interact. energy: -2.367 local terms energy: -406.584049 where: bonds (distance) C4'-P energy: -85.351 bonds (distance) P-C4' energy: -81.100 flat angles C4'-P-C4' energy: -95.496 flat angles P-C4'-P energy: -66.239 tors. eta vs tors. theta energy: -78.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -1064.195820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.195820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.195820 (E_RNA) where: Base-Base interactions energy: -697.305 where: short stacking energy: -285.212 Base-Backbone interact. energy: -1.078 local terms energy: -365.812612 where: bonds (distance) C4'-P energy: -76.388 bonds (distance) P-C4' energy: -76.500 flat angles C4'-P-C4' energy: -79.975 flat angles P-C4'-P energy: -58.047 tors. eta vs tors. theta energy: -74.903 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: 5 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -924.307162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.307162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.307162 (E_RNA) where: Base-Base interactions energy: -586.932 where: short stacking energy: -275.481 Base-Backbone interact. energy: 0.108 local terms energy: -337.483453 where: bonds (distance) C4'-P energy: -65.670 bonds (distance) P-C4' energy: -93.253 flat angles C4'-P-C4' energy: -76.273 flat angles P-C4'-P energy: -52.815 tors. eta vs tors. theta energy: -49.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -801.596321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.596321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.596321 (E_RNA) where: Base-Base interactions energy: -502.915 where: short stacking energy: -230.394 Base-Backbone interact. energy: 2.354 local terms energy: -301.035911 where: bonds (distance) C4'-P energy: -71.668 bonds (distance) P-C4' energy: -70.635 flat angles C4'-P-C4' energy: -71.216 flat angles P-C4'-P energy: -36.583 tors. eta vs tors. theta energy: -50.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -725.080521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.080521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.080521 (E_RNA) where: Base-Base interactions energy: -413.411 where: short stacking energy: -215.619 Base-Backbone interact. energy: -2.548 local terms energy: -309.121780 where: bonds (distance) C4'-P energy: -63.376 bonds (distance) P-C4' energy: -70.268 flat angles C4'-P-C4' energy: -80.556 flat angles P-C4'-P energy: -51.551 tors. eta vs tors. theta energy: -43.371 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: 2 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -511.635402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.635402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.635402 (E_RNA) where: Base-Base interactions energy: -245.704 where: short stacking energy: -134.997 Base-Backbone interact. energy: -0.316 local terms energy: -265.614631 where: bonds (distance) C4'-P energy: -76.428 bonds (distance) P-C4' energy: -67.518 flat angles C4'-P-C4' energy: -64.708 flat angles P-C4'-P energy: -43.760 tors. eta vs tors. theta energy: -13.201 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: 9 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -556.234332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.234332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.234332 (E_RNA) where: Base-Base interactions energy: -293.034 where: short stacking energy: -165.866 Base-Backbone interact. energy: 0.593 local terms energy: -263.793340 where: bonds (distance) C4'-P energy: -65.252 bonds (distance) P-C4' energy: -74.055 flat angles C4'-P-C4' energy: -59.545 flat angles P-C4'-P energy: -37.824 tors. eta vs tors. theta energy: -27.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -389.415600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.415600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.415600 (E_RNA) where: Base-Base interactions energy: -151.617 where: short stacking energy: -106.263 Base-Backbone interact. energy: 1.630 local terms energy: -239.427997 where: bonds (distance) C4'-P energy: -67.899 bonds (distance) P-C4' energy: -76.783 flat angles C4'-P-C4' energy: -62.929 flat angles P-C4'-P energy: -33.010 tors. eta vs tors. theta energy: 1.193 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: 10 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -362.297366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.297366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.297366 (E_RNA) where: Base-Base interactions energy: -124.255 where: short stacking energy: -106.718 Base-Backbone interact. energy: 0.671 local terms energy: -238.713538 where: bonds (distance) C4'-P energy: -82.039 bonds (distance) P-C4' energy: -75.151 flat angles C4'-P-C4' energy: -65.119 flat angles P-C4'-P energy: -29.385 tors. eta vs tors. theta energy: 12.981 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: 1, replica: 1 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -1146.345246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.345246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.345246 (E_RNA) where: Base-Base interactions energy: -754.537 where: short stacking energy: -349.874 Base-Backbone interact. energy: -1.285 local terms energy: -390.522544 where: bonds (distance) C4'-P energy: -64.845 bonds (distance) P-C4' energy: -85.225 flat angles C4'-P-C4' energy: -91.884 flat angles P-C4'-P energy: -59.694 tors. eta vs tors. theta energy: -88.874 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: 6 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -1090.456205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.456205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.456205 (E_RNA) where: Base-Base interactions energy: -720.626 where: short stacking energy: -340.277 Base-Backbone interact. energy: 1.674 local terms energy: -371.504265 where: bonds (distance) C4'-P energy: -74.855 bonds (distance) P-C4' energy: -77.072 flat angles C4'-P-C4' energy: -81.560 flat angles P-C4'-P energy: -54.500 tors. eta vs tors. theta energy: -83.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -1094.294509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.294509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.294509 (E_RNA) where: Base-Base interactions energy: -742.037 where: short stacking energy: -308.399 Base-Backbone interact. energy: -1.774 local terms energy: -350.484111 where: bonds (distance) C4'-P energy: -72.827 bonds (distance) P-C4' energy: -78.448 flat angles C4'-P-C4' energy: -76.822 flat angles P-C4'-P energy: -50.726 tors. eta vs tors. theta energy: -71.662 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: 5 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -929.979232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.979232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.979232 (E_RNA) where: Base-Base interactions energy: -569.529 where: short stacking energy: -267.120 Base-Backbone interact. energy: -2.724 local terms energy: -357.726951 where: bonds (distance) C4'-P energy: -76.278 bonds (distance) P-C4' energy: -66.357 flat angles C4'-P-C4' energy: -93.219 flat angles P-C4'-P energy: -65.413 tors. eta vs tors. theta energy: -56.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -833.849589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.849589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.849589 (E_RNA) where: Base-Base interactions energy: -504.795 where: short stacking energy: -221.161 Base-Backbone interact. energy: 0.311 local terms energy: -329.365854 where: bonds (distance) C4'-P energy: -78.096 bonds (distance) P-C4' energy: -83.561 flat angles C4'-P-C4' energy: -77.691 flat angles P-C4'-P energy: -41.341 tors. eta vs tors. theta energy: -48.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -745.876340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.876340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.876340 (E_RNA) where: Base-Base interactions energy: -428.909 where: short stacking energy: -235.526 Base-Backbone interact. energy: 0.884 local terms energy: -317.850797 where: bonds (distance) C4'-P energy: -73.824 bonds (distance) P-C4' energy: -66.433 flat angles C4'-P-C4' energy: -73.931 flat angles P-C4'-P energy: -58.737 tors. eta vs tors. theta energy: -44.926 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: 26 Temperature: 1.200000 Total energy: -611.365240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.365240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.365240 (E_RNA) where: Base-Base interactions energy: -315.688 where: short stacking energy: -185.416 Base-Backbone interact. energy: 4.173 local terms energy: -299.849309 where: bonds (distance) C4'-P energy: -74.790 bonds (distance) P-C4' energy: -76.719 flat angles C4'-P-C4' energy: -67.082 flat angles P-C4'-P energy: -41.619 tors. eta vs tors. theta energy: -39.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -475.427193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.427193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.427193 (E_RNA) where: Base-Base interactions energy: -246.609 where: short stacking energy: -131.842 Base-Backbone interact. energy: -1.577 local terms energy: -227.240770 where: bonds (distance) C4'-P energy: -66.354 bonds (distance) P-C4' energy: -73.931 flat angles C4'-P-C4' energy: -58.980 flat angles P-C4'-P energy: -25.137 tors. eta vs tors. theta energy: -2.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -348.554059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.554059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.554059 (E_RNA) where: Base-Base interactions energy: -117.753 where: short stacking energy: -116.742 Base-Backbone interact. energy: -2.154 local terms energy: -228.647083 where: bonds (distance) C4'-P energy: -65.372 bonds (distance) P-C4' energy: -75.030 flat angles C4'-P-C4' energy: -69.033 flat angles P-C4'-P energy: -24.973 tors. eta vs tors. theta energy: 5.762 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: 4 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -354.955103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.955103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.955103 (E_RNA) where: Base-Base interactions energy: -150.332 where: short stacking energy: -105.745 Base-Backbone interact. energy: 6.810 local terms energy: -211.432975 where: bonds (distance) C4'-P energy: -50.418 bonds (distance) P-C4' energy: -67.518 flat angles C4'-P-C4' energy: -64.309 flat angles P-C4'-P energy: -30.072 tors. eta vs tors. theta energy: 0.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -1170.375560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.375560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.375560 (E_RNA) where: Base-Base interactions energy: -757.791 where: short stacking energy: -342.696 Base-Backbone interact. energy: 0.240 local terms energy: -412.823769 where: bonds (distance) C4'-P energy: -91.542 bonds (distance) P-C4' energy: -83.162 flat angles C4'-P-C4' energy: -87.775 flat angles P-C4'-P energy: -55.194 tors. eta vs tors. theta energy: -95.151 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: 27 Temperature: 0.950000 Total energy: -1036.641133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.641133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.641133 (E_RNA) where: Base-Base interactions energy: -675.459 where: short stacking energy: -283.694 Base-Backbone interact. energy: 0.085 local terms energy: -361.266907 where: bonds (distance) C4'-P energy: -79.272 bonds (distance) P-C4' energy: -74.914 flat angles C4'-P-C4' energy: -82.879 flat angles P-C4'-P energy: -50.042 tors. eta vs tors. theta energy: -74.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -1097.496635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.496635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.496635 (E_RNA) where: Base-Base interactions energy: -706.969 where: short stacking energy: -337.008 Base-Backbone interact. energy: -1.625 local terms energy: -388.902525 where: bonds (distance) C4'-P energy: -82.563 bonds (distance) P-C4' energy: -81.473 flat angles C4'-P-C4' energy: -82.145 flat angles P-C4'-P energy: -53.842 tors. eta vs tors. theta energy: -88.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -941.361530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.361530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.361530 (E_RNA) where: Base-Base interactions energy: -631.113 where: short stacking energy: -274.752 Base-Backbone interact. energy: 4.541 local terms energy: -314.789839 where: bonds (distance) C4'-P energy: -61.346 bonds (distance) P-C4' energy: -71.018 flat angles C4'-P-C4' energy: -74.280 flat angles P-C4'-P energy: -47.781 tors. eta vs tors. theta energy: -60.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -860.480546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.480546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.480546 (E_RNA) where: Base-Base interactions energy: -508.067 where: short stacking energy: -239.557 Base-Backbone interact. energy: -0.885 local terms energy: -351.528492 where: bonds (distance) C4'-P energy: -79.766 bonds (distance) P-C4' energy: -78.156 flat angles C4'-P-C4' energy: -86.620 flat angles P-C4'-P energy: -46.984 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: 6, replica: 9 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -706.463242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.463242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.463242 (E_RNA) where: Base-Base interactions energy: -401.283 where: short stacking energy: -231.692 Base-Backbone interact. energy: 0.075 local terms energy: -305.254942 where: bonds (distance) C4'-P energy: -65.827 bonds (distance) P-C4' energy: -69.526 flat angles C4'-P-C4' energy: -66.411 flat angles P-C4'-P energy: -47.600 tors. eta vs tors. theta energy: -55.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -687.461531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.461531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.461531 (E_RNA) where: Base-Base interactions energy: -402.092 where: short stacking energy: -208.936 Base-Backbone interact. energy: 1.474 local terms energy: -286.843544 where: bonds (distance) C4'-P energy: -62.705 bonds (distance) P-C4' energy: -72.030 flat angles C4'-P-C4' energy: -67.340 flat angles P-C4'-P energy: -48.272 tors. eta vs tors. theta energy: -36.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -443.914401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.914401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.914401 (E_RNA) where: Base-Base interactions energy: -192.737 where: short stacking energy: -99.395 Base-Backbone interact. energy: -0.213 local terms energy: -250.963864 where: bonds (distance) C4'-P energy: -83.612 bonds (distance) P-C4' energy: -85.519 flat angles C4'-P-C4' energy: -52.161 flat angles P-C4'-P energy: -40.153 tors. eta vs tors. theta energy: 10.481 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: 9, replica: 10 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -331.702047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.702047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.702047 (E_RNA) where: Base-Base interactions energy: -119.891 where: short stacking energy: -96.033 Base-Backbone interact. energy: -0.601 local terms energy: -211.209285 where: bonds (distance) C4'-P energy: -66.315 bonds (distance) P-C4' energy: -65.064 flat angles C4'-P-C4' energy: -43.500 flat angles P-C4'-P energy: -42.900 tors. eta vs tors. theta energy: 6.569 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: 4 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -342.496594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.496594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.496594 (E_RNA) where: Base-Base interactions energy: -117.190 where: short stacking energy: -89.448 Base-Backbone interact. energy: -0.667 local terms energy: -224.639735 where: bonds (distance) C4'-P energy: -69.984 bonds (distance) P-C4' energy: -70.707 flat angles C4'-P-C4' energy: -46.649 flat angles P-C4'-P energy: -37.270 tors. eta vs tors. theta energy: -0.029 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: 1 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -1170.707848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.707848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.707848 (E_RNA) where: Base-Base interactions energy: -760.108 where: short stacking energy: -334.850 Base-Backbone interact. energy: -2.560 local terms energy: -408.039872 where: bonds (distance) C4'-P energy: -76.067 bonds (distance) P-C4' energy: -89.929 flat angles C4'-P-C4' energy: -90.900 flat angles P-C4'-P energy: -58.960 tors. eta vs tors. theta energy: -92.183 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: 28 Temperature: 0.950000 Total energy: -1049.898699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.898699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.898699 (E_RNA) where: Base-Base interactions energy: -661.275 where: short stacking energy: -317.247 Base-Backbone interact. energy: -0.307 local terms energy: -388.316600 where: bonds (distance) C4'-P energy: -87.476 bonds (distance) P-C4' energy: -72.792 flat angles C4'-P-C4' energy: -87.461 flat angles P-C4'-P energy: -56.336 tors. eta vs tors. theta energy: -84.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -1142.930848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.930848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.930848 (E_RNA) where: Base-Base interactions energy: -738.922 where: short stacking energy: -346.496 Base-Backbone interact. energy: 4.135 local terms energy: -408.143368 where: bonds (distance) C4'-P energy: -79.834 bonds (distance) P-C4' energy: -83.274 flat angles C4'-P-C4' energy: -85.850 flat angles P-C4'-P energy: -58.594 tors. eta vs tors. theta energy: -100.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -940.490981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.490981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.490981 (E_RNA) where: Base-Base interactions energy: -607.279 where: short stacking energy: -272.221 Base-Backbone interact. energy: -0.053 local terms energy: -333.158860 where: bonds (distance) C4'-P energy: -69.333 bonds (distance) P-C4' energy: -65.486 flat angles C4'-P-C4' energy: -82.416 flat angles P-C4'-P energy: -57.621 tors. eta vs tors. theta energy: -58.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -927.218925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.218925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.218925 (E_RNA) where: Base-Base interactions energy: -569.429 where: short stacking energy: -284.474 Base-Backbone interact. energy: -1.300 local terms energy: -356.490383 where: bonds (distance) C4'-P energy: -69.111 bonds (distance) P-C4' energy: -72.357 flat angles C4'-P-C4' energy: -91.676 flat angles P-C4'-P energy: -46.765 tors. eta vs tors. theta energy: -76.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -684.401207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.401207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.401207 (E_RNA) where: Base-Base interactions energy: -400.216 where: short stacking energy: -201.072 Base-Backbone interact. energy: 1.112 local terms energy: -285.297677 where: bonds (distance) C4'-P energy: -73.813 bonds (distance) P-C4' energy: -77.858 flat angles C4'-P-C4' energy: -54.840 flat angles P-C4'-P energy: -45.271 tors. eta vs tors. theta energy: -33.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -673.143522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.143522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.143522 (E_RNA) where: Base-Base interactions energy: -382.484 where: short stacking energy: -205.215 Base-Backbone interact. energy: 2.681 local terms energy: -293.340419 where: bonds (distance) C4'-P energy: -68.302 bonds (distance) P-C4' energy: -66.515 flat angles C4'-P-C4' energy: -79.953 flat angles P-C4'-P energy: -34.001 tors. eta vs tors. theta energy: -44.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -447.624392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.624392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.624392 (E_RNA) where: Base-Base interactions energy: -197.598 where: short stacking energy: -125.588 Base-Backbone interact. energy: -0.631 local terms energy: -249.395168 where: bonds (distance) C4'-P energy: -60.597 bonds (distance) P-C4' energy: -78.699 flat angles C4'-P-C4' energy: -51.498 flat angles P-C4'-P energy: -40.532 tors. eta vs tors. theta energy: -18.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -353.244048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.244048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.244048 (E_RNA) where: Base-Base interactions energy: -104.196 where: short stacking energy: -101.242 Base-Backbone interact. energy: -0.280 local terms energy: -248.767930 where: bonds (distance) C4'-P energy: -62.740 bonds (distance) P-C4' energy: -75.203 flat angles C4'-P-C4' energy: -83.403 flat angles P-C4'-P energy: -33.589 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: 10, replica: 4 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -328.106027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.106027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.106027 (E_RNA) where: Base-Base interactions energy: -120.425 where: short stacking energy: -110.047 Base-Backbone interact. energy: -0.466 local terms energy: -207.215016 where: bonds (distance) C4'-P energy: -71.235 bonds (distance) P-C4' energy: -74.146 flat angles C4'-P-C4' energy: -58.341 flat angles P-C4'-P energy: -23.614 tors. eta vs tors. theta energy: 20.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -1205.058689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.058689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.058689 (E_RNA) where: Base-Base interactions energy: -800.718 where: short stacking energy: -376.723 Base-Backbone interact. energy: -1.585 local terms energy: -402.755102 where: bonds (distance) C4'-P energy: -79.240 bonds (distance) P-C4' energy: -89.626 flat angles C4'-P-C4' energy: -85.246 flat angles P-C4'-P energy: -51.676 tors. eta vs tors. theta energy: -96.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -1190.482023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.482023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.482023 (E_RNA) where: Base-Base interactions energy: -783.726 where: short stacking energy: -355.806 Base-Backbone interact. energy: -1.914 local terms energy: -404.841742 where: bonds (distance) C4'-P energy: -80.821 bonds (distance) P-C4' energy: -70.105 flat angles C4'-P-C4' energy: -96.119 flat angles P-C4'-P energy: -52.062 tors. eta vs tors. theta energy: -105.734 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: 3, replica: 6 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -1028.906759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.906759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.906759 (E_RNA) where: Base-Base interactions energy: -654.149 where: short stacking energy: -320.269 Base-Backbone interact. energy: -1.654 local terms energy: -373.103716 where: bonds (distance) C4'-P energy: -74.727 bonds (distance) P-C4' energy: -74.265 flat angles C4'-P-C4' energy: -88.643 flat angles P-C4'-P energy: -57.196 tors. eta vs tors. theta energy: -78.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -984.260880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.260880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.260880 (E_RNA) where: Base-Base interactions energy: -635.766 where: short stacking energy: -303.708 Base-Backbone interact. energy: -2.037 local terms energy: -346.458030 where: bonds (distance) C4'-P energy: -74.541 bonds (distance) P-C4' energy: -65.083 flat angles C4'-P-C4' energy: -82.943 flat angles P-C4'-P energy: -47.180 tors. eta vs tors. theta energy: -76.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -915.961980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.961980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.961980 (E_RNA) where: Base-Base interactions energy: -589.658 where: short stacking energy: -247.429 Base-Backbone interact. energy: -3.534 local terms energy: -322.769737 where: bonds (distance) C4'-P energy: -68.333 bonds (distance) P-C4' energy: -73.015 flat angles C4'-P-C4' energy: -79.016 flat angles P-C4'-P energy: -52.068 tors. eta vs tors. theta energy: -50.337 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: 6, replica: 7 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -711.939304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.939304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.939304 (E_RNA) where: Base-Base interactions energy: -420.262 where: short stacking energy: -216.563 Base-Backbone interact. energy: -0.871 local terms energy: -290.805682 where: bonds (distance) C4'-P energy: -71.852 bonds (distance) P-C4' energy: -80.856 flat angles C4'-P-C4' energy: -68.321 flat angles P-C4'-P energy: -44.052 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: 7, replica: 9 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -658.700805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.700805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.700805 (E_RNA) where: Base-Base interactions energy: -380.676 where: short stacking energy: -199.924 Base-Backbone interact. energy: -1.285 local terms energy: -276.739755 where: bonds (distance) C4'-P energy: -51.146 bonds (distance) P-C4' energy: -86.778 flat angles C4'-P-C4' energy: -54.246 flat angles P-C4'-P energy: -43.460 tors. eta vs tors. theta energy: -41.110 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: 8, replica: 2 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -468.381093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.381093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.381093 (E_RNA) where: Base-Base interactions energy: -189.676 where: short stacking energy: -117.583 Base-Backbone interact. energy: -1.089 local terms energy: -277.616158 where: bonds (distance) C4'-P energy: -66.269 bonds (distance) P-C4' energy: -69.593 flat angles C4'-P-C4' energy: -77.129 flat angles P-C4'-P energy: -47.109 tors. eta vs tors. theta energy: -17.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -425.661425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.661425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.661425 (E_RNA) where: Base-Base interactions energy: -187.583 where: short stacking energy: -119.701 Base-Backbone interact. energy: -2.647 local terms energy: -235.431980 where: bonds (distance) C4'-P energy: -77.689 bonds (distance) P-C4' energy: -72.121 flat angles C4'-P-C4' energy: -56.139 flat angles P-C4'-P energy: -22.683 tors. eta vs tors. theta energy: -6.800 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: 10, replica: 4 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -339.488663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.488663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.488663 (E_RNA) where: Base-Base interactions energy: -133.943 where: short stacking energy: -93.600 Base-Backbone interact. energy: -1.537 local terms energy: -204.008472 where: bonds (distance) C4'-P energy: -67.017 bonds (distance) P-C4' energy: -61.234 flat angles C4'-P-C4' energy: -52.849 flat angles P-C4'-P energy: -37.376 tors. eta vs tors. theta energy: 14.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -1215.173528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.173528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.173528 (E_RNA) where: Base-Base interactions energy: -798.527 where: short stacking energy: -357.776 Base-Backbone interact. energy: 1.231 local terms energy: -417.877435 where: bonds (distance) C4'-P energy: -85.697 bonds (distance) P-C4' energy: -80.570 flat angles C4'-P-C4' energy: -92.417 flat angles P-C4'-P energy: -59.215 tors. eta vs tors. theta energy: -99.979 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: 1 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -1146.577002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.577002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.577002 (E_RNA) where: Base-Base interactions energy: -765.138 where: short stacking energy: -351.212 Base-Backbone interact. energy: 1.820 local terms energy: -383.259560 where: bonds (distance) C4'-P energy: -84.760 bonds (distance) P-C4' energy: -76.166 flat angles C4'-P-C4' energy: -81.494 flat angles P-C4'-P energy: -42.734 tors. eta vs tors. theta energy: -98.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -1049.905673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.905673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.905673 (E_RNA) where: Base-Base interactions energy: -670.518 where: short stacking energy: -295.613 Base-Backbone interact. energy: -2.184 local terms energy: -377.203320 where: bonds (distance) C4'-P energy: -76.068 bonds (distance) P-C4' energy: -76.850 flat angles C4'-P-C4' energy: -88.129 flat angles P-C4'-P energy: -61.980 tors. eta vs tors. theta energy: -74.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -980.159106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.159106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.159106 (E_RNA) where: Base-Base interactions energy: -632.870 where: short stacking energy: -283.753 Base-Backbone interact. energy: -2.666 local terms energy: -344.623007 where: bonds (distance) C4'-P energy: -62.333 bonds (distance) P-C4' energy: -73.457 flat angles C4'-P-C4' energy: -91.420 flat angles P-C4'-P energy: -49.449 tors. eta vs tors. theta energy: -67.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -844.673082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.673082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.673082 (E_RNA) where: Base-Base interactions energy: -511.130 where: short stacking energy: -248.184 Base-Backbone interact. energy: -2.810 local terms energy: -330.733294 where: bonds (distance) C4'-P energy: -69.189 bonds (distance) P-C4' energy: -77.000 flat angles C4'-P-C4' energy: -75.185 flat angles P-C4'-P energy: -54.376 tors. eta vs tors. theta energy: -54.983 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: 30 Temperature: 1.150000 Total energy: -723.211334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.211334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.211334 (E_RNA) where: Base-Base interactions energy: -420.861 where: short stacking energy: -221.696 Base-Backbone interact. energy: -1.789 local terms energy: -300.560865 where: bonds (distance) C4'-P energy: -75.443 bonds (distance) P-C4' energy: -73.523 flat angles C4'-P-C4' energy: -67.326 flat angles P-C4'-P energy: -36.828 tors. eta vs tors. theta energy: -47.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -636.341284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.341284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.341284 (E_RNA) where: Base-Base interactions energy: -349.442 where: short stacking energy: -171.528 Base-Backbone interact. energy: 0.678 local terms energy: -287.577970 where: bonds (distance) C4'-P energy: -76.439 bonds (distance) P-C4' energy: -80.388 flat angles C4'-P-C4' energy: -74.255 flat angles P-C4'-P energy: -30.639 tors. eta vs tors. theta energy: -25.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -518.449766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.449766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.449766 (E_RNA) where: Base-Base interactions energy: -252.767 where: short stacking energy: -129.515 Base-Backbone interact. energy: -1.929 local terms energy: -263.752923 where: bonds (distance) C4'-P energy: -71.292 bonds (distance) P-C4' energy: -69.748 flat angles C4'-P-C4' energy: -68.564 flat angles P-C4'-P energy: -40.680 tors. eta vs tors. theta energy: -13.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -400.419174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.419174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.419174 (E_RNA) where: Base-Base interactions energy: -186.551 where: short stacking energy: -108.331 Base-Backbone interact. energy: -1.267 local terms energy: -212.600471 where: bonds (distance) C4'-P energy: -73.219 bonds (distance) P-C4' energy: -61.592 flat angles C4'-P-C4' energy: -52.587 flat angles P-C4'-P energy: -28.777 tors. eta vs tors. theta energy: 3.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -327.206210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.206210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.206210 (E_RNA) where: Base-Base interactions energy: -105.407 where: short stacking energy: -90.095 Base-Backbone interact. energy: 2.573 local terms energy: -224.372006 where: bonds (distance) C4'-P energy: -73.549 bonds (distance) P-C4' energy: -72.233 flat angles C4'-P-C4' energy: -59.417 flat angles P-C4'-P energy: -27.982 tors. eta vs tors. theta energy: 8.809 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: 3 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -1264.773952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.773952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.773952 (E_RNA) where: Base-Base interactions energy: -849.993 where: short stacking energy: -373.475 Base-Backbone interact. energy: -1.006 local terms energy: -413.775546 where: bonds (distance) C4'-P energy: -72.867 bonds (distance) P-C4' energy: -85.076 flat angles C4'-P-C4' energy: -90.983 flat angles P-C4'-P energy: -62.344 tors. eta vs tors. theta energy: -102.506 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: 1 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -1132.594914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.594914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.594914 (E_RNA) where: Base-Base interactions energy: -735.467 where: short stacking energy: -332.007 Base-Backbone interact. energy: -1.081 local terms energy: -396.046940 where: bonds (distance) C4'-P energy: -77.633 bonds (distance) P-C4' energy: -85.507 flat angles C4'-P-C4' energy: -90.232 flat angles P-C4'-P energy: -57.728 tors. eta vs tors. theta energy: -84.947 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: 3, replica: 8 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -1078.431653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.431653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.431653 (E_RNA) where: Base-Base interactions energy: -697.516 where: short stacking energy: -316.566 Base-Backbone interact. energy: 1.627 local terms energy: -382.542656 where: bonds (distance) C4'-P energy: -77.703 bonds (distance) P-C4' energy: -76.936 flat angles C4'-P-C4' energy: -96.819 flat angles P-C4'-P energy: -54.305 tors. eta vs tors. theta energy: -76.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -975.926592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.926592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.926592 (E_RNA) where: Base-Base interactions energy: -619.275 where: short stacking energy: -284.650 Base-Backbone interact. energy: -2.455 local terms energy: -354.196060 where: bonds (distance) C4'-P energy: -71.747 bonds (distance) P-C4' energy: -78.346 flat angles C4'-P-C4' energy: -79.959 flat angles P-C4'-P energy: -56.154 tors. eta vs tors. theta energy: -67.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -845.505722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.505722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.505722 (E_RNA) where: Base-Base interactions energy: -523.955 where: short stacking energy: -247.362 Base-Backbone interact. energy: -3.777 local terms energy: -317.774095 where: bonds (distance) C4'-P energy: -68.819 bonds (distance) P-C4' energy: -76.686 flat angles C4'-P-C4' energy: -80.952 flat angles P-C4'-P energy: -34.903 tors. eta vs tors. theta energy: -56.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -759.858864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.858864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.858864 (E_RNA) where: Base-Base interactions energy: -443.867 where: short stacking energy: -226.622 Base-Backbone interact. energy: -2.763 local terms energy: -313.228849 where: bonds (distance) C4'-P energy: -78.495 bonds (distance) P-C4' energy: -74.350 flat angles C4'-P-C4' energy: -79.824 flat angles P-C4'-P energy: -30.618 tors. eta vs tors. theta energy: -49.942 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: 31 Temperature: 1.200000 Total energy: -634.244451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.244451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.244451 (E_RNA) where: Base-Base interactions energy: -323.438 where: short stacking energy: -159.563 Base-Backbone interact. energy: 0.763 local terms energy: -311.570241 where: bonds (distance) C4'-P energy: -83.565 bonds (distance) P-C4' energy: -90.631 flat angles C4'-P-C4' energy: -77.609 flat angles P-C4'-P energy: -43.844 tors. eta vs tors. theta energy: -15.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -452.796519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.796519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.796519 (E_RNA) where: Base-Base interactions energy: -222.178 where: short stacking energy: -117.095 Base-Backbone interact. energy: -2.362 local terms energy: -228.256771 where: bonds (distance) C4'-P energy: -61.424 bonds (distance) P-C4' energy: -88.180 flat angles C4'-P-C4' energy: -55.479 flat angles P-C4'-P energy: -29.293 tors. eta vs tors. theta energy: 6.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -377.980387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.980387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.980387 (E_RNA) where: Base-Base interactions energy: -145.287 where: short stacking energy: -106.722 Base-Backbone interact. energy: -2.159 local terms energy: -230.534364 where: bonds (distance) C4'-P energy: -61.306 bonds (distance) P-C4' energy: -84.079 flat angles C4'-P-C4' energy: -62.229 flat angles P-C4'-P energy: -22.407 tors. eta vs tors. theta energy: -0.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -341.656984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.656984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.656984 (E_RNA) where: Base-Base interactions energy: -131.409 where: short stacking energy: -99.272 Base-Backbone interact. energy: -2.342 local terms energy: -207.906287 where: bonds (distance) C4'-P energy: -71.876 bonds (distance) P-C4' energy: -54.830 flat angles C4'-P-C4' energy: -57.977 flat angles P-C4'-P energy: -33.743 tors. eta vs tors. theta energy: 10.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -1241.245141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.245141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.245141 (E_RNA) where: Base-Base interactions energy: -823.666 where: short stacking energy: -366.209 Base-Backbone interact. energy: -2.149 local terms energy: -415.430684 where: bonds (distance) C4'-P energy: -71.149 bonds (distance) P-C4' energy: -90.650 flat angles C4'-P-C4' energy: -89.680 flat angles P-C4'-P energy: -56.861 tors. eta vs tors. theta energy: -107.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -1174.028594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.028594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.028594 (E_RNA) where: Base-Base interactions energy: -760.894 where: short stacking energy: -354.538 Base-Backbone interact. energy: -0.303 local terms energy: -412.831709 where: bonds (distance) C4'-P energy: -83.662 bonds (distance) P-C4' energy: -79.319 flat angles C4'-P-C4' energy: -93.624 flat angles P-C4'-P energy: -59.943 tors. eta vs tors. theta energy: -96.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -1091.530665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.530665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.530665 (E_RNA) where: Base-Base interactions energy: -709.329 where: short stacking energy: -320.687 Base-Backbone interact. energy: 0.723 local terms energy: -382.925250 where: bonds (distance) C4'-P energy: -80.611 bonds (distance) P-C4' energy: -73.394 flat angles C4'-P-C4' energy: -81.559 flat angles P-C4'-P energy: -61.284 tors. eta vs tors. theta energy: -86.078 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: 4, replica: 6 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -977.303251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.303251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.303251 (E_RNA) where: Base-Base interactions energy: -622.118 where: short stacking energy: -272.979 Base-Backbone interact. energy: -1.421 local terms energy: -353.763368 where: bonds (distance) C4'-P energy: -69.969 bonds (distance) P-C4' energy: -69.753 flat angles C4'-P-C4' energy: -92.457 flat angles P-C4'-P energy: -53.812 tors. eta vs tors. theta energy: -67.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -891.889895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.889895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.889895 (E_RNA) where: Base-Base interactions energy: -565.388 where: short stacking energy: -278.375 Base-Backbone interact. energy: 2.164 local terms energy: -328.665315 where: bonds (distance) C4'-P energy: -78.451 bonds (distance) P-C4' energy: -74.336 flat angles C4'-P-C4' energy: -73.076 flat angles P-C4'-P energy: -37.991 tors. eta vs tors. theta energy: -64.811 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: 7 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -752.997620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.997620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.997620 (E_RNA) where: Base-Base interactions energy: -411.062 where: short stacking energy: -229.474 Base-Backbone interact. energy: -1.133 local terms energy: -340.802651 where: bonds (distance) C4'-P energy: -83.102 bonds (distance) P-C4' energy: -73.846 flat angles C4'-P-C4' energy: -79.720 flat angles P-C4'-P energy: -55.036 tors. eta vs tors. theta energy: -49.097 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: 32 Temperature: 1.200000 Total energy: -673.593997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.593997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.593997 (E_RNA) where: Base-Base interactions energy: -385.892 where: short stacking energy: -209.562 Base-Backbone interact. energy: 1.385 local terms energy: -289.086543 where: bonds (distance) C4'-P energy: -78.872 bonds (distance) P-C4' energy: -80.999 flat angles C4'-P-C4' energy: -60.281 flat angles P-C4'-P energy: -32.688 tors. eta vs tors. theta energy: -36.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -481.198473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.198473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.198473 (E_RNA) where: Base-Base interactions energy: -242.196 where: short stacking energy: -161.999 Base-Backbone interact. energy: -0.422 local terms energy: -238.581027 where: bonds (distance) C4'-P energy: -72.476 bonds (distance) P-C4' energy: -67.912 flat angles C4'-P-C4' energy: -59.440 flat angles P-C4'-P energy: -33.709 tors. eta vs tors. theta energy: -5.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -371.737931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.737931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.737931 (E_RNA) where: Base-Base interactions energy: -150.897 where: short stacking energy: -119.726 Base-Backbone interact. energy: -0.992 local terms energy: -219.848899 where: bonds (distance) C4'-P energy: -71.871 bonds (distance) P-C4' energy: -59.698 flat angles C4'-P-C4' energy: -59.615 flat angles P-C4'-P energy: -31.373 tors. eta vs tors. theta energy: 2.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -339.168038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.168038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.168038 (E_RNA) where: Base-Base interactions energy: -104.956 where: short stacking energy: -97.639 Base-Backbone interact. energy: 2.660 local terms energy: -236.872102 where: bonds (distance) C4'-P energy: -74.854 bonds (distance) P-C4' energy: -74.171 flat angles C4'-P-C4' energy: -55.166 flat angles P-C4'-P energy: -46.518 tors. eta vs tors. theta energy: 13.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -1250.115208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.115208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.115208 (E_RNA) where: Base-Base interactions energy: -837.911 where: short stacking energy: -376.719 Base-Backbone interact. energy: -2.144 local terms energy: -410.059953 where: bonds (distance) C4'-P energy: -80.401 bonds (distance) P-C4' energy: -78.216 flat angles C4'-P-C4' energy: -94.728 flat angles P-C4'-P energy: -59.017 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: 2, replica: 1 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -1142.856556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.856556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.856556 (E_RNA) where: Base-Base interactions energy: -761.860 where: short stacking energy: -345.139 Base-Backbone interact. energy: 0.138 local terms energy: -381.134350 where: bonds (distance) C4'-P energy: -74.334 bonds (distance) P-C4' energy: -66.338 flat angles C4'-P-C4' energy: -85.692 flat angles P-C4'-P energy: -57.031 tors. eta vs tors. theta energy: -97.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -1096.525382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.525382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.525382 (E_RNA) where: Base-Base interactions energy: -707.408 where: short stacking energy: -321.258 Base-Backbone interact. energy: -0.331 local terms energy: -388.786053 where: bonds (distance) C4'-P energy: -71.910 bonds (distance) P-C4' energy: -81.851 flat angles C4'-P-C4' energy: -86.307 flat angles P-C4'-P energy: -67.738 tors. eta vs tors. theta energy: -80.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -979.851461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.851461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.851461 (E_RNA) where: Base-Base interactions energy: -587.651 where: short stacking energy: -303.040 Base-Backbone interact. energy: 2.159 local terms energy: -394.359540 where: bonds (distance) C4'-P energy: -81.473 bonds (distance) P-C4' energy: -87.871 flat angles C4'-P-C4' energy: -95.054 flat angles P-C4'-P energy: -48.555 tors. eta vs tors. theta energy: -81.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -935.429932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.429932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.429932 (E_RNA) where: Base-Base interactions energy: -606.754 where: short stacking energy: -306.287 Base-Backbone interact. energy: -1.334 local terms energy: -327.342164 where: bonds (distance) C4'-P energy: -75.091 bonds (distance) P-C4' energy: -57.765 flat angles C4'-P-C4' energy: -69.193 flat angles P-C4'-P energy: -47.308 tors. eta vs tors. theta energy: -77.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -831.982208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.982208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.982208 (E_RNA) where: Base-Base interactions energy: -527.656 where: short stacking energy: -238.121 Base-Backbone interact. energy: -2.131 local terms energy: -302.194959 where: bonds (distance) C4'-P energy: -71.910 bonds (distance) P-C4' energy: -67.238 flat angles C4'-P-C4' energy: -64.284 flat angles P-C4'-P energy: -58.268 tors. eta vs tors. theta energy: -40.495 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: 9 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -672.159562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.159562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.159562 (E_RNA) where: Base-Base interactions energy: -359.107 where: short stacking energy: -191.622 Base-Backbone interact. energy: -1.900 local terms energy: -311.152314 where: bonds (distance) C4'-P energy: -72.878 bonds (distance) P-C4' energy: -80.122 flat angles C4'-P-C4' energy: -78.226 flat angles P-C4'-P energy: -47.644 tors. eta vs tors. theta energy: -32.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -441.850490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.850490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.850490 (E_RNA) where: Base-Base interactions energy: -198.944 where: short stacking energy: -142.291 Base-Backbone interact. energy: -0.946 local terms energy: -241.960949 where: bonds (distance) C4'-P energy: -65.876 bonds (distance) P-C4' energy: -61.150 flat angles C4'-P-C4' energy: -61.655 flat angles P-C4'-P energy: -47.641 tors. eta vs tors. theta energy: -5.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -348.879673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.879673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.879673 (E_RNA) where: Base-Base interactions energy: -111.009 where: short stacking energy: -99.678 Base-Backbone interact. energy: -0.714 local terms energy: -237.156568 where: bonds (distance) C4'-P energy: -72.316 bonds (distance) P-C4' energy: -83.989 flat angles C4'-P-C4' energy: -54.127 flat angles P-C4'-P energy: -38.557 tors. eta vs tors. theta energy: 11.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -329.529472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.529472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.529472 (E_RNA) where: Base-Base interactions energy: -114.526 where: short stacking energy: -101.945 Base-Backbone interact. energy: 2.172 local terms energy: -217.175161 where: bonds (distance) C4'-P energy: -68.054 bonds (distance) P-C4' energy: -72.524 flat angles C4'-P-C4' energy: -44.827 flat angles P-C4'-P energy: -46.025 tors. eta vs tors. theta energy: 14.254 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: 3 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -1264.791850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.791850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.791850 (E_RNA) where: Base-Base interactions energy: -845.987 where: short stacking energy: -386.643 Base-Backbone interact. energy: -0.416 local terms energy: -418.388790 where: bonds (distance) C4'-P energy: -85.272 bonds (distance) P-C4' energy: -78.161 flat angles C4'-P-C4' energy: -84.726 flat angles P-C4'-P energy: -59.306 tors. eta vs tors. theta energy: -110.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -1113.357864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.357864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.357864 (E_RNA) where: Base-Base interactions energy: -722.747 where: short stacking energy: -315.347 Base-Backbone interact. energy: -1.720 local terms energy: -388.890227 where: bonds (distance) C4'-P energy: -81.583 bonds (distance) P-C4' energy: -83.167 flat angles C4'-P-C4' energy: -79.982 flat angles P-C4'-P energy: -50.921 tors. eta vs tors. theta energy: -93.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -1153.287395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.287395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.287395 (E_RNA) where: Base-Base interactions energy: -763.264 where: short stacking energy: -350.447 Base-Backbone interact. energy: 1.476 local terms energy: -391.500177 where: bonds (distance) C4'-P energy: -79.221 bonds (distance) P-C4' energy: -78.621 flat angles C4'-P-C4' energy: -92.216 flat angles P-C4'-P energy: -54.174 tors. eta vs tors. theta energy: -87.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -989.137282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.137282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.137282 (E_RNA) where: Base-Base interactions energy: -640.060 where: short stacking energy: -300.866 Base-Backbone interact. energy: -0.324 local terms energy: -348.753276 where: bonds (distance) C4'-P energy: -64.417 bonds (distance) P-C4' energy: -69.927 flat angles C4'-P-C4' energy: -71.833 flat angles P-C4'-P energy: -64.830 tors. eta vs tors. theta energy: -77.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -960.566538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.566538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.566538 (E_RNA) where: Base-Base interactions energy: -607.968 where: short stacking energy: -275.953 Base-Backbone interact. energy: -0.730 local terms energy: -351.868631 where: bonds (distance) C4'-P energy: -69.521 bonds (distance) P-C4' energy: -77.687 flat angles C4'-P-C4' energy: -72.314 flat angles P-C4'-P energy: -54.991 tors. eta vs tors. theta energy: -77.356 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: 34 Temperature: 1.150000 Total energy: -806.827374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.827374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.827374 (E_RNA) where: Base-Base interactions energy: -494.051 where: short stacking energy: -237.895 Base-Backbone interact. energy: -0.392 local terms energy: -312.383837 where: bonds (distance) C4'-P energy: -78.701 bonds (distance) P-C4' energy: -64.703 flat angles C4'-P-C4' energy: -77.097 flat angles P-C4'-P energy: -37.288 tors. eta vs tors. theta energy: -54.594 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: 7, replica: 9 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -647.671469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.671469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.671469 (E_RNA) where: Base-Base interactions energy: -361.345 where: short stacking energy: -187.293 Base-Backbone interact. energy: 1.867 local terms energy: -288.193414 where: bonds (distance) C4'-P energy: -76.709 bonds (distance) P-C4' energy: -75.024 flat angles C4'-P-C4' energy: -61.842 flat angles P-C4'-P energy: -38.672 tors. eta vs tors. theta energy: -35.947 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: 2 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -418.384309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.384309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.384309 (E_RNA) where: Base-Base interactions energy: -186.501 where: short stacking energy: -126.574 Base-Backbone interact. energy: -2.686 local terms energy: -229.196986 where: bonds (distance) C4'-P energy: -68.499 bonds (distance) P-C4' energy: -77.550 flat angles C4'-P-C4' energy: -57.739 flat angles P-C4'-P energy: -31.760 tors. eta vs tors. theta energy: 6.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -392.813249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.813249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.813249 (E_RNA) where: Base-Base interactions energy: -149.918 where: short stacking energy: -112.243 Base-Backbone interact. energy: -0.962 local terms energy: -241.933369 where: bonds (distance) C4'-P energy: -67.011 bonds (distance) P-C4' energy: -80.572 flat angles C4'-P-C4' energy: -75.400 flat angles P-C4'-P energy: -28.745 tors. eta vs tors. theta energy: 9.794 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: 10 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -312.788474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.788474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.788474 (E_RNA) where: Base-Base interactions energy: -94.983 where: short stacking energy: -88.935 Base-Backbone interact. energy: -0.317 local terms energy: -217.487830 where: bonds (distance) C4'-P energy: -67.672 bonds (distance) P-C4' energy: -84.250 flat angles C4'-P-C4' energy: -46.779 flat angles P-C4'-P energy: -22.686 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: 3 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -1267.934298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.934298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.934298 (E_RNA) where: Base-Base interactions energy: -844.700 where: short stacking energy: -380.081 Base-Backbone interact. energy: -2.194 local terms energy: -421.040143 where: bonds (distance) C4'-P energy: -85.306 bonds (distance) P-C4' energy: -90.193 flat angles C4'-P-C4' energy: -86.815 flat angles P-C4'-P energy: -56.111 tors. eta vs tors. theta energy: -102.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -1204.531305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.531305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.531305 (E_RNA) where: Base-Base interactions energy: -811.861 where: short stacking energy: -344.457 Base-Backbone interact. energy: -1.071 local terms energy: -391.598445 where: bonds (distance) C4'-P energy: -73.177 bonds (distance) P-C4' energy: -74.651 flat angles C4'-P-C4' energy: -89.794 flat angles P-C4'-P energy: -60.266 tors. eta vs tors. theta energy: -93.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -1114.383181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.383181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.383181 (E_RNA) where: Base-Base interactions energy: -743.626 where: short stacking energy: -315.746 Base-Backbone interact. energy: -0.571 local terms energy: -370.186859 where: bonds (distance) C4'-P energy: -83.296 bonds (distance) P-C4' energy: -82.538 flat angles C4'-P-C4' energy: -77.916 flat angles P-C4'-P energy: -47.313 tors. eta vs tors. theta energy: -79.125 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: 5 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -1014.108812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.108812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.108812 (E_RNA) where: Base-Base interactions energy: -637.544 where: short stacking energy: -324.335 Base-Backbone interact. energy: -2.911 local terms energy: -373.653944 where: bonds (distance) C4'-P energy: -66.415 bonds (distance) P-C4' energy: -90.437 flat angles C4'-P-C4' energy: -81.554 flat angles P-C4'-P energy: -53.633 tors. eta vs tors. theta energy: -81.615 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: 6 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -948.174825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.174825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.174825 (E_RNA) where: Base-Base interactions energy: -590.921 where: short stacking energy: -278.822 Base-Backbone interact. energy: -1.035 local terms energy: -356.219035 where: bonds (distance) C4'-P energy: -81.570 bonds (distance) P-C4' energy: -69.732 flat angles C4'-P-C4' energy: -76.600 flat angles P-C4'-P energy: -50.834 tors. eta vs tors. theta energy: -77.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -888.336400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.336400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.336400 (E_RNA) where: Base-Base interactions energy: -534.594 where: short stacking energy: -267.283 Base-Backbone interact. energy: -0.238 local terms energy: -353.503495 where: bonds (distance) C4'-P energy: -84.999 bonds (distance) P-C4' energy: -76.219 flat angles C4'-P-C4' energy: -70.702 flat angles P-C4'-P energy: -48.219 tors. eta vs tors. theta energy: -73.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -714.665863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.665863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.665863 (E_RNA) where: Base-Base interactions energy: -436.394 where: short stacking energy: -221.521 Base-Backbone interact. energy: -3.173 local terms energy: -275.098107 where: bonds (distance) C4'-P energy: -54.072 bonds (distance) P-C4' energy: -73.761 flat angles C4'-P-C4' energy: -69.428 flat angles P-C4'-P energy: -36.977 tors. eta vs tors. theta energy: -40.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -386.776100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.776100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.776100 (E_RNA) where: Base-Base interactions energy: -161.478 where: short stacking energy: -126.410 Base-Backbone interact. energy: 1.968 local terms energy: -227.265950 where: bonds (distance) C4'-P energy: -56.915 bonds (distance) P-C4' energy: -68.343 flat angles C4'-P-C4' energy: -59.110 flat angles P-C4'-P energy: -45.056 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: 9, replica: 2 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -370.359471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.359471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.359471 (E_RNA) where: Base-Base interactions energy: -129.169 where: short stacking energy: -104.124 Base-Backbone interact. energy: -1.241 local terms energy: -239.949455 where: bonds (distance) C4'-P energy: -58.458 bonds (distance) P-C4' energy: -75.893 flat angles C4'-P-C4' energy: -76.720 flat angles P-C4'-P energy: -36.528 tors. eta vs tors. theta energy: 7.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -343.862946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.862946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.862946 (E_RNA) where: Base-Base interactions energy: -114.918 where: short stacking energy: -117.502 Base-Backbone interact. energy: -0.652 local terms energy: -228.293397 where: bonds (distance) C4'-P energy: -63.106 bonds (distance) P-C4' energy: -69.705 flat angles C4'-P-C4' energy: -69.081 flat angles P-C4'-P energy: -27.043 tors. eta vs tors. theta energy: 0.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -1237.487940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.487940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.487940 (E_RNA) where: Base-Base interactions energy: -831.283 where: short stacking energy: -367.561 Base-Backbone interact. energy: 0.854 local terms energy: -407.058423 where: bonds (distance) C4'-P energy: -85.164 bonds (distance) P-C4' energy: -85.545 flat angles C4'-P-C4' energy: -84.848 flat angles P-C4'-P energy: -58.605 tors. eta vs tors. theta energy: -92.896 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: 36 Temperature: 0.950000 Total energy: -1237.805293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.805293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.805293 (E_RNA) where: Base-Base interactions energy: -829.170 where: short stacking energy: -364.863 Base-Backbone interact. energy: 1.712 local terms energy: -410.346833 where: bonds (distance) C4'-P energy: -81.032 bonds (distance) P-C4' energy: -73.010 flat angles C4'-P-C4' energy: -87.961 flat angles P-C4'-P energy: -66.443 tors. eta vs tors. theta energy: -101.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -1115.845419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.845419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.845419 (E_RNA) where: Base-Base interactions energy: -759.089 where: short stacking energy: -321.405 Base-Backbone interact. energy: -1.281 local terms energy: -355.475836 where: bonds (distance) C4'-P energy: -74.376 bonds (distance) P-C4' energy: -75.849 flat angles C4'-P-C4' energy: -87.123 flat angles P-C4'-P energy: -41.459 tors. eta vs tors. theta energy: -76.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -1002.352135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.352135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.352135 (E_RNA) where: Base-Base interactions energy: -652.095 where: short stacking energy: -311.202 Base-Backbone interact. energy: 0.402 local terms energy: -350.659432 where: bonds (distance) C4'-P energy: -75.097 bonds (distance) P-C4' energy: -67.083 flat angles C4'-P-C4' energy: -79.680 flat angles P-C4'-P energy: -51.373 tors. eta vs tors. theta energy: -77.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -901.235662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.235662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.235662 (E_RNA) where: Base-Base interactions energy: -590.275 where: short stacking energy: -254.438 Base-Backbone interact. energy: -2.892 local terms energy: -308.068535 where: bonds (distance) C4'-P energy: -62.523 bonds (distance) P-C4' energy: -71.334 flat angles C4'-P-C4' energy: -73.496 flat angles P-C4'-P energy: -43.811 tors. eta vs tors. theta energy: -56.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -865.860449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.860449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.860449 (E_RNA) where: Base-Base interactions energy: -562.111 where: short stacking energy: -251.027 Base-Backbone interact. energy: -0.795 local terms energy: -302.954718 where: bonds (distance) C4'-P energy: -67.605 bonds (distance) P-C4' energy: -58.371 flat angles C4'-P-C4' energy: -78.204 flat angles P-C4'-P energy: -40.251 tors. eta vs tors. theta energy: -58.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -711.472196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.472196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.472196 (E_RNA) where: Base-Base interactions energy: -414.283 where: short stacking energy: -210.760 Base-Backbone interact. energy: -2.401 local terms energy: -294.788553 where: bonds (distance) C4'-P energy: -60.664 bonds (distance) P-C4' energy: -69.007 flat angles C4'-P-C4' energy: -68.012 flat angles P-C4'-P energy: -53.659 tors. eta vs tors. theta energy: -43.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -392.592338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.592338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.592338 (E_RNA) where: Base-Base interactions energy: -144.965 where: short stacking energy: -118.835 Base-Backbone interact. energy: 1.670 local terms energy: -249.296654 where: bonds (distance) C4'-P energy: -64.431 bonds (distance) P-C4' energy: -71.131 flat angles C4'-P-C4' energy: -64.363 flat angles P-C4'-P energy: -43.559 tors. eta vs tors. theta energy: -5.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -371.024925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.024925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.024925 (E_RNA) where: Base-Base interactions energy: -132.876 where: short stacking energy: -129.965 Base-Backbone interact. energy: 5.295 local terms energy: -243.444495 where: bonds (distance) C4'-P energy: -62.377 bonds (distance) P-C4' energy: -66.241 flat angles C4'-P-C4' energy: -67.361 flat angles P-C4'-P energy: -27.760 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: 10, replica: 2 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -335.574787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.574787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.574787 (E_RNA) where: Base-Base interactions energy: -148.268 where: short stacking energy: -99.627 Base-Backbone interact. energy: 2.828 local terms energy: -190.134923 where: bonds (distance) C4'-P energy: -72.820 bonds (distance) P-C4' energy: -56.375 flat angles C4'-P-C4' energy: -62.686 flat angles P-C4'-P energy: -10.093 tors. eta vs tors. theta energy: 11.839 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: 1 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -1230.491212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.491212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.491212 (E_RNA) where: Base-Base interactions energy: -814.810 where: short stacking energy: -374.121 Base-Backbone interact. energy: 1.153 local terms energy: -416.834574 where: bonds (distance) C4'-P energy: -82.190 bonds (distance) P-C4' energy: -81.258 flat angles C4'-P-C4' energy: -89.416 flat angles P-C4'-P energy: -62.852 tors. eta vs tors. theta energy: -101.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -1226.755008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.755008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.755008 (E_RNA) where: Base-Base interactions energy: -820.826 where: short stacking energy: -354.306 Base-Backbone interact. energy: -0.331 local terms energy: -405.597757 where: bonds (distance) C4'-P energy: -78.285 bonds (distance) P-C4' energy: -82.037 flat angles C4'-P-C4' energy: -86.287 flat angles P-C4'-P energy: -58.306 tors. eta vs tors. theta energy: -100.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -1101.483707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.483707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.483707 (E_RNA) where: Base-Base interactions energy: -722.308 where: short stacking energy: -324.709 Base-Backbone interact. energy: -1.528 local terms energy: -377.648279 where: bonds (distance) C4'-P energy: -82.871 bonds (distance) P-C4' energy: -84.451 flat angles C4'-P-C4' energy: -66.871 flat angles P-C4'-P energy: -50.695 tors. eta vs tors. theta energy: -92.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -992.950339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.950339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.950339 (E_RNA) where: Base-Base interactions energy: -623.208 where: short stacking energy: -325.831 Base-Backbone interact. energy: -0.714 local terms energy: -369.028131 where: bonds (distance) C4'-P energy: -70.099 bonds (distance) P-C4' energy: -85.791 flat angles C4'-P-C4' energy: -73.633 flat angles P-C4'-P energy: -60.570 tors. eta vs tors. theta energy: -78.935 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: 6 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -848.263684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.263684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.263684 (E_RNA) where: Base-Base interactions energy: -543.954 where: short stacking energy: -244.113 Base-Backbone interact. energy: 0.582 local terms energy: -304.892417 where: bonds (distance) C4'-P energy: -69.331 bonds (distance) P-C4' energy: -78.064 flat angles C4'-P-C4' energy: -76.333 flat angles P-C4'-P energy: -39.625 tors. eta vs tors. theta energy: -41.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -878.798549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.798549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.798549 (E_RNA) where: Base-Base interactions energy: -579.565 where: short stacking energy: -274.091 Base-Backbone interact. energy: -0.238 local terms energy: -298.995163 where: bonds (distance) C4'-P energy: -68.443 bonds (distance) P-C4' energy: -65.521 flat angles C4'-P-C4' energy: -77.587 flat angles P-C4'-P energy: -41.613 tors. eta vs tors. theta energy: -45.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -749.528608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.528608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.528608 (E_RNA) where: Base-Base interactions energy: -450.707 where: short stacking energy: -225.968 Base-Backbone interact. energy: -3.328 local terms energy: -295.493553 where: bonds (distance) C4'-P energy: -68.832 bonds (distance) P-C4' energy: -60.788 flat angles C4'-P-C4' energy: -71.270 flat angles P-C4'-P energy: -42.753 tors. eta vs tors. theta energy: -51.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -361.706884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.706884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.706884 (E_RNA) where: Base-Base interactions energy: -138.242 where: short stacking energy: -99.443 Base-Backbone interact. energy: -0.830 local terms energy: -222.635036 where: bonds (distance) C4'-P energy: -65.644 bonds (distance) P-C4' energy: -69.122 flat angles C4'-P-C4' energy: -64.257 flat angles P-C4'-P energy: -30.352 tors. eta vs tors. theta energy: 6.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -376.258352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.258352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.258352 (E_RNA) where: Base-Base interactions energy: -142.372 where: short stacking energy: -123.666 Base-Backbone interact. energy: 3.027 local terms energy: -236.913702 where: bonds (distance) C4'-P energy: -65.796 bonds (distance) P-C4' energy: -74.806 flat angles C4'-P-C4' energy: -52.303 flat angles P-C4'-P energy: -47.409 tors. eta vs tors. theta energy: 3.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -317.498950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.498950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.498950 (E_RNA) where: Base-Base interactions energy: -112.905 where: short stacking energy: -109.297 Base-Backbone interact. energy: 0.447 local terms energy: -205.040965 where: bonds (distance) C4'-P energy: -63.923 bonds (distance) P-C4' energy: -64.024 flat angles C4'-P-C4' energy: -54.229 flat angles P-C4'-P energy: -35.058 tors. eta vs tors. theta energy: 12.194 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: 1, replica: 3 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -1273.881827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.881827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.881827 (E_RNA) where: Base-Base interactions energy: -863.641 where: short stacking energy: -386.510 Base-Backbone interact. energy: -1.611 local terms energy: -408.629432 where: bonds (distance) C4'-P energy: -93.913 bonds (distance) P-C4' energy: -71.913 flat angles C4'-P-C4' energy: -83.560 flat angles P-C4'-P energy: -59.860 tors. eta vs tors. theta energy: -99.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -1209.590285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.590285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.590285 (E_RNA) where: Base-Base interactions energy: -818.245 where: short stacking energy: -354.972 Base-Backbone interact. energy: -3.036 local terms energy: -388.310049 where: bonds (distance) C4'-P energy: -67.040 bonds (distance) P-C4' energy: -92.689 flat angles C4'-P-C4' energy: -87.768 flat angles P-C4'-P energy: -45.695 tors. eta vs tors. theta energy: -95.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -1102.113256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.113256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.113256 (E_RNA) where: Base-Base interactions energy: -717.599 where: short stacking energy: -320.801 Base-Backbone interact. energy: 2.285 local terms energy: -386.799708 where: bonds (distance) C4'-P energy: -79.617 bonds (distance) P-C4' energy: -88.770 flat angles C4'-P-C4' energy: -78.374 flat angles P-C4'-P energy: -49.802 tors. eta vs tors. theta energy: -90.236 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: 5 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -1001.739660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.739660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.739660 (E_RNA) where: Base-Base interactions energy: -626.559 where: short stacking energy: -316.019 Base-Backbone interact. energy: 0.273 local terms energy: -375.453990 where: bonds (distance) C4'-P energy: -61.563 bonds (distance) P-C4' energy: -86.395 flat angles C4'-P-C4' energy: -85.656 flat angles P-C4'-P energy: -49.204 tors. eta vs tors. theta energy: -92.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -881.266169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.266169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.266169 (E_RNA) where: Base-Base interactions energy: -570.322 where: short stacking energy: -248.937 Base-Backbone interact. energy: -3.305 local terms energy: -307.639211 where: bonds (distance) C4'-P energy: -82.188 bonds (distance) P-C4' energy: -67.964 flat angles C4'-P-C4' energy: -68.110 flat angles P-C4'-P energy: -46.282 tors. eta vs tors. theta energy: -43.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -850.259594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.259594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.259594 (E_RNA) where: Base-Base interactions energy: -517.204 where: short stacking energy: -243.401 Base-Backbone interact. energy: 1.372 local terms energy: -334.427756 where: bonds (distance) C4'-P energy: -79.672 bonds (distance) P-C4' energy: -67.822 flat angles C4'-P-C4' energy: -80.511 flat angles P-C4'-P energy: -57.413 tors. eta vs tors. theta energy: -49.010 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: 9 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -760.428049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.428049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.428049 (E_RNA) where: Base-Base interactions energy: -445.118 where: short stacking energy: -188.464 Base-Backbone interact. energy: 6.271 local terms energy: -321.581924 where: bonds (distance) C4'-P energy: -71.233 bonds (distance) P-C4' energy: -92.635 flat angles C4'-P-C4' energy: -90.110 flat angles P-C4'-P energy: -32.593 tors. eta vs tors. theta energy: -35.011 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: 4 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -407.287499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.287499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.287499 (E_RNA) where: Base-Base interactions energy: -177.678 where: short stacking energy: -149.200 Base-Backbone interact. energy: 1.670 local terms energy: -231.279009 where: bonds (distance) C4'-P energy: -65.851 bonds (distance) P-C4' energy: -78.105 flat angles C4'-P-C4' energy: -50.928 flat angles P-C4'-P energy: -32.608 tors. eta vs tors. theta energy: -3.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -344.722048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.722048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.722048 (E_RNA) where: Base-Base interactions energy: -105.432 where: short stacking energy: -93.621 Base-Backbone interact. energy: 3.468 local terms energy: -242.758094 where: bonds (distance) C4'-P energy: -68.398 bonds (distance) P-C4' energy: -81.532 flat angles C4'-P-C4' energy: -63.959 flat angles P-C4'-P energy: -36.985 tors. eta vs tors. theta energy: 8.116 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: 10, replica: 10 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -329.618950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.618950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.618950 (E_RNA) where: Base-Base interactions energy: -90.703 where: short stacking energy: -85.292 Base-Backbone interact. energy: 0.919 local terms energy: -239.835188 where: bonds (distance) C4'-P energy: -72.093 bonds (distance) P-C4' energy: -81.961 flat angles C4'-P-C4' energy: -53.147 flat angles P-C4'-P energy: -44.146 tors. eta vs tors. theta energy: 11.512 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: 3 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -1322.884117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.884117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.884117 (E_RNA) where: Base-Base interactions energy: -909.882 where: short stacking energy: -403.163 Base-Backbone interact. energy: -1.880 local terms energy: -411.122122 where: bonds (distance) C4'-P energy: -74.773 bonds (distance) P-C4' energy: -85.954 flat angles C4'-P-C4' energy: -86.690 flat angles P-C4'-P energy: -50.525 tors. eta vs tors. theta energy: -113.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -1217.871391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.871391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.871391 (E_RNA) where: Base-Base interactions energy: -821.339 where: short stacking energy: -361.920 Base-Backbone interact. energy: -0.052 local terms energy: -396.480310 where: bonds (distance) C4'-P energy: -80.416 bonds (distance) P-C4' energy: -71.071 flat angles C4'-P-C4' energy: -89.996 flat angles P-C4'-P energy: -54.767 tors. eta vs tors. theta energy: -100.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -1083.783324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.783324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.783324 (E_RNA) where: Base-Base interactions energy: -710.229 where: short stacking energy: -310.377 Base-Backbone interact. energy: -2.293 local terms energy: -371.261041 where: bonds (distance) C4'-P energy: -72.968 bonds (distance) P-C4' energy: -73.852 flat angles C4'-P-C4' energy: -89.356 flat angles P-C4'-P energy: -54.893 tors. eta vs tors. theta energy: -80.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -993.655164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.655164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.655164 (E_RNA) where: Base-Base interactions energy: -617.569 where: short stacking energy: -294.041 Base-Backbone interact. energy: -2.181 local terms energy: -373.905253 where: bonds (distance) C4'-P energy: -80.871 bonds (distance) P-C4' energy: -83.643 flat angles C4'-P-C4' energy: -81.762 flat angles P-C4'-P energy: -59.253 tors. eta vs tors. theta energy: -68.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -861.877930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.877930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.877930 (E_RNA) where: Base-Base interactions energy: -544.251 where: short stacking energy: -252.579 Base-Backbone interact. energy: 0.702 local terms energy: -318.328915 where: bonds (distance) C4'-P energy: -68.486 bonds (distance) P-C4' energy: -72.847 flat angles C4'-P-C4' energy: -66.454 flat angles P-C4'-P energy: -61.017 tors. eta vs tors. theta energy: -49.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -865.160544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.160544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.160544 (E_RNA) where: Base-Base interactions energy: -563.053 where: short stacking energy: -247.077 Base-Backbone interact. energy: -0.634 local terms energy: -301.473486 where: bonds (distance) C4'-P energy: -61.468 bonds (distance) P-C4' energy: -71.477 flat angles C4'-P-C4' energy: -67.545 flat angles P-C4'-P energy: -43.592 tors. eta vs tors. theta energy: -57.392 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: 7, replica: 9 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -795.413153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.413153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.413153 (E_RNA) where: Base-Base interactions energy: -493.012 where: short stacking energy: -242.719 Base-Backbone interact. energy: -0.649 local terms energy: -301.751794 where: bonds (distance) C4'-P energy: -56.488 bonds (distance) P-C4' energy: -71.374 flat angles C4'-P-C4' energy: -79.605 flat angles P-C4'-P energy: -34.780 tors. eta vs tors. theta energy: -59.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -402.192651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.192651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.192651 (E_RNA) where: Base-Base interactions energy: -154.028 where: short stacking energy: -115.436 Base-Backbone interact. energy: -0.118 local terms energy: -248.046102 where: bonds (distance) C4'-P energy: -69.898 bonds (distance) P-C4' energy: -69.373 flat angles C4'-P-C4' energy: -69.102 flat angles P-C4'-P energy: -34.061 tors. eta vs tors. theta energy: -5.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -349.320858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.320858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.320858 (E_RNA) where: Base-Base interactions energy: -134.801 where: short stacking energy: -90.393 Base-Backbone interact. energy: 2.497 local terms energy: -217.017198 where: bonds (distance) C4'-P energy: -58.873 bonds (distance) P-C4' energy: -72.758 flat angles C4'-P-C4' energy: -62.096 flat angles P-C4'-P energy: -32.793 tors. eta vs tors. theta energy: 9.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -304.912510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -304.912510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -304.912510 (E_RNA) where: Base-Base interactions energy: -89.808 where: short stacking energy: -80.346 Base-Backbone interact. energy: -1.322 local terms energy: -213.783403 where: bonds (distance) C4'-P energy: -57.880 bonds (distance) P-C4' energy: -68.516 flat angles C4'-P-C4' energy: -60.369 flat angles P-C4'-P energy: -29.235 tors. eta vs tors. theta energy: 2.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -1319.815183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.815183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.815183 (E_RNA) where: Base-Base interactions energy: -900.777 where: short stacking energy: -388.811 Base-Backbone interact. energy: -0.684 local terms energy: -418.354213 where: bonds (distance) C4'-P energy: -82.410 bonds (distance) P-C4' energy: -77.418 flat angles C4'-P-C4' energy: -84.755 flat angles P-C4'-P energy: -57.467 tors. eta vs tors. theta energy: -116.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -1202.710275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.710275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.710275 (E_RNA) where: Base-Base interactions energy: -816.659 where: short stacking energy: -341.120 Base-Backbone interact. energy: -1.230 local terms energy: -384.821590 where: bonds (distance) C4'-P energy: -78.662 bonds (distance) P-C4' energy: -75.190 flat angles C4'-P-C4' energy: -80.234 flat angles P-C4'-P energy: -56.315 tors. eta vs tors. theta energy: -94.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -1062.020379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.020379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.020379 (E_RNA) where: Base-Base interactions energy: -667.138 where: short stacking energy: -347.474 Base-Backbone interact. energy: -1.268 local terms energy: -393.614497 where: bonds (distance) C4'-P energy: -78.370 bonds (distance) P-C4' energy: -85.387 flat angles C4'-P-C4' energy: -75.449 flat angles P-C4'-P energy: -47.949 tors. eta vs tors. theta energy: -106.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -1042.020572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.020572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.020572 (E_RNA) where: Base-Base interactions energy: -678.206 where: short stacking energy: -304.168 Base-Backbone interact. energy: -1.416 local terms energy: -362.399077 where: bonds (distance) C4'-P energy: -65.272 bonds (distance) P-C4' energy: -80.134 flat angles C4'-P-C4' energy: -83.651 flat angles P-C4'-P energy: -50.691 tors. eta vs tors. theta energy: -82.652 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: 7 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -942.180825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.180825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.180825 (E_RNA) where: Base-Base interactions energy: -607.777 where: short stacking energy: -258.215 Base-Backbone interact. energy: 0.320 local terms energy: -334.724344 where: bonds (distance) C4'-P energy: -64.567 bonds (distance) P-C4' energy: -80.714 flat angles C4'-P-C4' energy: -74.572 flat angles P-C4'-P energy: -44.050 tors. eta vs tors. theta energy: -70.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -832.826111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.826111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.826111 (E_RNA) where: Base-Base interactions energy: -509.156 where: short stacking energy: -250.975 Base-Backbone interact. energy: 1.240 local terms energy: -324.909250 where: bonds (distance) C4'-P energy: -70.405 bonds (distance) P-C4' energy: -77.168 flat angles C4'-P-C4' energy: -70.428 flat angles P-C4'-P energy: -37.076 tors. eta vs tors. theta energy: -69.832 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: 40 Temperature: 1.200000 Total energy: -789.093257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.093257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.093257 (E_RNA) where: Base-Base interactions energy: -501.879 where: short stacking energy: -228.479 Base-Backbone interact. energy: -0.621 local terms energy: -286.593456 where: bonds (distance) C4'-P energy: -56.083 bonds (distance) P-C4' energy: -71.118 flat angles C4'-P-C4' energy: -68.505 flat angles P-C4'-P energy: -48.790 tors. eta vs tors. theta energy: -42.097 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: 4 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -425.275411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.275411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.275411 (E_RNA) where: Base-Base interactions energy: -173.760 where: short stacking energy: -115.666 Base-Backbone interact. energy: -0.342 local terms energy: -251.173412 where: bonds (distance) C4'-P energy: -73.853 bonds (distance) P-C4' energy: -78.460 flat angles C4'-P-C4' energy: -64.057 flat angles P-C4'-P energy: -33.846 tors. eta vs tors. theta energy: -0.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -348.141720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.141720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.141720 (E_RNA) where: Base-Base interactions energy: -136.101 where: short stacking energy: -106.299 Base-Backbone interact. energy: -1.717 local terms energy: -210.323507 where: bonds (distance) C4'-P energy: -51.932 bonds (distance) P-C4' energy: -75.240 flat angles C4'-P-C4' energy: -60.787 flat angles P-C4'-P energy: -22.128 tors. eta vs tors. theta energy: -0.237 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: 10, replica: 2 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -317.334262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.334262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.334262 (E_RNA) where: Base-Base interactions energy: -120.736 where: short stacking energy: -76.295 Base-Backbone interact. energy: -0.400 local terms energy: -196.198659 where: bonds (distance) C4'-P energy: -68.919 bonds (distance) P-C4' energy: -51.279 flat angles C4'-P-C4' energy: -59.813 flat angles P-C4'-P energy: -40.220 tors. eta vs tors. theta energy: 24.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -1311.346009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.346009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.346009 (E_RNA) where: Base-Base interactions energy: -883.016 where: short stacking energy: -396.597 Base-Backbone interact. energy: -2.911 local terms energy: -425.419189 where: bonds (distance) C4'-P energy: -81.845 bonds (distance) P-C4' energy: -83.406 flat angles C4'-P-C4' energy: -87.261 flat angles P-C4'-P energy: -64.216 tors. eta vs tors. theta energy: -108.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -1190.677049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.677049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.677049 (E_RNA) where: Base-Base interactions energy: -787.682 where: short stacking energy: -353.182 Base-Backbone interact. energy: -0.722 local terms energy: -402.273009 where: bonds (distance) C4'-P energy: -74.652 bonds (distance) P-C4' energy: -90.001 flat angles C4'-P-C4' energy: -84.782 flat angles P-C4'-P energy: -59.155 tors. eta vs tors. theta energy: -93.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -1057.427344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.427344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.427344 (E_RNA) where: Base-Base interactions energy: -658.738 where: short stacking energy: -325.992 Base-Backbone interact. energy: -3.410 local terms energy: -395.279232 where: bonds (distance) C4'-P energy: -81.306 bonds (distance) P-C4' energy: -73.950 flat angles C4'-P-C4' energy: -82.939 flat angles P-C4'-P energy: -64.229 tors. eta vs tors. theta energy: -92.855 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: 8 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -1054.132480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.132480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.132480 (E_RNA) where: Base-Base interactions energy: -680.476 where: short stacking energy: -313.477 Base-Backbone interact. energy: -2.212 local terms energy: -371.443752 where: bonds (distance) C4'-P energy: -78.656 bonds (distance) P-C4' energy: -73.025 flat angles C4'-P-C4' energy: -82.927 flat angles P-C4'-P energy: -54.408 tors. eta vs tors. theta energy: -82.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -966.051748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.051748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.051748 (E_RNA) where: Base-Base interactions energy: -593.452 where: short stacking energy: -261.600 Base-Backbone interact. energy: -3.365 local terms energy: -369.234685 where: bonds (distance) C4'-P energy: -81.869 bonds (distance) P-C4' energy: -84.989 flat angles C4'-P-C4' energy: -76.185 flat angles P-C4'-P energy: -57.454 tors. eta vs tors. theta energy: -68.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -917.088717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.088717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.088717 (E_RNA) where: Base-Base interactions energy: -591.754 where: short stacking energy: -268.819 Base-Backbone interact. energy: 0.107 local terms energy: -325.441546 where: bonds (distance) C4'-P energy: -61.599 bonds (distance) P-C4' energy: -79.696 flat angles C4'-P-C4' energy: -74.692 flat angles P-C4'-P energy: -43.561 tors. eta vs tors. theta energy: -65.895 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: 6 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -657.780301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.780301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.780301 (E_RNA) where: Base-Base interactions energy: -355.105 where: short stacking energy: -198.321 Base-Backbone interact. energy: 0.476 local terms energy: -303.151118 where: bonds (distance) C4'-P energy: -66.098 bonds (distance) P-C4' energy: -73.066 flat angles C4'-P-C4' energy: -72.382 flat angles P-C4'-P energy: -51.800 tors. eta vs tors. theta energy: -39.805 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: 4 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -395.485080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.485080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.485080 (E_RNA) where: Base-Base interactions energy: -151.752 where: short stacking energy: -125.651 Base-Backbone interact. energy: -1.631 local terms energy: -242.101165 where: bonds (distance) C4'-P energy: -74.763 bonds (distance) P-C4' energy: -78.785 flat angles C4'-P-C4' energy: -48.902 flat angles P-C4'-P energy: -29.835 tors. eta vs tors. theta energy: -9.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -388.022054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.022054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.022054 (E_RNA) where: Base-Base interactions energy: -136.250 where: short stacking energy: -126.552 Base-Backbone interact. energy: -0.680 local terms energy: -251.091550 where: bonds (distance) C4'-P energy: -58.081 bonds (distance) P-C4' energy: -75.827 flat angles C4'-P-C4' energy: -69.061 flat angles P-C4'-P energy: -35.629 tors. eta vs tors. theta energy: -12.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -314.466179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.466179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.466179 (E_RNA) where: Base-Base interactions energy: -101.584 where: short stacking energy: -84.874 Base-Backbone interact. energy: 4.058 local terms energy: -216.940604 where: bonds (distance) C4'-P energy: -63.834 bonds (distance) P-C4' energy: -62.953 flat angles C4'-P-C4' energy: -68.142 flat angles P-C4'-P energy: -34.580 tors. eta vs tors. theta energy: 12.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -1318.996446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.996446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.996446 (E_RNA) where: Base-Base interactions energy: -904.293 where: short stacking energy: -390.555 Base-Backbone interact. energy: -0.439 local terms energy: -414.264345 where: bonds (distance) C4'-P energy: -79.394 bonds (distance) P-C4' energy: -79.351 flat angles C4'-P-C4' energy: -91.279 flat angles P-C4'-P energy: -52.125 tors. eta vs tors. theta energy: -112.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -1217.568529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.568529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.568529 (E_RNA) where: Base-Base interactions energy: -804.945 where: short stacking energy: -364.471 Base-Backbone interact. energy: -0.875 local terms energy: -411.748976 where: bonds (distance) C4'-P energy: -83.030 bonds (distance) P-C4' energy: -90.129 flat angles C4'-P-C4' energy: -82.942 flat angles P-C4'-P energy: -56.099 tors. eta vs tors. theta energy: -99.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -1058.591795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.591795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.591795 (E_RNA) where: Base-Base interactions energy: -674.147 where: short stacking energy: -330.132 Base-Backbone interact. energy: -1.793 local terms energy: -382.651463 where: bonds (distance) C4'-P energy: -76.301 bonds (distance) P-C4' energy: -76.802 flat angles C4'-P-C4' energy: -82.257 flat angles P-C4'-P energy: -51.472 tors. eta vs tors. theta energy: -95.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -1048.217484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.217484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.217484 (E_RNA) where: Base-Base interactions energy: -669.516 where: short stacking energy: -297.250 Base-Backbone interact. energy: -0.794 local terms energy: -377.906927 where: bonds (distance) C4'-P energy: -71.778 bonds (distance) P-C4' energy: -76.118 flat angles C4'-P-C4' energy: -88.085 flat angles P-C4'-P energy: -52.903 tors. eta vs tors. theta energy: -89.023 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: 5, replica: 7 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -932.875710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.875710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.875710 (E_RNA) where: Base-Base interactions energy: -580.398 where: short stacking energy: -268.752 Base-Backbone interact. energy: -2.169 local terms energy: -350.308207 where: bonds (distance) C4'-P energy: -66.954 bonds (distance) P-C4' energy: -80.502 flat angles C4'-P-C4' energy: -79.924 flat angles P-C4'-P energy: -46.513 tors. eta vs tors. theta energy: -76.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -891.646003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.646003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.646003 (E_RNA) where: Base-Base interactions energy: -572.276 where: short stacking energy: -247.670 Base-Backbone interact. energy: 0.006 local terms energy: -319.375914 where: bonds (distance) C4'-P energy: -66.677 bonds (distance) P-C4' energy: -59.337 flat angles C4'-P-C4' energy: -76.506 flat angles P-C4'-P energy: -48.397 tors. eta vs tors. theta energy: -68.460 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: 7, replica: 6 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -764.799946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.799946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.799946 (E_RNA) where: Base-Base interactions energy: -474.528 where: short stacking energy: -227.100 Base-Backbone interact. energy: -0.699 local terms energy: -289.573352 where: bonds (distance) C4'-P energy: -55.544 bonds (distance) P-C4' energy: -65.780 flat angles C4'-P-C4' energy: -78.394 flat angles P-C4'-P energy: -46.500 tors. eta vs tors. theta energy: -43.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -380.798023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.798023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.798023 (E_RNA) where: Base-Base interactions energy: -127.131 where: short stacking energy: -103.039 Base-Backbone interact. energy: -0.888 local terms energy: -252.779605 where: bonds (distance) C4'-P energy: -74.744 bonds (distance) P-C4' energy: -74.787 flat angles C4'-P-C4' energy: -67.773 flat angles P-C4'-P energy: -36.143 tors. eta vs tors. theta energy: 0.667 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: 10 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -357.732173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.732173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.732173 (E_RNA) where: Base-Base interactions energy: -143.653 where: short stacking energy: -102.910 Base-Backbone interact. energy: 2.155 local terms energy: -216.234172 where: bonds (distance) C4'-P energy: -69.964 bonds (distance) P-C4' energy: -63.286 flat angles C4'-P-C4' energy: -64.269 flat angles P-C4'-P energy: -29.225 tors. eta vs tors. theta energy: 10.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -334.515018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.515018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.515018 (E_RNA) where: Base-Base interactions energy: -121.217 where: short stacking energy: -103.048 Base-Backbone interact. energy: 1.676 local terms energy: -214.973991 where: bonds (distance) C4'-P energy: -63.040 bonds (distance) P-C4' energy: -75.453 flat angles C4'-P-C4' energy: -60.604 flat angles P-C4'-P energy: -29.823 tors. eta vs tors. theta energy: 13.946 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: 43 Temperature: 0.900000 Total energy: -1328.217771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.217771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.217771 (E_RNA) where: Base-Base interactions energy: -896.247 where: short stacking energy: -387.537 Base-Backbone interact. energy: -3.215 local terms energy: -428.755679 where: bonds (distance) C4'-P energy: -85.992 bonds (distance) P-C4' energy: -82.588 flat angles C4'-P-C4' energy: -90.366 flat angles P-C4'-P energy: -59.381 tors. eta vs tors. theta energy: -110.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -1182.134737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.134737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.134737 (E_RNA) where: Base-Base interactions energy: -756.601 where: short stacking energy: -336.715 Base-Backbone interact. energy: -4.360 local terms energy: -421.173718 where: bonds (distance) C4'-P energy: -86.706 bonds (distance) P-C4' energy: -82.871 flat angles C4'-P-C4' energy: -87.263 flat angles P-C4'-P energy: -61.399 tors. eta vs tors. theta energy: -102.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -1070.665296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.665296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.665296 (E_RNA) where: Base-Base interactions energy: -685.409 where: short stacking energy: -316.223 Base-Backbone interact. energy: 1.621 local terms energy: -386.876541 where: bonds (distance) C4'-P energy: -75.357 bonds (distance) P-C4' energy: -88.585 flat angles C4'-P-C4' energy: -86.041 flat angles P-C4'-P energy: -47.405 tors. eta vs tors. theta energy: -89.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -977.359814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.359814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.359814 (E_RNA) where: Base-Base interactions energy: -629.376 where: short stacking energy: -288.979 Base-Backbone interact. energy: -1.168 local terms energy: -346.816215 where: bonds (distance) C4'-P energy: -61.616 bonds (distance) P-C4' energy: -82.967 flat angles C4'-P-C4' energy: -69.722 flat angles P-C4'-P energy: -57.743 tors. eta vs tors. theta energy: -74.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -1015.449435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.449435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.449435 (E_RNA) where: Base-Base interactions energy: -648.644 where: short stacking energy: -306.069 Base-Backbone interact. energy: -0.842 local terms energy: -365.963229 where: bonds (distance) C4'-P energy: -78.125 bonds (distance) P-C4' energy: -75.059 flat angles C4'-P-C4' energy: -78.864 flat angles P-C4'-P energy: -51.050 tors. eta vs tors. theta energy: -82.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -859.609943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.609943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.609943 (E_RNA) where: Base-Base interactions energy: -551.648 where: short stacking energy: -261.150 Base-Backbone interact. energy: -2.206 local terms energy: -305.756396 where: bonds (distance) C4'-P energy: -67.593 bonds (distance) P-C4' energy: -59.050 flat angles C4'-P-C4' energy: -70.884 flat angles P-C4'-P energy: -48.177 tors. eta vs tors. theta energy: -60.053 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: 6 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -738.015645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.015645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.015645 (E_RNA) where: Base-Base interactions energy: -455.417 where: short stacking energy: -225.715 Base-Backbone interact. energy: 1.706 local terms energy: -284.304892 where: bonds (distance) C4'-P energy: -75.450 bonds (distance) P-C4' energy: -63.979 flat angles C4'-P-C4' energy: -65.944 flat angles P-C4'-P energy: -37.203 tors. eta vs tors. theta energy: -41.729 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: 8, replica: 10 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -397.235653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.235653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.235653 (E_RNA) where: Base-Base interactions energy: -140.025 where: short stacking energy: -106.390 Base-Backbone interact. energy: -1.506 local terms energy: -255.704755 where: bonds (distance) C4'-P energy: -81.547 bonds (distance) P-C4' energy: -67.288 flat angles C4'-P-C4' energy: -68.805 flat angles P-C4'-P energy: -45.826 tors. eta vs tors. theta energy: 7.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -354.486968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.486968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.486968 (E_RNA) where: Base-Base interactions energy: -133.710 where: short stacking energy: -110.269 Base-Backbone interact. energy: 0.271 local terms energy: -221.047950 where: bonds (distance) C4'-P energy: -65.965 bonds (distance) P-C4' energy: -68.288 flat angles C4'-P-C4' energy: -49.837 flat angles P-C4'-P energy: -34.239 tors. eta vs tors. theta energy: -2.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -344.617463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.617463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.617463 (E_RNA) where: Base-Base interactions energy: -122.776 where: short stacking energy: -98.052 Base-Backbone interact. energy: 0.104 local terms energy: -221.945233 where: bonds (distance) C4'-P energy: -62.155 bonds (distance) P-C4' energy: -74.466 flat angles C4'-P-C4' energy: -57.272 flat angles P-C4'-P energy: -36.748 tors. eta vs tors. theta energy: 8.696 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: 1, replica: 3 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -1333.338208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.338208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.338208 (E_RNA) where: Base-Base interactions energy: -912.731 where: short stacking energy: -385.648 Base-Backbone interact. energy: -1.605 local terms energy: -419.001718 where: bonds (distance) C4'-P energy: -77.904 bonds (distance) P-C4' energy: -87.604 flat angles C4'-P-C4' energy: -96.013 flat angles P-C4'-P energy: -48.493 tors. eta vs tors. theta energy: -108.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -1212.642021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.642021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.642021 (E_RNA) where: Base-Base interactions energy: -800.887 where: short stacking energy: -364.589 Base-Backbone interact. energy: 1.093 local terms energy: -412.848914 where: bonds (distance) C4'-P energy: -81.358 bonds (distance) P-C4' energy: -77.468 flat angles C4'-P-C4' energy: -84.302 flat angles P-C4'-P energy: -58.911 tors. eta vs tors. theta energy: -110.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -1108.846441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.846441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.846441 (E_RNA) where: Base-Base interactions energy: -704.313 where: short stacking energy: -337.692 Base-Backbone interact. energy: -1.225 local terms energy: -403.309187 where: bonds (distance) C4'-P energy: -78.376 bonds (distance) P-C4' energy: -81.807 flat angles C4'-P-C4' energy: -83.543 flat angles P-C4'-P energy: -59.218 tors. eta vs tors. theta energy: -100.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -949.192285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.192285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.192285 (E_RNA) where: Base-Base interactions energy: -580.352 where: short stacking energy: -265.831 Base-Backbone interact. energy: 1.340 local terms energy: -370.180283 where: bonds (distance) C4'-P energy: -84.362 bonds (distance) P-C4' energy: -82.710 flat angles C4'-P-C4' energy: -77.401 flat angles P-C4'-P energy: -56.038 tors. eta vs tors. theta energy: -69.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -958.113520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.113520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.113520 (E_RNA) where: Base-Base interactions energy: -618.084 where: short stacking energy: -273.417 Base-Backbone interact. energy: -1.495 local terms energy: -338.534767 where: bonds (distance) C4'-P energy: -85.626 bonds (distance) P-C4' energy: -73.981 flat angles C4'-P-C4' energy: -68.567 flat angles P-C4'-P energy: -40.116 tors. eta vs tors. theta energy: -70.244 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: 6, replica: 9 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -912.199757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.199757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.199757 (E_RNA) where: Base-Base interactions energy: -574.455 where: short stacking energy: -272.076 Base-Backbone interact. energy: 0.481 local terms energy: -338.225280 where: bonds (distance) C4'-P energy: -76.217 bonds (distance) P-C4' energy: -64.840 flat angles C4'-P-C4' energy: -80.189 flat angles P-C4'-P energy: -38.750 tors. eta vs tors. theta energy: -78.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -720.306089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.306089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.306089 (E_RNA) where: Base-Base interactions energy: -428.810 where: short stacking energy: -225.582 Base-Backbone interact. energy: 0.131 local terms energy: -291.627727 where: bonds (distance) C4'-P energy: -63.451 bonds (distance) P-C4' energy: -76.913 flat angles C4'-P-C4' energy: -73.593 flat angles P-C4'-P energy: -39.166 tors. eta vs tors. theta energy: -38.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -430.694489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.694489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.694489 (E_RNA) where: Base-Base interactions energy: -160.678 where: short stacking energy: -115.158 Base-Backbone interact. energy: -1.025 local terms energy: -268.991609 where: bonds (distance) C4'-P energy: -71.663 bonds (distance) P-C4' energy: -71.708 flat angles C4'-P-C4' energy: -71.767 flat angles P-C4'-P energy: -38.502 tors. eta vs tors. theta energy: -15.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -415.440134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.440134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.440134 (E_RNA) where: Base-Base interactions energy: -191.534 where: short stacking energy: -115.922 Base-Backbone interact. energy: -1.582 local terms energy: -222.323576 where: bonds (distance) C4'-P energy: -78.432 bonds (distance) P-C4' energy: -62.771 flat angles C4'-P-C4' energy: -52.544 flat angles P-C4'-P energy: -34.274 tors. eta vs tors. theta energy: 5.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -336.505470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.505470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.505470 (E_RNA) where: Base-Base interactions energy: -121.515 where: short stacking energy: -91.491 Base-Backbone interact. energy: -2.300 local terms energy: -212.690644 where: bonds (distance) C4'-P energy: -65.616 bonds (distance) P-C4' energy: -72.946 flat angles C4'-P-C4' energy: -53.749 flat angles P-C4'-P energy: -33.554 tors. eta vs tors. theta energy: 13.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -1332.483622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.483622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.483622 (E_RNA) where: Base-Base interactions energy: -905.205 where: short stacking energy: -389.344 Base-Backbone interact. energy: 0.497 local terms energy: -427.775973 where: bonds (distance) C4'-P energy: -86.569 bonds (distance) P-C4' energy: -82.946 flat angles C4'-P-C4' energy: -88.231 flat angles P-C4'-P energy: -57.400 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: 2, replica: 5 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -1193.282974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.282974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.282974 (E_RNA) where: Base-Base interactions energy: -779.450 where: short stacking energy: -369.456 Base-Backbone interact. energy: -0.884 local terms energy: -412.949682 where: bonds (distance) C4'-P energy: -80.116 bonds (distance) P-C4' energy: -83.148 flat angles C4'-P-C4' energy: -88.463 flat angles P-C4'-P energy: -53.248 tors. eta vs tors. theta energy: -107.974 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: 1 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -1178.334841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.334841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.334841 (E_RNA) where: Base-Base interactions energy: -769.043 where: short stacking energy: -365.529 Base-Backbone interact. energy: -1.515 local terms energy: -407.777184 where: bonds (distance) C4'-P energy: -78.355 bonds (distance) P-C4' energy: -82.842 flat angles C4'-P-C4' energy: -79.552 flat angles P-C4'-P energy: -60.788 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: 4, replica: 7 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -930.074171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.074171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.074171 (E_RNA) where: Base-Base interactions energy: -580.953 where: short stacking energy: -280.537 Base-Backbone interact. energy: -1.999 local terms energy: -347.121816 where: bonds (distance) C4'-P energy: -75.876 bonds (distance) P-C4' energy: -72.961 flat angles C4'-P-C4' energy: -79.325 flat angles P-C4'-P energy: -56.017 tors. eta vs tors. theta energy: -62.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -962.244971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.244971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.244971 (E_RNA) where: Base-Base interactions energy: -608.905 where: short stacking energy: -278.065 Base-Backbone interact. energy: -0.583 local terms energy: -352.756945 where: bonds (distance) C4'-P energy: -65.866 bonds (distance) P-C4' energy: -73.687 flat angles C4'-P-C4' energy: -84.579 flat angles P-C4'-P energy: -59.944 tors. eta vs tors. theta energy: -68.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -909.483070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.483070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.483070 (E_RNA) where: Base-Base interactions energy: -561.066 where: short stacking energy: -272.142 Base-Backbone interact. energy: -0.439 local terms energy: -347.978190 where: bonds (distance) C4'-P energy: -70.714 bonds (distance) P-C4' energy: -70.688 flat angles C4'-P-C4' energy: -77.867 flat angles P-C4'-P energy: -53.137 tors. eta vs tors. theta energy: -75.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -708.750981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.750981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.750981 (E_RNA) where: Base-Base interactions energy: -418.715 where: short stacking energy: -191.425 Base-Backbone interact. energy: -2.066 local terms energy: -287.970372 where: bonds (distance) C4'-P energy: -82.429 bonds (distance) P-C4' energy: -80.231 flat angles C4'-P-C4' energy: -64.488 flat angles P-C4'-P energy: -31.068 tors. eta vs tors. theta energy: -29.755 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: 10 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -393.154622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.154622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.154622 (E_RNA) where: Base-Base interactions energy: -131.044 where: short stacking energy: -125.086 Base-Backbone interact. energy: 4.652 local terms energy: -266.762575 where: bonds (distance) C4'-P energy: -67.939 bonds (distance) P-C4' energy: -79.576 flat angles C4'-P-C4' energy: -67.330 flat angles P-C4'-P energy: -50.344 tors. eta vs tors. theta energy: -1.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -429.713507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.713507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.713507 (E_RNA) where: Base-Base interactions energy: -203.080 where: short stacking energy: -105.566 Base-Backbone interact. energy: -1.376 local terms energy: -225.257130 where: bonds (distance) C4'-P energy: -66.613 bonds (distance) P-C4' energy: -77.609 flat angles C4'-P-C4' energy: -46.988 flat angles P-C4'-P energy: -30.319 tors. eta vs tors. theta energy: -3.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -315.249941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.249941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.249941 (E_RNA) where: Base-Base interactions energy: -125.752 where: short stacking energy: -111.731 Base-Backbone interact. energy: 2.908 local terms energy: -192.406241 where: bonds (distance) C4'-P energy: -65.794 bonds (distance) P-C4' energy: -63.450 flat angles C4'-P-C4' energy: -50.560 flat angles P-C4'-P energy: -18.415 tors. eta vs tors. theta energy: 5.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -1328.571299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.571299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.571299 (E_RNA) where: Base-Base interactions energy: -904.382 where: short stacking energy: -385.186 Base-Backbone interact. energy: -2.493 local terms energy: -421.696618 where: bonds (distance) C4'-P energy: -75.726 bonds (distance) P-C4' energy: -79.301 flat angles C4'-P-C4' energy: -94.999 flat angles P-C4'-P energy: -58.119 tors. eta vs tors. theta energy: -113.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -1219.924372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.924372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.924372 (E_RNA) where: Base-Base interactions energy: -779.938 where: short stacking energy: -364.833 Base-Backbone interact. energy: -0.692 local terms energy: -439.294454 where: bonds (distance) C4'-P energy: -82.845 bonds (distance) P-C4' energy: -84.488 flat angles C4'-P-C4' energy: -90.061 flat angles P-C4'-P energy: -67.585 tors. eta vs tors. theta energy: -114.316 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: 3, replica: 1 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -1144.113579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.113579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.113579 (E_RNA) where: Base-Base interactions energy: -750.542 where: short stacking energy: -328.749 Base-Backbone interact. energy: -1.686 local terms energy: -391.885724 where: bonds (distance) C4'-P energy: -79.973 bonds (distance) P-C4' energy: -75.278 flat angles C4'-P-C4' energy: -83.842 flat angles P-C4'-P energy: -61.239 tors. eta vs tors. theta energy: -91.553 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: 7 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -925.745494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.745494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.745494 (E_RNA) where: Base-Base interactions energy: -580.468 where: short stacking energy: -266.551 Base-Backbone interact. energy: 0.293 local terms energy: -345.570773 where: bonds (distance) C4'-P energy: -75.011 bonds (distance) P-C4' energy: -76.814 flat angles C4'-P-C4' energy: -82.723 flat angles P-C4'-P energy: -45.206 tors. eta vs tors. theta energy: -65.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -1012.182712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.182712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.182712 (E_RNA) where: Base-Base interactions energy: -642.861 where: short stacking energy: -297.228 Base-Backbone interact. energy: -0.053 local terms energy: -369.268296 where: bonds (distance) C4'-P energy: -70.883 bonds (distance) P-C4' energy: -84.037 flat angles C4'-P-C4' energy: -83.804 flat angles P-C4'-P energy: -53.642 tors. eta vs tors. theta energy: -76.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -878.932009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.932009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.932009 (E_RNA) where: Base-Base interactions energy: -562.104 where: short stacking energy: -258.111 Base-Backbone interact. energy: -1.550 local terms energy: -315.277967 where: bonds (distance) C4'-P energy: -69.490 bonds (distance) P-C4' energy: -79.689 flat angles C4'-P-C4' energy: -61.900 flat angles P-C4'-P energy: -41.924 tors. eta vs tors. theta energy: -62.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -762.678827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.678827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.678827 (E_RNA) where: Base-Base interactions energy: -449.935 where: short stacking energy: -200.315 Base-Backbone interact. energy: 3.195 local terms energy: -315.939001 where: bonds (distance) C4'-P energy: -66.777 bonds (distance) P-C4' energy: -82.147 flat angles C4'-P-C4' energy: -61.978 flat angles P-C4'-P energy: -59.116 tors. eta vs tors. theta energy: -45.921 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: 46 Temperature: 1.250000 Total energy: -386.287770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.287770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.287770 (E_RNA) where: Base-Base interactions energy: -139.680 where: short stacking energy: -130.103 Base-Backbone interact. energy: 0.398 local terms energy: -247.006217 where: bonds (distance) C4'-P energy: -57.785 bonds (distance) P-C4' energy: -68.500 flat angles C4'-P-C4' energy: -73.475 flat angles P-C4'-P energy: -43.255 tors. eta vs tors. theta energy: -3.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -410.418787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.418787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.418787 (E_RNA) where: Base-Base interactions energy: -197.743 where: short stacking energy: -130.659 Base-Backbone interact. energy: -0.591 local terms energy: -212.085194 where: bonds (distance) C4'-P energy: -60.997 bonds (distance) P-C4' energy: -62.716 flat angles C4'-P-C4' energy: -57.208 flat angles P-C4'-P energy: -25.906 tors. eta vs tors. theta energy: -5.259 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: 2 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -331.361260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.361260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.361260 (E_RNA) where: Base-Base interactions energy: -126.187 where: short stacking energy: -103.868 Base-Backbone interact. energy: -0.142 local terms energy: -205.032222 where: bonds (distance) C4'-P energy: -54.613 bonds (distance) P-C4' energy: -69.899 flat angles C4'-P-C4' energy: -54.943 flat angles P-C4'-P energy: -41.750 tors. eta vs tors. theta energy: 16.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -1361.455930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.455930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.455930 (E_RNA) where: Base-Base interactions energy: -919.944 where: short stacking energy: -389.116 Base-Backbone interact. energy: -0.693 local terms energy: -440.818254 where: bonds (distance) C4'-P energy: -83.213 bonds (distance) P-C4' energy: -85.911 flat angles C4'-P-C4' energy: -89.311 flat angles P-C4'-P energy: -65.886 tors. eta vs tors. theta energy: -116.497 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: 2, replica: 5 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -1230.156264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.156264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.156264 (E_RNA) where: Base-Base interactions energy: -831.376 where: short stacking energy: -386.245 Base-Backbone interact. energy: 1.150 local terms energy: -399.929756 where: bonds (distance) C4'-P energy: -77.427 bonds (distance) P-C4' energy: -75.743 flat angles C4'-P-C4' energy: -84.481 flat angles P-C4'-P energy: -60.163 tors. eta vs tors. theta energy: -102.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -1130.395728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.395728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.395728 (E_RNA) where: Base-Base interactions energy: -743.925 where: short stacking energy: -340.159 Base-Backbone interact. energy: -1.313 local terms energy: -385.157695 where: bonds (distance) C4'-P energy: -73.636 bonds (distance) P-C4' energy: -72.490 flat angles C4'-P-C4' energy: -87.547 flat angles P-C4'-P energy: -54.870 tors. eta vs tors. theta energy: -96.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -961.779522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.779522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.779522 (E_RNA) where: Base-Base interactions energy: -594.381 where: short stacking energy: -276.252 Base-Backbone interact. energy: -1.412 local terms energy: -365.986572 where: bonds (distance) C4'-P energy: -71.934 bonds (distance) P-C4' energy: -81.232 flat angles C4'-P-C4' energy: -85.419 flat angles P-C4'-P energy: -57.074 tors. eta vs tors. theta energy: -70.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -975.252002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.252002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.252002 (E_RNA) where: Base-Base interactions energy: -638.211 where: short stacking energy: -298.729 Base-Backbone interact. energy: -0.608 local terms energy: -336.432100 where: bonds (distance) C4'-P energy: -74.461 bonds (distance) P-C4' energy: -73.803 flat angles C4'-P-C4' energy: -64.583 flat angles P-C4'-P energy: -45.269 tors. eta vs tors. theta energy: -78.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -876.117683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.117683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.117683 (E_RNA) where: Base-Base interactions energy: -560.231 where: short stacking energy: -278.285 Base-Backbone interact. energy: -2.044 local terms energy: -313.842681 where: bonds (distance) C4'-P energy: -51.770 bonds (distance) P-C4' energy: -71.194 flat angles C4'-P-C4' energy: -76.532 flat angles P-C4'-P energy: -55.853 tors. eta vs tors. theta energy: -58.494 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: 6 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -801.658929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.658929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.658929 (E_RNA) where: Base-Base interactions energy: -484.047 where: short stacking energy: -216.416 Base-Backbone interact. energy: -1.966 local terms energy: -315.646238 where: bonds (distance) C4'-P energy: -74.476 bonds (distance) P-C4' energy: -77.755 flat angles C4'-P-C4' energy: -73.842 flat angles P-C4'-P energy: -37.973 tors. eta vs tors. theta energy: -51.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -430.547812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.547812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.547812 (E_RNA) where: Base-Base interactions energy: -180.237 where: short stacking energy: -118.024 Base-Backbone interact. energy: 0.394 local terms energy: -250.705506 where: bonds (distance) C4'-P energy: -75.626 bonds (distance) P-C4' energy: -74.035 flat angles C4'-P-C4' energy: -57.408 flat angles P-C4'-P energy: -37.037 tors. eta vs tors. theta energy: -6.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -335.627596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.627596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.627596 (E_RNA) where: Base-Base interactions energy: -112.315 where: short stacking energy: -100.400 Base-Backbone interact. energy: 2.621 local terms energy: -225.933620 where: bonds (distance) C4'-P energy: -66.003 bonds (distance) P-C4' energy: -71.721 flat angles C4'-P-C4' energy: -67.978 flat angles P-C4'-P energy: -40.480 tors. eta vs tors. theta energy: 20.249 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: 2 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -362.102199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.102199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.102199 (E_RNA) where: Base-Base interactions energy: -141.014 where: short stacking energy: -104.378 Base-Backbone interact. energy: 2.194 local terms energy: -223.282635 where: bonds (distance) C4'-P energy: -71.855 bonds (distance) P-C4' energy: -70.836 flat angles C4'-P-C4' energy: -60.764 flat angles P-C4'-P energy: -31.077 tors. eta vs tors. theta energy: 11.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -1337.068886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.068886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.068886 (E_RNA) where: Base-Base interactions energy: -901.468 where: short stacking energy: -397.697 Base-Backbone interact. energy: 1.294 local terms energy: -436.894828 where: bonds (distance) C4'-P energy: -80.275 bonds (distance) P-C4' energy: -86.233 flat angles C4'-P-C4' energy: -87.082 flat angles P-C4'-P energy: -66.051 tors. eta vs tors. theta energy: -117.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -1180.022034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.022034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.022034 (E_RNA) where: Base-Base interactions energy: -774.104 where: short stacking energy: -358.437 Base-Backbone interact. energy: 7.319 local terms energy: -413.237117 where: bonds (distance) C4'-P energy: -73.528 bonds (distance) P-C4' energy: -82.946 flat angles C4'-P-C4' energy: -89.157 flat angles P-C4'-P energy: -67.255 tors. eta vs tors. theta energy: -100.352 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: 1 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -1128.692184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.692184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.692184 (E_RNA) where: Base-Base interactions energy: -748.998 where: short stacking energy: -320.727 Base-Backbone interact. energy: -1.491 local terms energy: -378.203284 where: bonds (distance) C4'-P energy: -70.826 bonds (distance) P-C4' energy: -75.045 flat angles C4'-P-C4' energy: -86.767 flat angles P-C4'-P energy: -58.552 tors. eta vs tors. theta energy: -87.013 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: 4, replica: 7 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -1026.090018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.090018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.090018 (E_RNA) where: Base-Base interactions energy: -662.520 where: short stacking energy: -305.779 Base-Backbone interact. energy: -1.725 local terms energy: -361.844205 where: bonds (distance) C4'-P energy: -73.902 bonds (distance) P-C4' energy: -63.922 flat angles C4'-P-C4' energy: -85.325 flat angles P-C4'-P energy: -53.715 tors. eta vs tors. theta energy: -84.980 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: 8 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -1028.110621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.110621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.110621 (E_RNA) where: Base-Base interactions energy: -684.721 where: short stacking energy: -300.871 Base-Backbone interact. energy: -2.984 local terms energy: -340.405546 where: bonds (distance) C4'-P energy: -61.744 bonds (distance) P-C4' energy: -72.198 flat angles C4'-P-C4' energy: -78.058 flat angles P-C4'-P energy: -47.666 tors. eta vs tors. theta energy: -80.739 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: 9 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -968.056090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.056090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.056090 (E_RNA) where: Base-Base interactions energy: -616.872 where: short stacking energy: -298.555 Base-Backbone interact. energy: 0.347 local terms energy: -351.530874 where: bonds (distance) C4'-P energy: -74.705 bonds (distance) P-C4' energy: -70.991 flat angles C4'-P-C4' energy: -74.617 flat angles P-C4'-P energy: -43.507 tors. eta vs tors. theta energy: -87.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -752.166370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.166370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.166370 (E_RNA) where: Base-Base interactions energy: -459.727 where: short stacking energy: -216.059 Base-Backbone interact. energy: -0.116 local terms energy: -292.323501 where: bonds (distance) C4'-P energy: -62.176 bonds (distance) P-C4' energy: -61.291 flat angles C4'-P-C4' energy: -74.469 flat angles P-C4'-P energy: -50.104 tors. eta vs tors. theta energy: -44.283 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: 4 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -435.385947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.385947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.385947 (E_RNA) where: Base-Base interactions energy: -190.682 where: short stacking energy: -126.048 Base-Backbone interact. energy: 0.343 local terms energy: -245.047661 where: bonds (distance) C4'-P energy: -63.899 bonds (distance) P-C4' energy: -72.972 flat angles C4'-P-C4' energy: -64.169 flat angles P-C4'-P energy: -41.166 tors. eta vs tors. theta energy: -2.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -351.665064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.665064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.665064 (E_RNA) where: Base-Base interactions energy: -115.909 where: short stacking energy: -107.051 Base-Backbone interact. energy: -1.067 local terms energy: -234.689419 where: bonds (distance) C4'-P energy: -77.913 bonds (distance) P-C4' energy: -53.995 flat angles C4'-P-C4' energy: -65.369 flat angles P-C4'-P energy: -28.225 tors. eta vs tors. theta energy: -9.187 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: 10, replica: 10 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -324.126460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.126460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.126460 (E_RNA) where: Base-Base interactions energy: -119.371 where: short stacking energy: -86.706 Base-Backbone interact. energy: 1.077 local terms energy: -205.832703 where: bonds (distance) C4'-P energy: -57.091 bonds (distance) P-C4' energy: -54.962 flat angles C4'-P-C4' energy: -53.515 flat angles P-C4'-P energy: -47.068 tors. eta vs tors. theta energy: 6.803 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: 3 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -1328.933492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.933492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.933492 (E_RNA) where: Base-Base interactions energy: -910.769 where: short stacking energy: -378.716 Base-Backbone interact. energy: 2.311 local terms energy: -420.475042 where: bonds (distance) C4'-P energy: -79.170 bonds (distance) P-C4' energy: -84.629 flat angles C4'-P-C4' energy: -87.897 flat angles P-C4'-P energy: -53.036 tors. eta vs tors. theta energy: -115.743 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: 5 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -1202.241628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.241628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.241628 (E_RNA) where: Base-Base interactions energy: -788.058 where: short stacking energy: -350.319 Base-Backbone interact. energy: -0.841 local terms energy: -413.342201 where: bonds (distance) C4'-P energy: -82.572 bonds (distance) P-C4' energy: -86.158 flat angles C4'-P-C4' energy: -79.652 flat angles P-C4'-P energy: -59.452 tors. eta vs tors. theta energy: -105.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -1154.837665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.837665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.837665 (E_RNA) where: Base-Base interactions energy: -802.289 where: short stacking energy: -353.912 Base-Backbone interact. energy: 0.119 local terms energy: -352.668042 where: bonds (distance) C4'-P energy: -66.397 bonds (distance) P-C4' energy: -75.072 flat angles C4'-P-C4' energy: -70.131 flat angles P-C4'-P energy: -48.117 tors. eta vs tors. theta energy: -92.951 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: 4, replica: 7 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -1069.894114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.894114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.894114 (E_RNA) where: Base-Base interactions energy: -682.834 where: short stacking energy: -309.115 Base-Backbone interact. energy: -1.030 local terms energy: -386.030958 where: bonds (distance) C4'-P energy: -66.061 bonds (distance) P-C4' energy: -72.124 flat angles C4'-P-C4' energy: -88.993 flat angles P-C4'-P energy: -58.465 tors. eta vs tors. theta energy: -100.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -1004.925440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.925440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.925440 (E_RNA) where: Base-Base interactions energy: -665.337 where: short stacking energy: -303.852 Base-Backbone interact. energy: 0.106 local terms energy: -339.693826 where: bonds (distance) C4'-P energy: -59.591 bonds (distance) P-C4' energy: -78.538 flat angles C4'-P-C4' energy: -71.922 flat angles P-C4'-P energy: -49.455 tors. eta vs tors. theta energy: -80.188 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: 49 Temperature: 1.150000 Total energy: -932.831202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.831202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.831202 (E_RNA) where: Base-Base interactions energy: -586.063 where: short stacking energy: -275.709 Base-Backbone interact. energy: 0.748 local terms energy: -347.516430 where: bonds (distance) C4'-P energy: -73.209 bonds (distance) P-C4' energy: -81.598 flat angles C4'-P-C4' energy: -77.317 flat angles P-C4'-P energy: -55.520 tors. eta vs tors. theta energy: -59.872 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: 7, replica: 6 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -699.112375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.112375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.112375 (E_RNA) where: Base-Base interactions energy: -420.696 where: short stacking energy: -211.944 Base-Backbone interact. energy: -1.225 local terms energy: -277.191546 where: bonds (distance) C4'-P energy: -57.791 bonds (distance) P-C4' energy: -54.132 flat angles C4'-P-C4' energy: -78.108 flat angles P-C4'-P energy: -51.612 tors. eta vs tors. theta energy: -35.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -446.493646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.493646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.493646 (E_RNA) where: Base-Base interactions energy: -181.873 where: short stacking energy: -136.375 Base-Backbone interact. energy: -0.509 local terms energy: -264.112055 where: bonds (distance) C4'-P energy: -65.352 bonds (distance) P-C4' energy: -85.653 flat angles C4'-P-C4' energy: -72.223 flat angles P-C4'-P energy: -26.963 tors. eta vs tors. theta energy: -13.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -383.589673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.589673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.589673 (E_RNA) where: Base-Base interactions energy: -136.906 where: short stacking energy: -107.619 Base-Backbone interact. energy: 2.084 local terms energy: -248.767509 where: bonds (distance) C4'-P energy: -50.651 bonds (distance) P-C4' energy: -73.733 flat angles C4'-P-C4' energy: -62.330 flat angles P-C4'-P energy: -63.916 tors. eta vs tors. theta energy: 1.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -312.000503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.000503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.000503 (E_RNA) where: Base-Base interactions energy: -102.661 where: short stacking energy: -93.859 Base-Backbone interact. energy: -0.922 local terms energy: -208.417727 where: bonds (distance) C4'-P energy: -74.611 bonds (distance) P-C4' energy: -59.764 flat angles C4'-P-C4' energy: -46.329 flat angles P-C4'-P energy: -28.151 tors. eta vs tors. theta energy: 0.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -1344.799377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.799377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.799377 (E_RNA) where: Base-Base interactions energy: -917.457 where: short stacking energy: -403.383 Base-Backbone interact. energy: -2.496 local terms energy: -424.846168 where: bonds (distance) C4'-P energy: -76.601 bonds (distance) P-C4' energy: -80.097 flat angles C4'-P-C4' energy: -95.084 flat angles P-C4'-P energy: -55.078 tors. eta vs tors. theta energy: -117.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -1276.873821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.873821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.873821 (E_RNA) where: Base-Base interactions energy: -857.228 where: short stacking energy: -419.865 Base-Backbone interact. energy: -1.274 local terms energy: -418.371721 where: bonds (distance) C4'-P energy: -75.292 bonds (distance) P-C4' energy: -81.250 flat angles C4'-P-C4' energy: -89.447 flat angles P-C4'-P energy: -53.439 tors. eta vs tors. theta energy: -118.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -1155.926831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.926831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.926831 (E_RNA) where: Base-Base interactions energy: -784.188 where: short stacking energy: -333.308 Base-Backbone interact. energy: 5.391 local terms energy: -377.129565 where: bonds (distance) C4'-P energy: -63.842 bonds (distance) P-C4' energy: -88.150 flat angles C4'-P-C4' energy: -85.638 flat angles P-C4'-P energy: -53.895 tors. eta vs tors. theta energy: -85.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -1078.007194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.007194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.007194 (E_RNA) where: Base-Base interactions energy: -695.384 where: short stacking energy: -308.845 Base-Backbone interact. energy: -3.097 local terms energy: -379.526448 where: bonds (distance) C4'-P energy: -73.570 bonds (distance) P-C4' energy: -69.605 flat angles C4'-P-C4' energy: -80.877 flat angles P-C4'-P energy: -67.755 tors. eta vs tors. theta energy: -87.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -1016.671921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.671921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.671921 (E_RNA) where: Base-Base interactions energy: -667.198 where: short stacking energy: -302.181 Base-Backbone interact. energy: -1.369 local terms energy: -348.105189 where: bonds (distance) C4'-P energy: -73.860 bonds (distance) P-C4' energy: -76.283 flat angles C4'-P-C4' energy: -72.709 flat angles P-C4'-P energy: -48.423 tors. eta vs tors. theta energy: -76.830 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: 9 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -956.726507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.726507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.726507 (E_RNA) where: Base-Base interactions energy: -610.993 where: short stacking energy: -290.536 Base-Backbone interact. energy: 2.047 local terms energy: -347.780746 where: bonds (distance) C4'-P energy: -69.677 bonds (distance) P-C4' energy: -67.969 flat angles C4'-P-C4' energy: -78.377 flat angles P-C4'-P energy: -50.968 tors. eta vs tors. theta energy: -80.789 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: 6 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -702.136342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.136342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.136342 (E_RNA) where: Base-Base interactions energy: -430.461 where: short stacking energy: -216.812 Base-Backbone interact. energy: 2.284 local terms energy: -273.959223 where: bonds (distance) C4'-P energy: -63.439 bonds (distance) P-C4' energy: -57.778 flat angles C4'-P-C4' energy: -74.310 flat angles P-C4'-P energy: -39.435 tors. eta vs tors. theta energy: -38.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -434.408548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.408548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.408548 (E_RNA) where: Base-Base interactions energy: -202.052 where: short stacking energy: -117.284 Base-Backbone interact. energy: 2.847 local terms energy: -235.203361 where: bonds (distance) C4'-P energy: -64.047 bonds (distance) P-C4' energy: -74.238 flat angles C4'-P-C4' energy: -63.005 flat angles P-C4'-P energy: -42.292 tors. eta vs tors. theta energy: 8.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -397.245820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.245820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.245820 (E_RNA) where: Base-Base interactions energy: -166.177 where: short stacking energy: -99.794 Base-Backbone interact. energy: 0.193 local terms energy: -231.260963 where: bonds (distance) C4'-P energy: -61.306 bonds (distance) P-C4' energy: -84.778 flat angles C4'-P-C4' energy: -52.418 flat angles P-C4'-P energy: -41.332 tors. eta vs tors. theta energy: 8.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -337.030553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.030553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.030553 (E_RNA) where: Base-Base interactions energy: -125.546 where: short stacking energy: -104.880 Base-Backbone interact. energy: -1.108 local terms energy: -210.376434 where: bonds (distance) C4'-P energy: -63.516 bonds (distance) P-C4' energy: -59.688 flat angles C4'-P-C4' energy: -60.582 flat angles P-C4'-P energy: -41.534 tors. eta vs tors. theta energy: 14.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -1334.505584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.505584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.505584 (E_RNA) where: Base-Base interactions energy: -887.494 where: short stacking energy: -394.943 Base-Backbone interact. energy: -2.230 local terms energy: -444.781241 where: bonds (distance) C4'-P energy: -81.873 bonds (distance) P-C4' energy: -91.609 flat angles C4'-P-C4' energy: -92.461 flat angles P-C4'-P energy: -58.782 tors. eta vs tors. theta energy: -120.057 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: 5 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -1271.983764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.983764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.983764 (E_RNA) where: Base-Base interactions energy: -856.909 where: short stacking energy: -401.717 Base-Backbone interact. energy: -0.298 local terms energy: -414.777099 where: bonds (distance) C4'-P energy: -76.356 bonds (distance) P-C4' energy: -76.961 flat angles C4'-P-C4' energy: -85.351 flat angles P-C4'-P energy: -52.464 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: 1 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -1154.063454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.063454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.063454 (E_RNA) where: Base-Base interactions energy: -752.663 where: short stacking energy: -329.022 Base-Backbone interact. energy: -0.918 local terms energy: -400.483013 where: bonds (distance) C4'-P energy: -76.702 bonds (distance) P-C4' energy: -93.073 flat angles C4'-P-C4' energy: -87.146 flat angles P-C4'-P energy: -49.117 tors. eta vs tors. theta energy: -94.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -1045.295403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.295403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.295403 (E_RNA) where: Base-Base interactions energy: -654.051 where: short stacking energy: -312.471 Base-Backbone interact. energy: -1.065 local terms energy: -390.179764 where: bonds (distance) C4'-P energy: -74.698 bonds (distance) P-C4' energy: -80.410 flat angles C4'-P-C4' energy: -89.046 flat angles P-C4'-P energy: -59.452 tors. eta vs tors. theta energy: -86.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -1023.504142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.504142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.504142 (E_RNA) where: Base-Base interactions energy: -651.325 where: short stacking energy: -299.656 Base-Backbone interact. energy: 1.085 local terms energy: -373.263553 where: bonds (distance) C4'-P energy: -83.560 bonds (distance) P-C4' energy: -81.152 flat angles C4'-P-C4' energy: -85.318 flat angles P-C4'-P energy: -47.303 tors. eta vs tors. theta energy: -75.930 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: 9 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -998.352127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.352127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.352127 (E_RNA) where: Base-Base interactions energy: -647.834 where: short stacking energy: -281.517 Base-Backbone interact. energy: -2.294 local terms energy: -348.224608 where: bonds (distance) C4'-P energy: -56.569 bonds (distance) P-C4' energy: -76.152 flat angles C4'-P-C4' energy: -76.337 flat angles P-C4'-P energy: -57.383 tors. eta vs tors. theta energy: -81.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -780.178470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.178470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.178470 (E_RNA) where: Base-Base interactions energy: -451.900 where: short stacking energy: -224.111 Base-Backbone interact. energy: -0.205 local terms energy: -328.073633 where: bonds (distance) C4'-P energy: -83.270 bonds (distance) P-C4' energy: -79.287 flat angles C4'-P-C4' energy: -68.734 flat angles P-C4'-P energy: -37.195 tors. eta vs tors. theta energy: -59.588 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: 4 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -397.655645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.655645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.655645 (E_RNA) where: Base-Base interactions energy: -149.877 where: short stacking energy: -95.903 Base-Backbone interact. energy: -2.225 local terms energy: -245.553131 where: bonds (distance) C4'-P energy: -63.817 bonds (distance) P-C4' energy: -80.027 flat angles C4'-P-C4' energy: -65.142 flat angles P-C4'-P energy: -47.043 tors. eta vs tors. theta energy: 10.475 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: 2 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -379.230124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.230124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.230124 (E_RNA) where: Base-Base interactions energy: -165.873 where: short stacking energy: -104.058 Base-Backbone interact. energy: 2.127 local terms energy: -215.483998 where: bonds (distance) C4'-P energy: -58.513 bonds (distance) P-C4' energy: -63.295 flat angles C4'-P-C4' energy: -71.295 flat angles P-C4'-P energy: -25.137 tors. eta vs tors. theta energy: 2.756 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: 10, replica: 10 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -317.695223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.695223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.695223 (E_RNA) where: Base-Base interactions energy: -83.332 where: short stacking energy: -79.482 Base-Backbone interact. energy: -0.219 local terms energy: -234.144194 where: bonds (distance) C4'-P energy: -61.683 bonds (distance) P-C4' energy: -69.464 flat angles C4'-P-C4' energy: -65.886 flat angles P-C4'-P energy: -37.167 tors. eta vs tors. theta energy: 0.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -1274.702588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.702588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.702588 (E_RNA) where: Base-Base interactions energy: -839.779 where: short stacking energy: -404.887 Base-Backbone interact. energy: -1.534 local terms energy: -433.389366 where: bonds (distance) C4'-P energy: -78.422 bonds (distance) P-C4' energy: -86.537 flat angles C4'-P-C4' energy: -93.671 flat angles P-C4'-P energy: -56.355 tors. eta vs tors. theta energy: -118.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -1269.022685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.022685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.022685 (E_RNA) where: Base-Base interactions energy: -848.316 where: short stacking energy: -376.835 Base-Backbone interact. energy: -0.476 local terms energy: -420.231603 where: bonds (distance) C4'-P energy: -83.521 bonds (distance) P-C4' energy: -70.732 flat angles C4'-P-C4' energy: -93.268 flat angles P-C4'-P energy: -69.987 tors. eta vs tors. theta energy: -102.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -1159.361200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.361200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.361200 (E_RNA) where: Base-Base interactions energy: -768.254 where: short stacking energy: -329.290 Base-Backbone interact. energy: -2.487 local terms energy: -388.619926 where: bonds (distance) C4'-P energy: -80.845 bonds (distance) P-C4' energy: -76.203 flat angles C4'-P-C4' energy: -83.544 flat angles P-C4'-P energy: -44.189 tors. eta vs tors. theta energy: -103.840 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: 7 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -1044.006090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.006090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.006090 (E_RNA) where: Base-Base interactions energy: -669.965 where: short stacking energy: -332.873 Base-Backbone interact. energy: 2.650 local terms energy: -376.691707 where: bonds (distance) C4'-P energy: -85.413 bonds (distance) P-C4' energy: -69.340 flat angles C4'-P-C4' energy: -80.763 flat angles P-C4'-P energy: -57.832 tors. eta vs tors. theta energy: -83.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -1006.451090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.451090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.451090 (E_RNA) where: Base-Base interactions energy: -639.807 where: short stacking energy: -295.724 Base-Backbone interact. energy: -2.023 local terms energy: -364.621349 where: bonds (distance) C4'-P energy: -74.712 bonds (distance) P-C4' energy: -70.159 flat angles C4'-P-C4' energy: -81.460 flat angles P-C4'-P energy: -59.750 tors. eta vs tors. theta energy: -78.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -992.865654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.865654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.865654 (E_RNA) where: Base-Base interactions energy: -649.370 where: short stacking energy: -294.796 Base-Backbone interact. energy: 1.628 local terms energy: -345.124072 where: bonds (distance) C4'-P energy: -77.260 bonds (distance) P-C4' energy: -66.091 flat angles C4'-P-C4' energy: -75.568 flat angles P-C4'-P energy: -50.178 tors. eta vs tors. theta energy: -76.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -814.377043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.377043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.377043 (E_RNA) where: Base-Base interactions energy: -469.010 where: short stacking energy: -234.446 Base-Backbone interact. energy: 0.316 local terms energy: -345.682450 where: bonds (distance) C4'-P energy: -77.756 bonds (distance) P-C4' energy: -88.434 flat angles C4'-P-C4' energy: -77.254 flat angles P-C4'-P energy: -51.196 tors. eta vs tors. theta energy: -51.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -390.175795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.175795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.175795 (E_RNA) where: Base-Base interactions energy: -151.590 where: short stacking energy: -120.527 Base-Backbone interact. energy: -0.849 local terms energy: -237.737213 where: bonds (distance) C4'-P energy: -66.034 bonds (distance) P-C4' energy: -72.882 flat angles C4'-P-C4' energy: -59.773 flat angles P-C4'-P energy: -46.532 tors. eta vs tors. theta energy: 7.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -374.949858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.949858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.949858 (E_RNA) where: Base-Base interactions energy: -135.196 where: short stacking energy: -113.050 Base-Backbone interact. energy: -0.467 local terms energy: -239.287025 where: bonds (distance) C4'-P energy: -68.942 bonds (distance) P-C4' energy: -66.035 flat angles C4'-P-C4' energy: -54.013 flat angles P-C4'-P energy: -42.041 tors. eta vs tors. theta energy: -8.256 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: 2 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -367.336965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.336965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.336965 (E_RNA) where: Base-Base interactions energy: -142.556 where: short stacking energy: -107.139 Base-Backbone interact. energy: -1.814 local terms energy: -222.966928 where: bonds (distance) C4'-P energy: -70.469 bonds (distance) P-C4' energy: -75.587 flat angles C4'-P-C4' energy: -50.558 flat angles P-C4'-P energy: -45.921 tors. eta vs tors. theta energy: 19.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -1264.822220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.822220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.822220 (E_RNA) where: Base-Base interactions energy: -840.312 where: short stacking energy: -375.302 Base-Backbone interact. energy: -0.809 local terms energy: -423.701436 where: bonds (distance) C4'-P energy: -88.595 bonds (distance) P-C4' energy: -81.215 flat angles C4'-P-C4' energy: -87.424 flat angles P-C4'-P energy: -57.963 tors. eta vs tors. theta energy: -108.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -1297.753971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.753971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.753971 (E_RNA) where: Base-Base interactions energy: -877.152 where: short stacking energy: -371.382 Base-Backbone interact. energy: -3.554 local terms energy: -417.047942 where: bonds (distance) C4'-P energy: -68.482 bonds (distance) P-C4' energy: -89.218 flat angles C4'-P-C4' energy: -87.846 flat angles P-C4'-P energy: -63.553 tors. eta vs tors. theta energy: -107.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -1162.573436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.573436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.573436 (E_RNA) where: Base-Base interactions energy: -765.098 where: short stacking energy: -349.747 Base-Backbone interact. energy: -1.087 local terms energy: -396.388762 where: bonds (distance) C4'-P energy: -79.154 bonds (distance) P-C4' energy: -83.650 flat angles C4'-P-C4' energy: -80.660 flat angles P-C4'-P energy: -51.319 tors. eta vs tors. theta energy: -101.606 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: 8 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -1071.193209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.193209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.193209 (E_RNA) where: Base-Base interactions energy: -690.523 where: short stacking energy: -326.856 Base-Backbone interact. energy: -0.474 local terms energy: -380.196031 where: bonds (distance) C4'-P energy: -73.313 bonds (distance) P-C4' energy: -76.033 flat angles C4'-P-C4' energy: -88.297 flat angles P-C4'-P energy: -55.138 tors. eta vs tors. theta energy: -87.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -986.829590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.829590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.829590 (E_RNA) where: Base-Base interactions energy: -627.559 where: short stacking energy: -261.953 Base-Backbone interact. energy: 0.410 local terms energy: -359.680191 where: bonds (distance) C4'-P energy: -73.952 bonds (distance) P-C4' energy: -70.156 flat angles C4'-P-C4' energy: -86.689 flat angles P-C4'-P energy: -58.342 tors. eta vs tors. theta energy: -70.542 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: 9 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -1053.593108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.593108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.593108 (E_RNA) where: Base-Base interactions energy: -688.029 where: short stacking energy: -297.704 Base-Backbone interact. energy: 0.091 local terms energy: -365.655248 where: bonds (distance) C4'-P energy: -71.860 bonds (distance) P-C4' energy: -73.622 flat angles C4'-P-C4' energy: -77.886 flat angles P-C4'-P energy: -56.651 tors. eta vs tors. theta energy: -85.636 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: 6 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -827.973457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.973457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.973457 (E_RNA) where: Base-Base interactions energy: -516.748 where: short stacking energy: -243.992 Base-Backbone interact. energy: -2.565 local terms energy: -308.659922 where: bonds (distance) C4'-P energy: -68.877 bonds (distance) P-C4' energy: -72.133 flat angles C4'-P-C4' energy: -77.548 flat angles P-C4'-P energy: -34.862 tors. eta vs tors. theta energy: -55.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -418.138277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.138277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.138277 (E_RNA) where: Base-Base interactions energy: -175.046 where: short stacking energy: -128.488 Base-Backbone interact. energy: -0.827 local terms energy: -242.266058 where: bonds (distance) C4'-P energy: -70.577 bonds (distance) P-C4' energy: -70.472 flat angles C4'-P-C4' energy: -63.717 flat angles P-C4'-P energy: -34.533 tors. eta vs tors. theta energy: -2.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -362.935778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.935778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.935778 (E_RNA) where: Base-Base interactions energy: -130.549 where: short stacking energy: -113.488 Base-Backbone interact. energy: -1.279 local terms energy: -231.107044 where: bonds (distance) C4'-P energy: -74.088 bonds (distance) P-C4' energy: -69.989 flat angles C4'-P-C4' energy: -61.854 flat angles P-C4'-P energy: -28.797 tors. eta vs tors. theta energy: 3.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -326.064139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.064139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.064139 (E_RNA) where: Base-Base interactions energy: -104.776 where: short stacking energy: -89.721 Base-Backbone interact. energy: -0.338 local terms energy: -220.949894 where: bonds (distance) C4'-P energy: -67.443 bonds (distance) P-C4' energy: -70.537 flat angles C4'-P-C4' energy: -55.357 flat angles P-C4'-P energy: -33.150 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: 1, replica: 3 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -1358.989096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.989096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.989096 (E_RNA) where: Base-Base interactions energy: -936.900 where: short stacking energy: -402.887 Base-Backbone interact. energy: -2.829 local terms energy: -419.259905 where: bonds (distance) C4'-P energy: -79.174 bonds (distance) P-C4' energy: -78.345 flat angles C4'-P-C4' energy: -85.661 flat angles P-C4'-P energy: -66.747 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: 2, replica: 5 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -1242.183271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.183271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.183271 (E_RNA) where: Base-Base interactions energy: -827.088 where: short stacking energy: -378.781 Base-Backbone interact. energy: -2.167 local terms energy: -412.928203 where: bonds (distance) C4'-P energy: -81.453 bonds (distance) P-C4' energy: -79.081 flat angles C4'-P-C4' energy: -93.458 flat angles P-C4'-P energy: -54.167 tors. eta vs tors. theta energy: -104.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -1160.640237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.640237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.640237 (E_RNA) where: Base-Base interactions energy: -774.398 where: short stacking energy: -350.611 Base-Backbone interact. energy: -1.129 local terms energy: -385.113927 where: bonds (distance) C4'-P energy: -78.280 bonds (distance) P-C4' energy: -77.564 flat angles C4'-P-C4' energy: -86.101 flat angles P-C4'-P energy: -49.156 tors. eta vs tors. theta energy: -94.013 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: 4, replica: 8 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -1127.283766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.283766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.283766 (E_RNA) where: Base-Base interactions energy: -744.463 where: short stacking energy: -336.696 Base-Backbone interact. energy: -1.415 local terms energy: -381.406150 where: bonds (distance) C4'-P energy: -65.326 bonds (distance) P-C4' energy: -79.102 flat angles C4'-P-C4' energy: -89.387 flat angles P-C4'-P energy: -55.268 tors. eta vs tors. theta energy: -92.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -1100.943965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.943965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.943965 (E_RNA) where: Base-Base interactions energy: -702.573 where: short stacking energy: -317.804 Base-Backbone interact. energy: -0.111 local terms energy: -398.260397 where: bonds (distance) C4'-P energy: -68.222 bonds (distance) P-C4' energy: -82.225 flat angles C4'-P-C4' energy: -79.193 flat angles P-C4'-P energy: -66.562 tors. eta vs tors. theta energy: -102.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -906.307285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.307285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.307285 (E_RNA) where: Base-Base interactions energy: -595.480 where: short stacking energy: -281.880 Base-Backbone interact. energy: -0.385 local terms energy: -310.442406 where: bonds (distance) C4'-P energy: -52.126 bonds (distance) P-C4' energy: -71.554 flat angles C4'-P-C4' energy: -71.193 flat angles P-C4'-P energy: -48.805 tors. eta vs tors. theta energy: -66.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -799.291810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.291810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.291810 (E_RNA) where: Base-Base interactions energy: -502.047 where: short stacking energy: -245.841 Base-Backbone interact. energy: -1.383 local terms energy: -295.861014 where: bonds (distance) C4'-P energy: -60.264 bonds (distance) P-C4' energy: -59.952 flat angles C4'-P-C4' energy: -73.393 flat angles P-C4'-P energy: -54.120 tors. eta vs tors. theta energy: -48.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -387.962559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.962559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.962559 (E_RNA) where: Base-Base interactions energy: -140.103 where: short stacking energy: -112.319 Base-Backbone interact. energy: -0.310 local terms energy: -247.548972 where: bonds (distance) C4'-P energy: -67.226 bonds (distance) P-C4' energy: -76.545 flat angles C4'-P-C4' energy: -65.607 flat angles P-C4'-P energy: -31.629 tors. eta vs tors. theta energy: -6.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -352.818171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.818171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.818171 (E_RNA) where: Base-Base interactions energy: -115.934 where: short stacking energy: -105.354 Base-Backbone interact. energy: -2.146 local terms energy: -234.738257 where: bonds (distance) C4'-P energy: -78.263 bonds (distance) P-C4' energy: -71.262 flat angles C4'-P-C4' energy: -50.558 flat angles P-C4'-P energy: -40.359 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: 10, replica: 10 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -326.836031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.836031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.836031 (E_RNA) where: Base-Base interactions energy: -122.482 where: short stacking energy: -80.656 Base-Backbone interact. energy: -1.869 local terms energy: -202.484609 where: bonds (distance) C4'-P energy: -65.859 bonds (distance) P-C4' energy: -68.521 flat angles C4'-P-C4' energy: -53.979 flat angles P-C4'-P energy: -36.419 tors. eta vs tors. theta energy: 22.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -1366.122948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.122948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.122948 (E_RNA) where: Base-Base interactions energy: -952.007 where: short stacking energy: -392.483 Base-Backbone interact. energy: -0.969 local terms energy: -413.146824 where: bonds (distance) C4'-P energy: -78.632 bonds (distance) P-C4' energy: -77.809 flat angles C4'-P-C4' energy: -91.463 flat angles P-C4'-P energy: -59.613 tors. eta vs tors. theta energy: -105.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -1246.839618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.839618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.839618 (E_RNA) where: Base-Base interactions energy: -826.494 where: short stacking energy: -393.537 Base-Backbone interact. energy: 0.382 local terms energy: -420.727119 where: bonds (distance) C4'-P energy: -83.927 bonds (distance) P-C4' energy: -77.333 flat angles C4'-P-C4' energy: -82.793 flat angles P-C4'-P energy: -66.164 tors. eta vs tors. theta energy: -110.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -1153.492383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.492383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.492383 (E_RNA) where: Base-Base interactions energy: -752.691 where: short stacking energy: -339.193 Base-Backbone interact. energy: -1.905 local terms energy: -398.896165 where: bonds (distance) C4'-P energy: -80.255 bonds (distance) P-C4' energy: -85.238 flat angles C4'-P-C4' energy: -85.547 flat angles P-C4'-P energy: -48.904 tors. eta vs tors. theta energy: -98.951 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: 4, replica: 8 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -1097.880832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.880832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.880832 (E_RNA) where: Base-Base interactions energy: -708.761 where: short stacking energy: -331.459 Base-Backbone interact. energy: -1.135 local terms energy: -387.984596 where: bonds (distance) C4'-P energy: -87.008 bonds (distance) P-C4' energy: -79.125 flat angles C4'-P-C4' energy: -79.586 flat angles P-C4'-P energy: -54.272 tors. eta vs tors. theta energy: -87.993 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: 55 Temperature: 1.100000 Total energy: -1112.453468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.453468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.453468 (E_RNA) where: Base-Base interactions energy: -721.919 where: short stacking energy: -321.745 Base-Backbone interact. energy: -1.362 local terms energy: -389.171781 where: bonds (distance) C4'-P energy: -69.396 bonds (distance) P-C4' energy: -79.043 flat angles C4'-P-C4' energy: -85.717 flat angles P-C4'-P energy: -55.114 tors. eta vs tors. theta energy: -99.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -920.061507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.061507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.061507 (E_RNA) where: Base-Base interactions energy: -597.572 where: short stacking energy: -280.322 Base-Backbone interact. energy: -2.358 local terms energy: -320.131770 where: bonds (distance) C4'-P energy: -63.579 bonds (distance) P-C4' energy: -62.362 flat angles C4'-P-C4' energy: -77.746 flat angles P-C4'-P energy: -53.747 tors. eta vs tors. theta energy: -62.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -750.001299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.001299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.001299 (E_RNA) where: Base-Base interactions energy: -455.297 where: short stacking energy: -224.078 Base-Backbone interact. energy: -1.838 local terms energy: -292.867130 where: bonds (distance) C4'-P energy: -57.606 bonds (distance) P-C4' energy: -72.478 flat angles C4'-P-C4' energy: -86.589 flat angles P-C4'-P energy: -39.729 tors. eta vs tors. theta energy: -36.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -372.436983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.436983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.436983 (E_RNA) where: Base-Base interactions energy: -128.878 where: short stacking energy: -112.154 Base-Backbone interact. energy: -0.702 local terms energy: -242.856892 where: bonds (distance) C4'-P energy: -74.161 bonds (distance) P-C4' energy: -61.064 flat angles C4'-P-C4' energy: -60.564 flat angles P-C4'-P energy: -47.798 tors. eta vs tors. theta energy: 0.730 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: 4 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -351.888460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.888460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.888460 (E_RNA) where: Base-Base interactions energy: -141.873 where: short stacking energy: -115.518 Base-Backbone interact. energy: -1.245 local terms energy: -208.769883 where: bonds (distance) C4'-P energy: -61.506 bonds (distance) P-C4' energy: -72.801 flat angles C4'-P-C4' energy: -55.408 flat angles P-C4'-P energy: -17.279 tors. eta vs tors. theta energy: -1.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -330.943123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.943123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.943123 (E_RNA) where: Base-Base interactions energy: -103.273 where: short stacking energy: -86.858 Base-Backbone interact. energy: 4.830 local terms energy: -232.500404 where: bonds (distance) C4'-P energy: -76.452 bonds (distance) P-C4' energy: -66.932 flat angles C4'-P-C4' energy: -60.401 flat angles P-C4'-P energy: -42.723 tors. eta vs tors. theta energy: 14.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -1356.666698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.666698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.666698 (E_RNA) where: Base-Base interactions energy: -938.598 where: short stacking energy: -396.911 Base-Backbone interact. energy: -3.681 local terms energy: -414.387250 where: bonds (distance) C4'-P energy: -82.969 bonds (distance) P-C4' energy: -75.642 flat angles C4'-P-C4' energy: -95.322 flat angles P-C4'-P energy: -51.936 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: 2, replica: 5 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -1238.526472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.526472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.526472 (E_RNA) where: Base-Base interactions energy: -819.748 where: short stacking energy: -369.585 Base-Backbone interact. energy: -0.302 local terms energy: -418.476263 where: bonds (distance) C4'-P energy: -78.560 bonds (distance) P-C4' energy: -84.990 flat angles C4'-P-C4' energy: -81.153 flat angles P-C4'-P energy: -62.646 tors. eta vs tors. theta energy: -111.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -1153.105727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.105727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.105727 (E_RNA) where: Base-Base interactions energy: -758.479 where: short stacking energy: -357.244 Base-Backbone interact. energy: -0.257 local terms energy: -394.369946 where: bonds (distance) C4'-P energy: -74.671 bonds (distance) P-C4' energy: -81.092 flat angles C4'-P-C4' energy: -80.367 flat angles P-C4'-P energy: -55.620 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: 4, replica: 8 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -1098.278638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.278638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.278638 (E_RNA) where: Base-Base interactions energy: -714.094 where: short stacking energy: -323.225 Base-Backbone interact. energy: -1.829 local terms energy: -382.355671 where: bonds (distance) C4'-P energy: -69.419 bonds (distance) P-C4' energy: -86.430 flat angles C4'-P-C4' energy: -84.524 flat angles P-C4'-P energy: -57.975 tors. eta vs tors. theta energy: -84.008 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: 9 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -1062.119238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.119238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.119238 (E_RNA) where: Base-Base interactions energy: -685.214 where: short stacking energy: -307.942 Base-Backbone interact. energy: -1.315 local terms energy: -375.590272 where: bonds (distance) C4'-P energy: -81.152 bonds (distance) P-C4' energy: -79.368 flat angles C4'-P-C4' energy: -82.653 flat angles P-C4'-P energy: -48.023 tors. eta vs tors. theta energy: -84.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -929.535247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.535247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.535247 (E_RNA) where: Base-Base interactions energy: -599.227 where: short stacking energy: -283.758 Base-Backbone interact. energy: -0.661 local terms energy: -329.647649 where: bonds (distance) C4'-P energy: -70.043 bonds (distance) P-C4' energy: -65.044 flat angles C4'-P-C4' energy: -73.622 flat angles P-C4'-P energy: -45.442 tors. eta vs tors. theta energy: -75.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -774.964955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.964955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.964955 (E_RNA) where: Base-Base interactions energy: -468.271 where: short stacking energy: -224.511 Base-Backbone interact. energy: 0.897 local terms energy: -307.591076 where: bonds (distance) C4'-P energy: -91.482 bonds (distance) P-C4' energy: -70.890 flat angles C4'-P-C4' energy: -43.537 flat angles P-C4'-P energy: -41.304 tors. eta vs tors. theta energy: -60.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -387.034754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.034754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.034754 (E_RNA) where: Base-Base interactions energy: -155.804 where: short stacking energy: -123.223 Base-Backbone interact. energy: 1.712 local terms energy: -232.941792 where: bonds (distance) C4'-P energy: -72.153 bonds (distance) P-C4' energy: -65.785 flat angles C4'-P-C4' energy: -62.187 flat angles P-C4'-P energy: -33.633 tors. eta vs tors. theta energy: 0.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -365.609494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.609494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.609494 (E_RNA) where: Base-Base interactions energy: -137.320 where: short stacking energy: -116.508 Base-Backbone interact. energy: -1.051 local terms energy: -227.239133 where: bonds (distance) C4'-P energy: -70.948 bonds (distance) P-C4' energy: -78.770 flat angles C4'-P-C4' energy: -50.193 flat angles P-C4'-P energy: -33.601 tors. eta vs tors. theta energy: 6.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -320.479394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.479394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.479394 (E_RNA) where: Base-Base interactions energy: -91.873 where: short stacking energy: -79.437 Base-Backbone interact. energy: 0.199 local terms energy: -228.805337 where: bonds (distance) C4'-P energy: -75.270 bonds (distance) P-C4' energy: -78.891 flat angles C4'-P-C4' energy: -68.141 flat angles P-C4'-P energy: -27.692 tors. eta vs tors. theta energy: 21.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -1366.653582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.653582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.653582 (E_RNA) where: Base-Base interactions energy: -953.486 where: short stacking energy: -398.552 Base-Backbone interact. energy: 1.751 local terms energy: -414.918191 where: bonds (distance) C4'-P energy: -74.373 bonds (distance) P-C4' energy: -69.273 flat angles C4'-P-C4' energy: -90.920 flat angles P-C4'-P energy: -69.456 tors. eta vs tors. theta energy: -110.896 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: 5 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -1251.601114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.601114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.601114 (E_RNA) where: Base-Base interactions energy: -841.800 where: short stacking energy: -411.846 Base-Backbone interact. energy: -0.856 local terms energy: -408.944842 where: bonds (distance) C4'-P energy: -72.833 bonds (distance) P-C4' energy: -65.034 flat angles C4'-P-C4' energy: -93.281 flat angles P-C4'-P energy: -54.984 tors. eta vs tors. theta energy: -122.814 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: 1 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -1164.311958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.311958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.311958 (E_RNA) where: Base-Base interactions energy: -784.283 where: short stacking energy: -371.745 Base-Backbone interact. energy: -1.606 local terms energy: -378.423137 where: bonds (distance) C4'-P energy: -81.349 bonds (distance) P-C4' energy: -67.245 flat angles C4'-P-C4' energy: -85.023 flat angles P-C4'-P energy: -46.772 tors. eta vs tors. theta energy: -98.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -1093.612313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.612313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.612313 (E_RNA) where: Base-Base interactions energy: -716.713 where: short stacking energy: -313.448 Base-Backbone interact. energy: -0.891 local terms energy: -376.008831 where: bonds (distance) C4'-P energy: -65.057 bonds (distance) P-C4' energy: -86.178 flat angles C4'-P-C4' energy: -76.521 flat angles P-C4'-P energy: -60.630 tors. eta vs tors. theta energy: -87.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -1074.752618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.752618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.752618 (E_RNA) where: Base-Base interactions energy: -713.864 where: short stacking energy: -320.170 Base-Backbone interact. energy: 1.996 local terms energy: -362.884815 where: bonds (distance) C4'-P energy: -79.937 bonds (distance) P-C4' energy: -70.341 flat angles C4'-P-C4' energy: -80.880 flat angles P-C4'-P energy: -47.111 tors. eta vs tors. theta energy: -84.615 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: 7 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -886.335134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.335134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.335134 (E_RNA) where: Base-Base interactions energy: -551.091 where: short stacking energy: -260.394 Base-Backbone interact. energy: -0.386 local terms energy: -334.858730 where: bonds (distance) C4'-P energy: -82.206 bonds (distance) P-C4' energy: -72.085 flat angles C4'-P-C4' energy: -76.863 flat angles P-C4'-P energy: -46.419 tors. eta vs tors. theta energy: -57.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -793.207665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.207665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.207665 (E_RNA) where: Base-Base interactions energy: -461.778 where: short stacking energy: -203.789 Base-Backbone interact. energy: -1.063 local terms energy: -330.366265 where: bonds (distance) C4'-P energy: -73.438 bonds (distance) P-C4' energy: -83.408 flat angles C4'-P-C4' energy: -75.726 flat angles P-C4'-P energy: -47.827 tors. eta vs tors. theta energy: -49.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -418.561368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.561368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.561368 (E_RNA) where: Base-Base interactions energy: -193.604 where: short stacking energy: -121.842 Base-Backbone interact. energy: 0.896 local terms energy: -225.852877 where: bonds (distance) C4'-P energy: -59.994 bonds (distance) P-C4' energy: -73.288 flat angles C4'-P-C4' energy: -61.836 flat angles P-C4'-P energy: -37.009 tors. eta vs tors. theta energy: 6.275 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: 4 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -337.470570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.470570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.470570 (E_RNA) where: Base-Base interactions energy: -114.152 where: short stacking energy: -99.701 Base-Backbone interact. energy: -4.272 local terms energy: -219.046044 where: bonds (distance) C4'-P energy: -63.701 bonds (distance) P-C4' energy: -71.759 flat angles C4'-P-C4' energy: -64.384 flat angles P-C4'-P energy: -32.239 tors. eta vs tors. theta energy: 13.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -350.538410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.538410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.538410 (E_RNA) where: Base-Base interactions energy: -125.083 where: short stacking energy: -97.757 Base-Backbone interact. energy: -1.558 local terms energy: -223.897108 where: bonds (distance) C4'-P energy: -54.250 bonds (distance) P-C4' energy: -74.441 flat angles C4'-P-C4' energy: -55.962 flat angles P-C4'-P energy: -40.089 tors. eta vs tors. theta energy: 0.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -1371.696527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.696527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.696527 (E_RNA) where: Base-Base interactions energy: -955.627 where: short stacking energy: -387.739 Base-Backbone interact. energy: -2.571 local terms energy: -413.498813 where: bonds (distance) C4'-P energy: -79.945 bonds (distance) P-C4' energy: -82.089 flat angles C4'-P-C4' energy: -86.972 flat angles P-C4'-P energy: -59.087 tors. eta vs tors. theta energy: -105.406 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: 5 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -1257.714831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.714831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.714831 (E_RNA) where: Base-Base interactions energy: -834.314 where: short stacking energy: -390.608 Base-Backbone interact. energy: 0.102 local terms energy: -423.503468 where: bonds (distance) C4'-P energy: -76.436 bonds (distance) P-C4' energy: -78.298 flat angles C4'-P-C4' energy: -94.080 flat angles P-C4'-P energy: -59.635 tors. eta vs tors. theta energy: -115.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -1133.158597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.158597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.158597 (E_RNA) where: Base-Base interactions energy: -769.838 where: short stacking energy: -348.303 Base-Backbone interact. energy: -2.316 local terms energy: -361.004817 where: bonds (distance) C4'-P energy: -73.983 bonds (distance) P-C4' energy: -78.576 flat angles C4'-P-C4' energy: -71.796 flat angles P-C4'-P energy: -42.791 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: 4, replica: 8 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -1099.971164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.971164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.971164 (E_RNA) where: Base-Base interactions energy: -717.944 where: short stacking energy: -321.930 Base-Backbone interact. energy: -1.258 local terms energy: -380.769317 where: bonds (distance) C4'-P energy: -80.080 bonds (distance) P-C4' energy: -68.344 flat angles C4'-P-C4' energy: -84.837 flat angles P-C4'-P energy: -60.485 tors. eta vs tors. theta energy: -87.023 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: 5, replica: 9 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -1085.233304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.233304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.233304 (E_RNA) where: Base-Base interactions energy: -708.484 where: short stacking energy: -319.896 Base-Backbone interact. energy: -2.401 local terms energy: -374.348083 where: bonds (distance) C4'-P energy: -74.302 bonds (distance) P-C4' energy: -78.031 flat angles C4'-P-C4' energy: -81.617 flat angles P-C4'-P energy: -47.902 tors. eta vs tors. theta energy: -92.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -851.736880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.736880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.736880 (E_RNA) where: Base-Base interactions energy: -524.753 where: short stacking energy: -246.266 Base-Backbone interact. energy: 3.767 local terms energy: -330.750323 where: bonds (distance) C4'-P energy: -76.341 bonds (distance) P-C4' energy: -81.601 flat angles C4'-P-C4' energy: -77.789 flat angles P-C4'-P energy: -42.983 tors. eta vs tors. theta energy: -52.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -764.577094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.577094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.577094 (E_RNA) where: Base-Base interactions energy: -454.326 where: short stacking energy: -220.372 Base-Backbone interact. energy: 0.672 local terms energy: -310.923239 where: bonds (distance) C4'-P energy: -70.736 bonds (distance) P-C4' energy: -75.045 flat angles C4'-P-C4' energy: -67.327 flat angles P-C4'-P energy: -42.242 tors. eta vs tors. theta energy: -55.574 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: 2 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -416.701039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.701039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.701039 (E_RNA) where: Base-Base interactions energy: -171.162 where: short stacking energy: -130.269 Base-Backbone interact. energy: -0.892 local terms energy: -244.647446 where: bonds (distance) C4'-P energy: -71.435 bonds (distance) P-C4' energy: -62.645 flat angles C4'-P-C4' energy: -65.487 flat angles P-C4'-P energy: -29.724 tors. eta vs tors. theta energy: -15.356 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: 10 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -369.947173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.947173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.947173 (E_RNA) where: Base-Base interactions energy: -155.649 where: short stacking energy: -109.954 Base-Backbone interact. energy: 0.193 local terms energy: -214.491584 where: bonds (distance) C4'-P energy: -70.185 bonds (distance) P-C4' energy: -67.743 flat angles C4'-P-C4' energy: -52.748 flat angles P-C4'-P energy: -37.172 tors. eta vs tors. theta energy: 13.357 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: 4 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -328.629118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.629118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.629118 (E_RNA) where: Base-Base interactions energy: -120.625 where: short stacking energy: -111.286 Base-Backbone interact. energy: -0.278 local terms energy: -207.726668 where: bonds (distance) C4'-P energy: -71.399 bonds (distance) P-C4' energy: -68.163 flat angles C4'-P-C4' energy: -49.325 flat angles P-C4'-P energy: -32.395 tors. eta vs tors. theta energy: 13.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -1368.283546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.283546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.283546 (E_RNA) where: Base-Base interactions energy: -962.506 where: short stacking energy: -384.356 Base-Backbone interact. energy: -4.084 local terms energy: -401.693895 where: bonds (distance) C4'-P energy: -73.966 bonds (distance) P-C4' energy: -74.814 flat angles C4'-P-C4' energy: -92.317 flat angles P-C4'-P energy: -55.845 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: 2, replica: 5 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -1269.592302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.592302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.592302 (E_RNA) where: Base-Base interactions energy: -833.709 where: short stacking energy: -371.834 Base-Backbone interact. energy: 0.295 local terms energy: -436.177955 where: bonds (distance) C4'-P energy: -80.939 bonds (distance) P-C4' energy: -89.049 flat angles C4'-P-C4' energy: -80.991 flat angles P-C4'-P energy: -65.081 tors. eta vs tors. theta energy: -120.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -1163.181669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.181669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.181669 (E_RNA) where: Base-Base interactions energy: -767.776 where: short stacking energy: -352.926 Base-Backbone interact. energy: -0.634 local terms energy: -394.771759 where: bonds (distance) C4'-P energy: -79.776 bonds (distance) P-C4' energy: -77.806 flat angles C4'-P-C4' energy: -91.268 flat angles P-C4'-P energy: -54.687 tors. eta vs tors. theta energy: -91.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -1102.423372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.423372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.423372 (E_RNA) where: Base-Base interactions energy: -725.715 where: short stacking energy: -319.129 Base-Backbone interact. energy: -2.151 local terms energy: -374.557838 where: bonds (distance) C4'-P energy: -71.950 bonds (distance) P-C4' energy: -74.523 flat angles C4'-P-C4' energy: -81.707 flat angles P-C4'-P energy: -61.886 tors. eta vs tors. theta energy: -84.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -1046.312564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.312564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.312564 (E_RNA) where: Base-Base interactions energy: -676.309 where: short stacking energy: -309.127 Base-Backbone interact. energy: 0.150 local terms energy: -370.153800 where: bonds (distance) C4'-P energy: -81.865 bonds (distance) P-C4' energy: -79.504 flat angles C4'-P-C4' energy: -73.051 flat angles P-C4'-P energy: -47.455 tors. eta vs tors. theta energy: -88.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -844.277098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.277098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.277098 (E_RNA) where: Base-Base interactions energy: -496.413 where: short stacking energy: -231.000 Base-Backbone interact. energy: -2.089 local terms energy: -345.774860 where: bonds (distance) C4'-P energy: -72.235 bonds (distance) P-C4' energy: -88.654 flat angles C4'-P-C4' energy: -87.259 flat angles P-C4'-P energy: -41.540 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: 7, replica: 6 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -735.960110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.960110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.960110 (E_RNA) where: Base-Base interactions energy: -438.910 where: short stacking energy: -218.375 Base-Backbone interact. energy: -0.107 local terms energy: -296.943147 where: bonds (distance) C4'-P energy: -72.519 bonds (distance) P-C4' energy: -60.401 flat angles C4'-P-C4' energy: -72.255 flat angles P-C4'-P energy: -43.959 tors. eta vs tors. theta energy: -47.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -406.694110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.694110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.694110 (E_RNA) where: Base-Base interactions energy: -167.069 where: short stacking energy: -125.216 Base-Backbone interact. energy: -0.276 local terms energy: -239.349343 where: bonds (distance) C4'-P energy: -58.013 bonds (distance) P-C4' energy: -69.922 flat angles C4'-P-C4' energy: -60.635 flat angles P-C4'-P energy: -48.149 tors. eta vs tors. theta energy: -2.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -354.428084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.428084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.428084 (E_RNA) where: Base-Base interactions energy: -121.229 where: short stacking energy: -86.561 Base-Backbone interact. energy: 3.092 local terms energy: -236.291411 where: bonds (distance) C4'-P energy: -76.497 bonds (distance) P-C4' energy: -69.230 flat angles C4'-P-C4' energy: -56.216 flat angles P-C4'-P energy: -37.065 tors. eta vs tors. theta energy: 2.716 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: 10, replica: 4 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -337.814131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.814131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.814131 (E_RNA) where: Base-Base interactions energy: -113.457 where: short stacking energy: -87.107 Base-Backbone interact. energy: -0.085 local terms energy: -224.271970 where: bonds (distance) C4'-P energy: -83.982 bonds (distance) P-C4' energy: -69.977 flat angles C4'-P-C4' energy: -54.228 flat angles P-C4'-P energy: -24.548 tors. eta vs tors. theta energy: 8.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -1317.180998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.180998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.180998 (E_RNA) where: Base-Base interactions energy: -930.559 where: short stacking energy: -374.852 Base-Backbone interact. energy: -0.955 local terms energy: -385.666476 where: bonds (distance) C4'-P energy: -72.830 bonds (distance) P-C4' energy: -74.991 flat angles C4'-P-C4' energy: -86.089 flat angles P-C4'-P energy: -59.795 tors. eta vs tors. theta energy: -91.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -1243.381863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.381863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.381863 (E_RNA) where: Base-Base interactions energy: -809.532 where: short stacking energy: -374.807 Base-Backbone interact. energy: -2.468 local terms energy: -431.381574 where: bonds (distance) C4'-P energy: -78.435 bonds (distance) P-C4' energy: -91.896 flat angles C4'-P-C4' energy: -92.489 flat angles P-C4'-P energy: -65.432 tors. eta vs tors. theta energy: -103.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -1160.892621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.892621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.892621 (E_RNA) where: Base-Base interactions energy: -793.734 where: short stacking energy: -326.255 Base-Backbone interact. energy: -1.336 local terms energy: -365.822736 where: bonds (distance) C4'-P energy: -78.049 bonds (distance) P-C4' energy: -83.894 flat angles C4'-P-C4' energy: -73.819 flat angles P-C4'-P energy: -57.462 tors. eta vs tors. theta energy: -72.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -1120.618588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.618588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.618588 (E_RNA) where: Base-Base interactions energy: -731.677 where: short stacking energy: -330.764 Base-Backbone interact. energy: -2.600 local terms energy: -386.340839 where: bonds (distance) C4'-P energy: -69.766 bonds (distance) P-C4' energy: -73.301 flat angles C4'-P-C4' energy: -83.044 flat angles P-C4'-P energy: -60.565 tors. eta vs tors. theta energy: -99.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -1073.682208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.682208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.682208 (E_RNA) where: Base-Base interactions energy: -690.487 where: short stacking energy: -322.924 Base-Backbone interact. energy: -0.673 local terms energy: -382.522748 where: bonds (distance) C4'-P energy: -78.335 bonds (distance) P-C4' energy: -82.062 flat angles C4'-P-C4' energy: -75.455 flat angles P-C4'-P energy: -54.156 tors. eta vs tors. theta energy: -92.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -924.720595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.720595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.720595 (E_RNA) where: Base-Base interactions energy: -590.610 where: short stacking energy: -255.679 Base-Backbone interact. energy: 0.726 local terms energy: -334.836807 where: bonds (distance) C4'-P energy: -88.316 bonds (distance) P-C4' energy: -70.172 flat angles C4'-P-C4' energy: -68.702 flat angles P-C4'-P energy: -48.076 tors. eta vs tors. theta energy: -59.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -730.504835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.504835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.504835 (E_RNA) where: Base-Base interactions energy: -429.565 where: short stacking energy: -189.913 Base-Backbone interact. energy: 2.040 local terms energy: -302.979228 where: bonds (distance) C4'-P energy: -55.845 bonds (distance) P-C4' energy: -81.988 flat angles C4'-P-C4' energy: -76.737 flat angles P-C4'-P energy: -40.581 tors. eta vs tors. theta energy: -47.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -402.255041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.255041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.255041 (E_RNA) where: Base-Base interactions energy: -151.192 where: short stacking energy: -131.866 Base-Backbone interact. energy: -1.629 local terms energy: -249.433816 where: bonds (distance) C4'-P energy: -73.009 bonds (distance) P-C4' energy: -66.233 flat angles C4'-P-C4' energy: -59.255 flat angles P-C4'-P energy: -46.620 tors. eta vs tors. theta energy: -4.316 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: 2 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -349.376436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.376436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.376436 (E_RNA) where: Base-Base interactions energy: -119.309 where: short stacking energy: -111.929 Base-Backbone interact. energy: -0.985 local terms energy: -229.081939 where: bonds (distance) C4'-P energy: -69.772 bonds (distance) P-C4' energy: -74.799 flat angles C4'-P-C4' energy: -58.012 flat angles P-C4'-P energy: -31.662 tors. eta vs tors. theta energy: 5.163 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: 10, replica: 4 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -328.910108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.910108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.910108 (E_RNA) where: Base-Base interactions energy: -105.360 where: short stacking energy: -84.979 Base-Backbone interact. energy: -0.304 local terms energy: -223.246836 where: bonds (distance) C4'-P energy: -62.845 bonds (distance) P-C4' energy: -65.873 flat angles C4'-P-C4' energy: -66.010 flat angles P-C4'-P energy: -28.076 tors. eta vs tors. theta energy: -0.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -1309.475139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.475139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.475139 (E_RNA) where: Base-Base interactions energy: -911.808 where: short stacking energy: -379.728 Base-Backbone interact. energy: -3.294 local terms energy: -394.373281 where: bonds (distance) C4'-P energy: -71.465 bonds (distance) P-C4' energy: -70.302 flat angles C4'-P-C4' energy: -84.153 flat angles P-C4'-P energy: -64.675 tors. eta vs tors. theta energy: -103.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -1242.789751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.789751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.789751 (E_RNA) where: Base-Base interactions energy: -831.450 where: short stacking energy: -395.891 Base-Backbone interact. energy: -0.435 local terms energy: -410.904192 where: bonds (distance) C4'-P energy: -71.084 bonds (distance) P-C4' energy: -76.394 flat angles C4'-P-C4' energy: -89.851 flat angles P-C4'-P energy: -58.074 tors. eta vs tors. theta energy: -115.502 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: 1 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -1153.142799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.142799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.142799 (E_RNA) where: Base-Base interactions energy: -763.254 where: short stacking energy: -319.011 Base-Backbone interact. energy: -1.269 local terms energy: -388.620455 where: bonds (distance) C4'-P energy: -86.585 bonds (distance) P-C4' energy: -71.286 flat angles C4'-P-C4' energy: -80.589 flat angles P-C4'-P energy: -59.312 tors. eta vs tors. theta energy: -90.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -1160.839799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.839799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.839799 (E_RNA) where: Base-Base interactions energy: -778.750 where: short stacking energy: -346.037 Base-Backbone interact. energy: 1.953 local terms energy: -384.042809 where: bonds (distance) C4'-P energy: -69.866 bonds (distance) P-C4' energy: -69.511 flat angles C4'-P-C4' energy: -84.560 flat angles P-C4'-P energy: -53.695 tors. eta vs tors. theta energy: -106.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -1045.921205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.921205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.921205 (E_RNA) where: Base-Base interactions energy: -696.137 where: short stacking energy: -299.249 Base-Backbone interact. energy: -3.150 local terms energy: -346.634959 where: bonds (distance) C4'-P energy: -60.118 bonds (distance) P-C4' energy: -68.912 flat angles C4'-P-C4' energy: -89.852 flat angles P-C4'-P energy: -43.534 tors. eta vs tors. theta energy: -84.219 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: 61 Temperature: 1.150000 Total energy: -911.889808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.889808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.889808 (E_RNA) where: Base-Base interactions energy: -603.155 where: short stacking energy: -269.241 Base-Backbone interact. energy: 1.286 local terms energy: -310.020583 where: bonds (distance) C4'-P energy: -58.104 bonds (distance) P-C4' energy: -63.336 flat angles C4'-P-C4' energy: -73.686 flat angles P-C4'-P energy: -47.887 tors. eta vs tors. theta energy: -67.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -740.652362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.652362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.652362 (E_RNA) where: Base-Base interactions energy: -419.620 where: short stacking energy: -207.247 Base-Backbone interact. energy: 1.088 local terms energy: -322.119671 where: bonds (distance) C4'-P energy: -69.182 bonds (distance) P-C4' energy: -87.961 flat angles C4'-P-C4' energy: -70.612 flat angles P-C4'-P energy: -52.083 tors. eta vs tors. theta energy: -42.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -413.966789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.966789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.966789 (E_RNA) where: Base-Base interactions energy: -164.920 where: short stacking energy: -127.000 Base-Backbone interact. energy: -2.486 local terms energy: -246.561078 where: bonds (distance) C4'-P energy: -62.690 bonds (distance) P-C4' energy: -85.507 flat angles C4'-P-C4' energy: -61.702 flat angles P-C4'-P energy: -28.280 tors. eta vs tors. theta energy: -8.382 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: 2 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -395.834883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.834883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.834883 (E_RNA) where: Base-Base interactions energy: -139.308 where: short stacking energy: -91.366 Base-Backbone interact. energy: -0.030 local terms energy: -256.497433 where: bonds (distance) C4'-P energy: -67.839 bonds (distance) P-C4' energy: -74.639 flat angles C4'-P-C4' energy: -70.436 flat angles P-C4'-P energy: -42.652 tors. eta vs tors. theta energy: -0.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -328.887931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.887931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.887931 (E_RNA) where: Base-Base interactions energy: -135.554 where: short stacking energy: -110.339 Base-Backbone interact. energy: -1.181 local terms energy: -192.152414 where: bonds (distance) C4'-P energy: -55.134 bonds (distance) P-C4' energy: -64.497 flat angles C4'-P-C4' energy: -49.081 flat angles P-C4'-P energy: -27.413 tors. eta vs tors. theta energy: 3.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -1354.530633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.530633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.530633 (E_RNA) where: Base-Base interactions energy: -914.693 where: short stacking energy: -396.664 Base-Backbone interact. energy: -0.726 local terms energy: -439.111566 where: bonds (distance) C4'-P energy: -89.721 bonds (distance) P-C4' energy: -84.256 flat angles C4'-P-C4' energy: -94.692 flat angles P-C4'-P energy: -59.949 tors. eta vs tors. theta energy: -110.493 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: 2, replica: 5 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -1240.973341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.973341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.973341 (E_RNA) where: Base-Base interactions energy: -808.121 where: short stacking energy: -376.807 Base-Backbone interact. energy: -1.405 local terms energy: -431.446845 where: bonds (distance) C4'-P energy: -82.746 bonds (distance) P-C4' energy: -77.654 flat angles C4'-P-C4' energy: -93.811 flat angles P-C4'-P energy: -60.358 tors. eta vs tors. theta energy: -116.879 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: 9 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -1208.262014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.262014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.262014 (E_RNA) where: Base-Base interactions energy: -802.393 where: short stacking energy: -365.358 Base-Backbone interact. energy: -1.381 local terms energy: -404.487520 where: bonds (distance) C4'-P energy: -82.108 bonds (distance) P-C4' energy: -68.917 flat angles C4'-P-C4' energy: -93.221 flat angles P-C4'-P energy: -53.413 tors. eta vs tors. theta energy: -106.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -1116.887420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.887420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.887420 (E_RNA) where: Base-Base interactions energy: -717.415 where: short stacking energy: -318.639 Base-Backbone interact. energy: -0.629 local terms energy: -398.844038 where: bonds (distance) C4'-P energy: -85.057 bonds (distance) P-C4' energy: -79.477 flat angles C4'-P-C4' energy: -87.047 flat angles P-C4'-P energy: -41.438 tors. eta vs tors. theta energy: -105.824 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: 5, replica: 7 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -972.358637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.358637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.358637 (E_RNA) where: Base-Base interactions energy: -648.051 where: short stacking energy: -266.066 Base-Backbone interact. energy: -1.571 local terms energy: -322.736464 where: bonds (distance) C4'-P energy: -72.400 bonds (distance) P-C4' energy: -76.050 flat angles C4'-P-C4' energy: -67.745 flat angles P-C4'-P energy: -51.962 tors. eta vs tors. theta energy: -54.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -1006.388209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.388209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.388209 (E_RNA) where: Base-Base interactions energy: -647.164 where: short stacking energy: -288.761 Base-Backbone interact. energy: 0.278 local terms energy: -359.502001 where: bonds (distance) C4'-P energy: -75.358 bonds (distance) P-C4' energy: -76.148 flat angles C4'-P-C4' energy: -75.002 flat angles P-C4'-P energy: -50.681 tors. eta vs tors. theta energy: -82.313 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: 6 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -832.201460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.201460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.201460 (E_RNA) where: Base-Base interactions energy: -504.075 where: short stacking energy: -234.911 Base-Backbone interact. energy: -2.375 local terms energy: -325.751582 where: bonds (distance) C4'-P energy: -74.988 bonds (distance) P-C4' energy: -80.514 flat angles C4'-P-C4' energy: -74.535 flat angles P-C4'-P energy: -43.161 tors. eta vs tors. theta energy: -52.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -386.131801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.131801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.131801 (E_RNA) where: Base-Base interactions energy: -141.259 where: short stacking energy: -125.404 Base-Backbone interact. energy: -0.256 local terms energy: -244.616629 where: bonds (distance) C4'-P energy: -68.853 bonds (distance) P-C4' energy: -74.136 flat angles C4'-P-C4' energy: -64.239 flat angles P-C4'-P energy: -41.978 tors. eta vs tors. theta energy: 4.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -351.068294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.068294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.068294 (E_RNA) where: Base-Base interactions energy: -139.891 where: short stacking energy: -104.512 Base-Backbone interact. energy: -1.185 local terms energy: -209.992857 where: bonds (distance) C4'-P energy: -74.870 bonds (distance) P-C4' energy: -53.989 flat angles C4'-P-C4' energy: -54.156 flat angles P-C4'-P energy: -36.203 tors. eta vs tors. theta energy: 9.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -360.085904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.085904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.085904 (E_RNA) where: Base-Base interactions energy: -122.674 where: short stacking energy: -89.565 Base-Backbone interact. energy: 4.132 local terms energy: -241.543842 where: bonds (distance) C4'-P energy: -83.084 bonds (distance) P-C4' energy: -71.924 flat angles C4'-P-C4' energy: -60.380 flat angles P-C4'-P energy: -38.543 tors. eta vs tors. theta energy: 12.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -1358.639153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.639153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.639153 (E_RNA) where: Base-Base interactions energy: -945.563 where: short stacking energy: -395.428 Base-Backbone interact. energy: -3.017 local terms energy: -410.059326 where: bonds (distance) C4'-P energy: -78.465 bonds (distance) P-C4' energy: -75.211 flat angles C4'-P-C4' energy: -89.221 flat angles P-C4'-P energy: -56.411 tors. eta vs tors. theta energy: -110.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -1215.647001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.647001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.647001 (E_RNA) where: Base-Base interactions energy: -806.936 where: short stacking energy: -377.510 Base-Backbone interact. energy: -0.668 local terms energy: -408.043599 where: bonds (distance) C4'-P energy: -71.898 bonds (distance) P-C4' energy: -82.866 flat angles C4'-P-C4' energy: -90.472 flat angles P-C4'-P energy: -52.788 tors. eta vs tors. theta energy: -110.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -1194.462972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.462972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.462972 (E_RNA) where: Base-Base interactions energy: -774.111 where: short stacking energy: -362.977 Base-Backbone interact. energy: -1.071 local terms energy: -419.281450 where: bonds (distance) C4'-P energy: -87.696 bonds (distance) P-C4' energy: -83.007 flat angles C4'-P-C4' energy: -89.974 flat angles P-C4'-P energy: -56.017 tors. eta vs tors. theta energy: -102.588 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: 4, replica: 1 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -1075.208325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.208325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.208325 (E_RNA) where: Base-Base interactions energy: -731.108 where: short stacking energy: -294.486 Base-Backbone interact. energy: 0.635 local terms energy: -344.735087 where: bonds (distance) C4'-P energy: -68.501 bonds (distance) P-C4' energy: -74.801 flat angles C4'-P-C4' energy: -74.909 flat angles P-C4'-P energy: -45.628 tors. eta vs tors. theta energy: -80.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -1002.958797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.958797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.958797 (E_RNA) where: Base-Base interactions energy: -646.713 where: short stacking energy: -274.456 Base-Backbone interact. energy: -1.261 local terms energy: -354.984917 where: bonds (distance) C4'-P energy: -74.992 bonds (distance) P-C4' energy: -75.174 flat angles C4'-P-C4' energy: -81.140 flat angles P-C4'-P energy: -46.938 tors. eta vs tors. theta energy: -76.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -1027.284163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.284163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.284163 (E_RNA) where: Base-Base interactions energy: -679.711 where: short stacking energy: -291.903 Base-Backbone interact. energy: -2.487 local terms energy: -345.086215 where: bonds (distance) C4'-P energy: -53.075 bonds (distance) P-C4' energy: -79.148 flat angles C4'-P-C4' energy: -85.682 flat angles P-C4'-P energy: -46.127 tors. eta vs tors. theta energy: -81.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -852.120538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.120538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.120538 (E_RNA) where: Base-Base interactions energy: -520.357 where: short stacking energy: -252.715 Base-Backbone interact. energy: -1.415 local terms energy: -330.348311 where: bonds (distance) C4'-P energy: -78.434 bonds (distance) P-C4' energy: -67.501 flat angles C4'-P-C4' energy: -69.310 flat angles P-C4'-P energy: -44.539 tors. eta vs tors. theta energy: -70.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -374.947520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.947520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.947520 (E_RNA) where: Base-Base interactions energy: -140.217 where: short stacking energy: -121.978 Base-Backbone interact. energy: 0.901 local terms energy: -235.631398 where: bonds (distance) C4'-P energy: -79.527 bonds (distance) P-C4' energy: -70.316 flat angles C4'-P-C4' energy: -62.330 flat angles P-C4'-P energy: -26.722 tors. eta vs tors. theta energy: 3.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -407.787394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.787394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.787394 (E_RNA) where: Base-Base interactions energy: -192.278 where: short stacking energy: -151.141 Base-Backbone interact. energy: 4.457 local terms energy: -219.966550 where: bonds (distance) C4'-P energy: -58.415 bonds (distance) P-C4' energy: -73.008 flat angles C4'-P-C4' energy: -54.844 flat angles P-C4'-P energy: -25.646 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: 10, replica: 2 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -340.618623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.618623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.618623 (E_RNA) where: Base-Base interactions energy: -127.045 where: short stacking energy: -86.859 Base-Backbone interact. energy: 1.771 local terms energy: -215.345449 where: bonds (distance) C4'-P energy: -69.264 bonds (distance) P-C4' energy: -67.287 flat angles C4'-P-C4' energy: -43.914 flat angles P-C4'-P energy: -35.933 tors. eta vs tors. theta energy: 1.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -1345.130167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.130167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.130167 (E_RNA) where: Base-Base interactions energy: -915.267 where: short stacking energy: -387.265 Base-Backbone interact. energy: -2.282 local terms energy: -427.581650 where: bonds (distance) C4'-P energy: -77.794 bonds (distance) P-C4' energy: -86.491 flat angles C4'-P-C4' energy: -88.919 flat angles P-C4'-P energy: -63.525 tors. eta vs tors. theta energy: -110.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -1231.755240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.755240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.755240 (E_RNA) where: Base-Base interactions energy: -797.107 where: short stacking energy: -384.937 Base-Backbone interact. energy: -2.594 local terms energy: -432.053812 where: bonds (distance) C4'-P energy: -82.655 bonds (distance) P-C4' energy: -74.573 flat angles C4'-P-C4' energy: -97.330 flat angles P-C4'-P energy: -63.782 tors. eta vs tors. theta energy: -113.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -1241.994535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.994535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.994535 (E_RNA) where: Base-Base interactions energy: -827.440 where: short stacking energy: -375.290 Base-Backbone interact. energy: -1.957 local terms energy: -412.597753 where: bonds (distance) C4'-P energy: -71.409 bonds (distance) P-C4' energy: -76.904 flat angles C4'-P-C4' energy: -93.257 flat angles P-C4'-P energy: -50.275 tors. eta vs tors. theta energy: -120.753 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: 1 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -1101.645312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.645312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.645312 (E_RNA) where: Base-Base interactions energy: -735.181 where: short stacking energy: -318.527 Base-Backbone interact. energy: -1.654 local terms energy: -364.810308 where: bonds (distance) C4'-P energy: -72.357 bonds (distance) P-C4' energy: -79.559 flat angles C4'-P-C4' energy: -82.015 flat angles P-C4'-P energy: -47.676 tors. eta vs tors. theta energy: -83.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -1076.922835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.922835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.922835 (E_RNA) where: Base-Base interactions energy: -717.273 where: short stacking energy: -318.521 Base-Backbone interact. energy: -0.206 local terms energy: -359.443569 where: bonds (distance) C4'-P energy: -63.550 bonds (distance) P-C4' energy: -72.525 flat angles C4'-P-C4' energy: -76.862 flat angles P-C4'-P energy: -57.554 tors. eta vs tors. theta energy: -88.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -912.278794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.278794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.278794 (E_RNA) where: Base-Base interactions energy: -589.776 where: short stacking energy: -263.353 Base-Backbone interact. energy: 0.901 local terms energy: -323.403953 where: bonds (distance) C4'-P energy: -65.259 bonds (distance) P-C4' energy: -63.476 flat angles C4'-P-C4' energy: -74.047 flat angles P-C4'-P energy: -61.815 tors. eta vs tors. theta energy: -58.806 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: 6 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -751.866768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.866768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.866768 (E_RNA) where: Base-Base interactions energy: -451.183 where: short stacking energy: -247.984 Base-Backbone interact. energy: -0.285 local terms energy: -300.398278 where: bonds (distance) C4'-P energy: -66.469 bonds (distance) P-C4' energy: -54.592 flat angles C4'-P-C4' energy: -72.898 flat angles P-C4'-P energy: -43.940 tors. eta vs tors. theta energy: -62.499 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: 10 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -378.375360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.375360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.375360 (E_RNA) where: Base-Base interactions energy: -137.255 where: short stacking energy: -109.763 Base-Backbone interact. energy: -3.300 local terms energy: -237.819468 where: bonds (distance) C4'-P energy: -68.477 bonds (distance) P-C4' energy: -78.716 flat angles C4'-P-C4' energy: -55.408 flat angles P-C4'-P energy: -40.135 tors. eta vs tors. theta energy: 4.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -349.638291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.638291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.638291 (E_RNA) where: Base-Base interactions energy: -124.195 where: short stacking energy: -102.326 Base-Backbone interact. energy: -2.979 local terms energy: -222.463629 where: bonds (distance) C4'-P energy: -65.393 bonds (distance) P-C4' energy: -72.407 flat angles C4'-P-C4' energy: -66.241 flat angles P-C4'-P energy: -21.473 tors. eta vs tors. theta energy: 3.050 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: 10, replica: 4 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -374.096864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.096864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.096864 (E_RNA) where: Base-Base interactions energy: -154.884 where: short stacking energy: -114.537 Base-Backbone interact. energy: -2.003 local terms energy: -217.209351 where: bonds (distance) C4'-P energy: -58.751 bonds (distance) P-C4' energy: -64.367 flat angles C4'-P-C4' energy: -50.347 flat angles P-C4'-P energy: -47.196 tors. eta vs tors. theta energy: 3.452 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: 1, replica: 3 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -1327.945756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.945756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.945756 (E_RNA) where: Base-Base interactions energy: -904.991 where: short stacking energy: -383.510 Base-Backbone interact. energy: -1.941 local terms energy: -421.014679 where: bonds (distance) C4'-P energy: -85.360 bonds (distance) P-C4' energy: -71.727 flat angles C4'-P-C4' energy: -95.397 flat angles P-C4'-P energy: -61.315 tors. eta vs tors. theta energy: -107.216 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: 65 Temperature: 0.950000 Total energy: -1227.423810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.423810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.423810 (E_RNA) where: Base-Base interactions energy: -831.536 where: short stacking energy: -369.009 Base-Backbone interact. energy: -1.282 local terms energy: -394.606070 where: bonds (distance) C4'-P energy: -75.315 bonds (distance) P-C4' energy: -70.752 flat angles C4'-P-C4' energy: -85.403 flat angles P-C4'-P energy: -53.670 tors. eta vs tors. theta energy: -109.467 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: 3, replica: 5 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -1192.693574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.693574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.693574 (E_RNA) where: Base-Base interactions energy: -761.807 where: short stacking energy: -350.577 Base-Backbone interact. energy: -2.284 local terms energy: -428.602269 where: bonds (distance) C4'-P energy: -75.962 bonds (distance) P-C4' energy: -85.305 flat angles C4'-P-C4' energy: -90.322 flat angles P-C4'-P energy: -65.337 tors. eta vs tors. theta energy: -111.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -1123.409433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.409433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.409433 (E_RNA) where: Base-Base interactions energy: -732.764 where: short stacking energy: -317.511 Base-Backbone interact. energy: 1.238 local terms energy: -391.882811 where: bonds (distance) C4'-P energy: -86.637 bonds (distance) P-C4' energy: -73.805 flat angles C4'-P-C4' energy: -76.580 flat angles P-C4'-P energy: -53.472 tors. eta vs tors. theta energy: -101.389 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: 8 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -1014.515450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.515450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.515450 (E_RNA) where: Base-Base interactions energy: -651.208 where: short stacking energy: -286.008 Base-Backbone interact. energy: 0.825 local terms energy: -364.132786 where: bonds (distance) C4'-P energy: -78.859 bonds (distance) P-C4' energy: -82.929 flat angles C4'-P-C4' energy: -76.119 flat angles P-C4'-P energy: -52.874 tors. eta vs tors. theta energy: -73.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -859.189518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.189518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.189518 (E_RNA) where: Base-Base interactions energy: -508.737 where: short stacking energy: -224.379 Base-Backbone interact. energy: -1.819 local terms energy: -348.633914 where: bonds (distance) C4'-P energy: -95.302 bonds (distance) P-C4' energy: -79.246 flat angles C4'-P-C4' energy: -63.988 flat angles P-C4'-P energy: -56.770 tors. eta vs tors. theta energy: -53.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -743.012908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.012908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.012908 (E_RNA) where: Base-Base interactions energy: -421.178 where: short stacking energy: -203.426 Base-Backbone interact. energy: -1.139 local terms energy: -320.696870 where: bonds (distance) C4'-P energy: -72.485 bonds (distance) P-C4' energy: -75.035 flat angles C4'-P-C4' energy: -83.393 flat angles P-C4'-P energy: -42.808 tors. eta vs tors. theta energy: -46.976 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: 10 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -388.661760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.661760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.661760 (E_RNA) where: Base-Base interactions energy: -157.792 where: short stacking energy: -123.758 Base-Backbone interact. energy: -1.315 local terms energy: -229.555148 where: bonds (distance) C4'-P energy: -68.413 bonds (distance) P-C4' energy: -62.951 flat angles C4'-P-C4' energy: -71.563 flat angles P-C4'-P energy: -20.924 tors. eta vs tors. theta energy: -5.705 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: 2 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -365.715761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.715761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.715761 (E_RNA) where: Base-Base interactions energy: -147.157 where: short stacking energy: -113.812 Base-Backbone interact. energy: 2.531 local terms energy: -221.089756 where: bonds (distance) C4'-P energy: -60.141 bonds (distance) P-C4' energy: -75.633 flat angles C4'-P-C4' energy: -50.598 flat angles P-C4'-P energy: -41.966 tors. eta vs tors. theta energy: 7.249 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: 4 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -339.636338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.636338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.636338 (E_RNA) where: Base-Base interactions energy: -142.295 where: short stacking energy: -96.700 Base-Backbone interact. energy: -1.280 local terms energy: -196.060997 where: bonds (distance) C4'-P energy: -60.478 bonds (distance) P-C4' energy: -70.364 flat angles C4'-P-C4' energy: -49.148 flat angles P-C4'-P energy: -30.485 tors. eta vs tors. theta energy: 14.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -1309.282201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.282201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.282201 (E_RNA) where: Base-Base interactions energy: -909.209 where: short stacking energy: -375.081 Base-Backbone interact. energy: -2.440 local terms energy: -397.633560 where: bonds (distance) C4'-P energy: -73.381 bonds (distance) P-C4' energy: -77.435 flat angles C4'-P-C4' energy: -87.977 flat angles P-C4'-P energy: -54.565 tors. eta vs tors. theta energy: -104.276 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: 9 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -1263.591652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.591652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.591652 (E_RNA) where: Base-Base interactions energy: -840.858 where: short stacking energy: -384.114 Base-Backbone interact. energy: -0.680 local terms energy: -422.053532 where: bonds (distance) C4'-P energy: -79.175 bonds (distance) P-C4' energy: -80.519 flat angles C4'-P-C4' energy: -90.429 flat angles P-C4'-P energy: -59.235 tors. eta vs tors. theta energy: -112.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -1165.166058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.166058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.166058 (E_RNA) where: Base-Base interactions energy: -783.749 where: short stacking energy: -349.979 Base-Backbone interact. energy: -2.049 local terms energy: -379.367887 where: bonds (distance) C4'-P energy: -76.277 bonds (distance) P-C4' energy: -87.634 flat angles C4'-P-C4' energy: -81.277 flat angles P-C4'-P energy: -45.511 tors. eta vs tors. theta energy: -88.668 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: 4, replica: 5 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -1150.567762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.567762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.567762 (E_RNA) where: Base-Base interactions energy: -742.073 where: short stacking energy: -358.363 Base-Backbone interact. energy: -1.187 local terms energy: -407.308558 where: bonds (distance) C4'-P energy: -79.701 bonds (distance) P-C4' energy: -74.976 flat angles C4'-P-C4' energy: -87.511 flat angles P-C4'-P energy: -59.206 tors. eta vs tors. theta energy: -105.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -1006.767685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.767685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.767685 (E_RNA) where: Base-Base interactions energy: -659.762 where: short stacking energy: -306.430 Base-Backbone interact. energy: -1.203 local terms energy: -345.803298 where: bonds (distance) C4'-P energy: -68.155 bonds (distance) P-C4' energy: -65.275 flat angles C4'-P-C4' energy: -81.691 flat angles P-C4'-P energy: -41.007 tors. eta vs tors. theta energy: -89.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -916.769070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.769070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.769070 (E_RNA) where: Base-Base interactions energy: -587.897 where: short stacking energy: -269.608 Base-Backbone interact. energy: -0.984 local terms energy: -327.888003 where: bonds (distance) C4'-P energy: -62.070 bonds (distance) P-C4' energy: -82.169 flat angles C4'-P-C4' energy: -72.274 flat angles P-C4'-P energy: -38.874 tors. eta vs tors. theta energy: -72.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -765.576347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.576347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.576347 (E_RNA) where: Base-Base interactions energy: -466.522 where: short stacking energy: -221.334 Base-Backbone interact. energy: 1.494 local terms energy: -300.549023 where: bonds (distance) C4'-P energy: -59.333 bonds (distance) P-C4' energy: -69.720 flat angles C4'-P-C4' energy: -74.519 flat angles P-C4'-P energy: -48.284 tors. eta vs tors. theta energy: -48.694 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: 66 Temperature: 1.250000 Total energy: -389.874516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.874516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.874516 (E_RNA) where: Base-Base interactions energy: -165.575 where: short stacking energy: -115.096 Base-Backbone interact. energy: -1.772 local terms energy: -222.527536 where: bonds (distance) C4'-P energy: -66.160 bonds (distance) P-C4' energy: -74.648 flat angles C4'-P-C4' energy: -54.923 flat angles P-C4'-P energy: -35.752 tors. eta vs tors. theta energy: 8.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -427.352347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.352347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.352347 (E_RNA) where: Base-Base interactions energy: -169.727 where: short stacking energy: -124.281 Base-Backbone interact. energy: -2.283 local terms energy: -255.341802 where: bonds (distance) C4'-P energy: -76.600 bonds (distance) P-C4' energy: -75.674 flat angles C4'-P-C4' energy: -61.317 flat angles P-C4'-P energy: -44.126 tors. eta vs tors. theta energy: 2.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -312.737943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.737943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.737943 (E_RNA) where: Base-Base interactions energy: -120.069 where: short stacking energy: -98.218 Base-Backbone interact. energy: -1.543 local terms energy: -191.126023 where: bonds (distance) C4'-P energy: -60.075 bonds (distance) P-C4' energy: -73.428 flat angles C4'-P-C4' energy: -60.664 flat angles P-C4'-P energy: -22.932 tors. eta vs tors. theta energy: 25.974 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: 3 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -1281.202695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.202695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.202695 (E_RNA) where: Base-Base interactions energy: -862.057 where: short stacking energy: -367.071 Base-Backbone interact. energy: -2.125 local terms energy: -417.020855 where: bonds (distance) C4'-P energy: -85.249 bonds (distance) P-C4' energy: -82.997 flat angles C4'-P-C4' energy: -90.033 flat angles P-C4'-P energy: -56.341 tors. eta vs tors. theta energy: -102.401 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: 9 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -1254.603220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.603220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.603220 (E_RNA) where: Base-Base interactions energy: -834.761 where: short stacking energy: -379.860 Base-Backbone interact. energy: -1.405 local terms energy: -418.437676 where: bonds (distance) C4'-P energy: -80.295 bonds (distance) P-C4' energy: -84.164 flat angles C4'-P-C4' energy: -82.961 flat angles P-C4'-P energy: -58.033 tors. eta vs tors. theta energy: -112.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -1127.072534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.072534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.072534 (E_RNA) where: Base-Base interactions energy: -750.189 where: short stacking energy: -327.888 Base-Backbone interact. energy: 1.188 local terms energy: -378.071105 where: bonds (distance) C4'-P energy: -87.644 bonds (distance) P-C4' energy: -79.685 flat angles C4'-P-C4' energy: -70.140 flat angles P-C4'-P energy: -56.350 tors. eta vs tors. theta energy: -84.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -1166.536910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.536910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.536910 (E_RNA) where: Base-Base interactions energy: -778.755 where: short stacking energy: -367.118 Base-Backbone interact. energy: -2.165 local terms energy: -385.616766 where: bonds (distance) C4'-P energy: -81.868 bonds (distance) P-C4' energy: -69.840 flat angles C4'-P-C4' energy: -81.724 flat angles P-C4'-P energy: -41.731 tors. eta vs tors. theta energy: -110.453 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: 8 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -991.003317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.003317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.003317 (E_RNA) where: Base-Base interactions energy: -647.577 where: short stacking energy: -288.440 Base-Backbone interact. energy: -1.541 local terms energy: -341.884660 where: bonds (distance) C4'-P energy: -80.247 bonds (distance) P-C4' energy: -73.687 flat angles C4'-P-C4' energy: -75.894 flat angles P-C4'-P energy: -41.516 tors. eta vs tors. theta energy: -70.541 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: 7 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -921.861889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.861889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.861889 (E_RNA) where: Base-Base interactions energy: -578.322 where: short stacking energy: -267.742 Base-Backbone interact. energy: -1.994 local terms energy: -341.546060 where: bonds (distance) C4'-P energy: -67.903 bonds (distance) P-C4' energy: -78.052 flat angles C4'-P-C4' energy: -76.662 flat angles P-C4'-P energy: -52.319 tors. eta vs tors. theta energy: -66.610 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: 7, replica: 6 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -688.702293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.702293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.702293 (E_RNA) where: Base-Base interactions energy: -409.307 where: short stacking energy: -211.296 Base-Backbone interact. energy: -0.475 local terms energy: -278.919978 where: bonds (distance) C4'-P energy: -61.431 bonds (distance) P-C4' energy: -72.316 flat angles C4'-P-C4' energy: -59.992 flat angles P-C4'-P energy: -41.801 tors. eta vs tors. theta energy: -43.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -459.755243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.755243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.755243 (E_RNA) where: Base-Base interactions energy: -216.888 where: short stacking energy: -127.952 Base-Backbone interact. energy: -1.526 local terms energy: -241.341238 where: bonds (distance) C4'-P energy: -70.756 bonds (distance) P-C4' energy: -73.231 flat angles C4'-P-C4' energy: -63.158 flat angles P-C4'-P energy: -27.498 tors. eta vs tors. theta energy: -6.698 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: 10 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -362.263491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.263491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.263491 (E_RNA) where: Base-Base interactions energy: -153.803 where: short stacking energy: -126.205 Base-Backbone interact. energy: -0.766 local terms energy: -207.694456 where: bonds (distance) C4'-P energy: -76.590 bonds (distance) P-C4' energy: -57.586 flat angles C4'-P-C4' energy: -59.449 flat angles P-C4'-P energy: -24.501 tors. eta vs tors. theta energy: 10.431 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: 4 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -309.471047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.471047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.471047 (E_RNA) where: Base-Base interactions energy: -99.744 where: short stacking energy: -80.480 Base-Backbone interact. energy: -0.634 local terms energy: -209.092735 where: bonds (distance) C4'-P energy: -59.390 bonds (distance) P-C4' energy: -67.610 flat angles C4'-P-C4' energy: -60.413 flat angles P-C4'-P energy: -35.241 tors. eta vs tors. theta energy: 13.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -1280.926037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.926037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.926037 (E_RNA) where: Base-Base interactions energy: -858.920 where: short stacking energy: -397.689 Base-Backbone interact. energy: -0.057 local terms energy: -421.948819 where: bonds (distance) C4'-P energy: -75.348 bonds (distance) P-C4' energy: -69.416 flat angles C4'-P-C4' energy: -96.419 flat angles P-C4'-P energy: -70.060 tors. eta vs tors. theta energy: -110.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -1273.913867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.913867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.913867 (E_RNA) where: Base-Base interactions energy: -881.336 where: short stacking energy: -379.466 Base-Backbone interact. energy: -0.918 local terms energy: -391.659907 where: bonds (distance) C4'-P energy: -79.307 bonds (distance) P-C4' energy: -75.185 flat angles C4'-P-C4' energy: -85.709 flat angles P-C4'-P energy: -54.131 tors. eta vs tors. theta energy: -97.326 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: 3, replica: 5 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -1242.481881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.481881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.481881 (E_RNA) where: Base-Base interactions energy: -822.366 where: short stacking energy: -372.963 Base-Backbone interact. energy: -0.658 local terms energy: -419.458402 where: bonds (distance) C4'-P energy: -84.456 bonds (distance) P-C4' energy: -90.463 flat angles C4'-P-C4' energy: -83.329 flat angles P-C4'-P energy: -45.470 tors. eta vs tors. theta energy: -115.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -1082.830412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.830412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.830412 (E_RNA) where: Base-Base interactions energy: -722.913 where: short stacking energy: -320.326 Base-Backbone interact. energy: -2.723 local terms energy: -357.193758 where: bonds (distance) C4'-P energy: -65.651 bonds (distance) P-C4' energy: -85.407 flat angles C4'-P-C4' energy: -77.818 flat angles P-C4'-P energy: -37.915 tors. eta vs tors. theta energy: -90.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -1027.963548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.963548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.963548 (E_RNA) where: Base-Base interactions energy: -676.411 where: short stacking energy: -295.632 Base-Backbone interact. energy: 4.244 local terms energy: -355.796862 where: bonds (distance) C4'-P energy: -72.031 bonds (distance) P-C4' energy: -74.343 flat angles C4'-P-C4' energy: -85.050 flat angles P-C4'-P energy: -46.697 tors. eta vs tors. theta energy: -77.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -928.756853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.756853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.756853 (E_RNA) where: Base-Base interactions energy: -600.750 where: short stacking energy: -286.298 Base-Backbone interact. energy: 2.620 local terms energy: -330.626429 where: bonds (distance) C4'-P energy: -63.299 bonds (distance) P-C4' energy: -73.594 flat angles C4'-P-C4' energy: -79.346 flat angles P-C4'-P energy: -44.525 tors. eta vs tors. theta energy: -69.862 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: 6 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -728.819227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.819227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.819227 (E_RNA) where: Base-Base interactions energy: -436.104 where: short stacking energy: -220.326 Base-Backbone interact. energy: 0.085 local terms energy: -292.799960 where: bonds (distance) C4'-P energy: -64.070 bonds (distance) P-C4' energy: -76.280 flat angles C4'-P-C4' energy: -76.511 flat angles P-C4'-P energy: -35.185 tors. eta vs tors. theta energy: -40.755 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: 2 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -525.204765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.204765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.204765 (E_RNA) where: Base-Base interactions energy: -272.473 where: short stacking energy: -182.227 Base-Backbone interact. energy: -0.606 local terms energy: -252.125163 where: bonds (distance) C4'-P energy: -66.640 bonds (distance) P-C4' energy: -62.664 flat angles C4'-P-C4' energy: -50.935 flat angles P-C4'-P energy: -40.480 tors. eta vs tors. theta energy: -31.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -376.004422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.004422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.004422 (E_RNA) where: Base-Base interactions energy: -128.536 where: short stacking energy: -109.118 Base-Backbone interact. energy: 1.044 local terms energy: -248.512408 where: bonds (distance) C4'-P energy: -56.813 bonds (distance) P-C4' energy: -74.943 flat angles C4'-P-C4' energy: -70.722 flat angles P-C4'-P energy: -37.127 tors. eta vs tors. theta energy: -8.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -337.677289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.677289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.677289 (E_RNA) where: Base-Base interactions energy: -118.216 where: short stacking energy: -97.103 Base-Backbone interact. energy: -1.144 local terms energy: -218.316514 where: bonds (distance) C4'-P energy: -68.084 bonds (distance) P-C4' energy: -85.846 flat angles C4'-P-C4' energy: -58.016 flat angles P-C4'-P energy: -25.296 tors. eta vs tors. theta energy: 18.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -1275.147530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.147530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.147530 (E_RNA) where: Base-Base interactions energy: -822.717 where: short stacking energy: -407.176 Base-Backbone interact. energy: 0.319 local terms energy: -452.749453 where: bonds (distance) C4'-P energy: -81.325 bonds (distance) P-C4' energy: -90.997 flat angles C4'-P-C4' energy: -97.644 flat angles P-C4'-P energy: -64.819 tors. eta vs tors. theta energy: -117.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -1244.336853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.336853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.336853 (E_RNA) where: Base-Base interactions energy: -829.637 where: short stacking energy: -384.761 Base-Backbone interact. energy: -0.766 local terms energy: -413.934161 where: bonds (distance) C4'-P energy: -80.307 bonds (distance) P-C4' energy: -78.867 flat angles C4'-P-C4' energy: -88.994 flat angles P-C4'-P energy: -46.985 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: 3 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -1212.018316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.018316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.018316 (E_RNA) where: Base-Base interactions energy: -824.923 where: short stacking energy: -337.862 Base-Backbone interact. energy: -2.391 local terms energy: -384.704329 where: bonds (distance) C4'-P energy: -69.373 bonds (distance) P-C4' energy: -78.497 flat angles C4'-P-C4' energy: -79.654 flat angles P-C4'-P energy: -56.717 tors. eta vs tors. theta energy: -100.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -1049.982626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.982626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.982626 (E_RNA) where: Base-Base interactions energy: -684.576 where: short stacking energy: -332.270 Base-Backbone interact. energy: -0.726 local terms energy: -364.681161 where: bonds (distance) C4'-P energy: -66.777 bonds (distance) P-C4' energy: -80.495 flat angles C4'-P-C4' energy: -74.471 flat angles P-C4'-P energy: -54.842 tors. eta vs tors. theta energy: -88.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -1018.225462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.225462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.225462 (E_RNA) where: Base-Base interactions energy: -683.668 where: short stacking energy: -316.880 Base-Backbone interact. energy: 0.046 local terms energy: -334.603984 where: bonds (distance) C4'-P energy: -63.058 bonds (distance) P-C4' energy: -62.652 flat angles C4'-P-C4' energy: -78.948 flat angles P-C4'-P energy: -49.518 tors. eta vs tors. theta energy: -80.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -926.694867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.694867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.694867 (E_RNA) where: Base-Base interactions energy: -581.174 where: short stacking energy: -263.324 Base-Backbone interact. energy: -1.190 local terms energy: -344.331005 where: bonds (distance) C4'-P energy: -69.510 bonds (distance) P-C4' energy: -77.765 flat angles C4'-P-C4' energy: -77.832 flat angles P-C4'-P energy: -48.902 tors. eta vs tors. theta energy: -70.322 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: 6 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -705.358185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.358185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.358185 (E_RNA) where: Base-Base interactions energy: -417.430 where: short stacking energy: -192.961 Base-Backbone interact. energy: -0.979 local terms energy: -286.948903 where: bonds (distance) C4'-P energy: -74.561 bonds (distance) P-C4' energy: -61.837 flat angles C4'-P-C4' energy: -67.976 flat angles P-C4'-P energy: -50.251 tors. eta vs tors. theta energy: -32.325 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: 8, replica: 2 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -510.080889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.080889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.080889 (E_RNA) where: Base-Base interactions energy: -271.155 where: short stacking energy: -139.857 Base-Backbone interact. energy: 3.621 local terms energy: -242.546219 where: bonds (distance) C4'-P energy: -62.369 bonds (distance) P-C4' energy: -67.514 flat angles C4'-P-C4' energy: -66.961 flat angles P-C4'-P energy: -48.010 tors. eta vs tors. theta energy: 2.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -361.985049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.985049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.985049 (E_RNA) where: Base-Base interactions energy: -131.617 where: short stacking energy: -92.373 Base-Backbone interact. energy: 4.278 local terms energy: -234.646677 where: bonds (distance) C4'-P energy: -72.053 bonds (distance) P-C4' energy: -78.117 flat angles C4'-P-C4' energy: -57.917 flat angles P-C4'-P energy: -32.428 tors. eta vs tors. theta energy: 5.868 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: 4 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -324.929030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.929030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.929030 (E_RNA) where: Base-Base interactions energy: -127.777 where: short stacking energy: -108.492 Base-Backbone interact. energy: -1.591 local terms energy: -195.561525 where: bonds (distance) C4'-P energy: -53.794 bonds (distance) P-C4' energy: -68.578 flat angles C4'-P-C4' energy: -50.533 flat angles P-C4'-P energy: -35.131 tors. eta vs tors. theta energy: 12.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -1269.700591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.700591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.700591 (E_RNA) where: Base-Base interactions energy: -841.265 where: short stacking energy: -400.813 Base-Backbone interact. energy: 0.169 local terms energy: -428.603827 where: bonds (distance) C4'-P energy: -89.209 bonds (distance) P-C4' energy: -84.122 flat angles C4'-P-C4' energy: -85.367 flat angles P-C4'-P energy: -52.844 tors. eta vs tors. theta energy: -117.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -1256.270305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.270305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.270305 (E_RNA) where: Base-Base interactions energy: -825.245 where: short stacking energy: -393.153 Base-Backbone interact. energy: 0.125 local terms energy: -431.149629 where: bonds (distance) C4'-P energy: -78.082 bonds (distance) P-C4' energy: -85.582 flat angles C4'-P-C4' energy: -88.705 flat angles P-C4'-P energy: -66.783 tors. eta vs tors. theta energy: -111.998 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: 70 Temperature: 1.000000 Total energy: -1204.745429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.745429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.745429 (E_RNA) where: Base-Base interactions energy: -819.365 where: short stacking energy: -340.232 Base-Backbone interact. energy: -3.345 local terms energy: -382.035081 where: bonds (distance) C4'-P energy: -70.016 bonds (distance) P-C4' energy: -82.266 flat angles C4'-P-C4' energy: -80.865 flat angles P-C4'-P energy: -56.502 tors. eta vs tors. theta energy: -92.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -1065.770821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.770821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.770821 (E_RNA) where: Base-Base interactions energy: -695.134 where: short stacking energy: -333.090 Base-Backbone interact. energy: -1.374 local terms energy: -369.262039 where: bonds (distance) C4'-P energy: -69.875 bonds (distance) P-C4' energy: -75.016 flat angles C4'-P-C4' energy: -84.506 flat angles P-C4'-P energy: -51.310 tors. eta vs tors. theta energy: -88.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -992.954973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.954973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.954973 (E_RNA) where: Base-Base interactions energy: -655.178 where: short stacking energy: -278.361 Base-Backbone interact. energy: 0.812 local terms energy: -338.589268 where: bonds (distance) C4'-P energy: -65.215 bonds (distance) P-C4' energy: -75.342 flat angles C4'-P-C4' energy: -82.093 flat angles P-C4'-P energy: -48.444 tors. eta vs tors. theta energy: -67.495 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: 7 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -921.575911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.575911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.575911 (E_RNA) where: Base-Base interactions energy: -570.357 where: short stacking energy: -252.877 Base-Backbone interact. energy: 3.259 local terms energy: -354.477756 where: bonds (distance) C4'-P energy: -71.783 bonds (distance) P-C4' energy: -83.775 flat angles C4'-P-C4' energy: -89.663 flat angles P-C4'-P energy: -45.510 tors. eta vs tors. theta energy: -63.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -704.352079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.352079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.352079 (E_RNA) where: Base-Base interactions energy: -411.726 where: short stacking energy: -225.952 Base-Backbone interact. energy: 0.213 local terms energy: -292.839212 where: bonds (distance) C4'-P energy: -73.298 bonds (distance) P-C4' energy: -75.943 flat angles C4'-P-C4' energy: -51.245 flat angles P-C4'-P energy: -39.741 tors. eta vs tors. theta energy: -52.613 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: 2 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -528.677690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.677690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.677690 (E_RNA) where: Base-Base interactions energy: -259.966 where: short stacking energy: -144.256 Base-Backbone interact. energy: 0.092 local terms energy: -268.803288 where: bonds (distance) C4'-P energy: -69.799 bonds (distance) P-C4' energy: -73.886 flat angles C4'-P-C4' energy: -65.318 flat angles P-C4'-P energy: -47.223 tors. eta vs tors. theta energy: -12.577 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: 10 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -401.589441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.589441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.589441 (E_RNA) where: Base-Base interactions energy: -171.572 where: short stacking energy: -121.060 Base-Backbone interact. energy: -2.374 local terms energy: -227.643215 where: bonds (distance) C4'-P energy: -77.732 bonds (distance) P-C4' energy: -67.187 flat angles C4'-P-C4' energy: -52.029 flat angles P-C4'-P energy: -35.355 tors. eta vs tors. theta energy: 4.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -337.098703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.098703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.098703 (E_RNA) where: Base-Base interactions energy: -106.702 where: short stacking energy: -85.564 Base-Backbone interact. energy: 3.263 local terms energy: -233.659865 where: bonds (distance) C4'-P energy: -64.708 bonds (distance) P-C4' energy: -75.727 flat angles C4'-P-C4' energy: -60.147 flat angles P-C4'-P energy: -34.424 tors. eta vs tors. theta energy: 1.346 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: 9 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -1292.812155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.812155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.812155 (E_RNA) where: Base-Base interactions energy: -851.564 where: short stacking energy: -426.334 Base-Backbone interact. energy: -1.543 local terms energy: -439.704705 where: bonds (distance) C4'-P energy: -81.475 bonds (distance) P-C4' energy: -74.477 flat angles C4'-P-C4' energy: -92.334 flat angles P-C4'-P energy: -57.671 tors. eta vs tors. theta energy: -133.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -1261.433822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.433822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.433822 (E_RNA) where: Base-Base interactions energy: -870.428 where: short stacking energy: -344.920 Base-Backbone interact. energy: -4.486 local terms energy: -386.519449 where: bonds (distance) C4'-P energy: -71.929 bonds (distance) P-C4' energy: -82.221 flat angles C4'-P-C4' energy: -72.288 flat angles P-C4'-P energy: -59.666 tors. eta vs tors. theta energy: -100.415 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: 3, replica: 5 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -1231.586984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.586984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.586984 (E_RNA) where: Base-Base interactions energy: -803.065 where: short stacking energy: -369.160 Base-Backbone interact. energy: -1.439 local terms energy: -427.083189 where: bonds (distance) C4'-P energy: -74.821 bonds (distance) P-C4' energy: -86.863 flat angles C4'-P-C4' energy: -88.215 flat angles P-C4'-P energy: -61.138 tors. eta vs tors. theta energy: -116.047 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: 4, replica: 1 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -1051.708310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.708310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.708310 (E_RNA) where: Base-Base interactions energy: -690.071 where: short stacking energy: -298.226 Base-Backbone interact. energy: -0.043 local terms energy: -361.594396 where: bonds (distance) C4'-P energy: -73.787 bonds (distance) P-C4' energy: -82.133 flat angles C4'-P-C4' energy: -84.018 flat angles P-C4'-P energy: -47.764 tors. eta vs tors. theta energy: -73.893 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: 8 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -1035.424521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.424521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.424521 (E_RNA) where: Base-Base interactions energy: -687.785 where: short stacking energy: -302.005 Base-Backbone interact. energy: 1.133 local terms energy: -348.772362 where: bonds (distance) C4'-P energy: -78.871 bonds (distance) P-C4' energy: -72.025 flat angles C4'-P-C4' energy: -81.488 flat angles P-C4'-P energy: -37.609 tors. eta vs tors. theta energy: -78.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -921.943240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.943240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.943240 (E_RNA) where: Base-Base interactions energy: -587.352 where: short stacking energy: -263.506 Base-Backbone interact. energy: -2.021 local terms energy: -332.570921 where: bonds (distance) C4'-P energy: -70.898 bonds (distance) P-C4' energy: -72.733 flat angles C4'-P-C4' energy: -71.649 flat angles P-C4'-P energy: -52.636 tors. eta vs tors. theta energy: -64.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -766.046151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.046151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.046151 (E_RNA) where: Base-Base interactions energy: -437.010 where: short stacking energy: -218.071 Base-Backbone interact. energy: 3.453 local terms energy: -332.488861 where: bonds (distance) C4'-P energy: -79.268 bonds (distance) P-C4' energy: -85.933 flat angles C4'-P-C4' energy: -77.427 flat angles P-C4'-P energy: -45.071 tors. eta vs tors. theta energy: -44.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -533.240111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.240111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.240111 (E_RNA) where: Base-Base interactions energy: -306.657 where: short stacking energy: -177.796 Base-Backbone interact. energy: 1.756 local terms energy: -228.339334 where: bonds (distance) C4'-P energy: -65.361 bonds (distance) P-C4' energy: -65.337 flat angles C4'-P-C4' energy: -59.570 flat angles P-C4'-P energy: -16.001 tors. eta vs tors. theta energy: -22.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -340.036654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.036654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.036654 (E_RNA) where: Base-Base interactions energy: -103.310 where: short stacking energy: -100.539 Base-Backbone interact. energy: 1.763 local terms energy: -238.489677 where: bonds (distance) C4'-P energy: -61.811 bonds (distance) P-C4' energy: -80.444 flat angles C4'-P-C4' energy: -61.305 flat angles P-C4'-P energy: -38.570 tors. eta vs tors. theta energy: 3.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -349.273438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.273438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.273438 (E_RNA) where: Base-Base interactions energy: -115.561 where: short stacking energy: -93.677 Base-Backbone interact. energy: 1.875 local terms energy: -235.587569 where: bonds (distance) C4'-P energy: -73.036 bonds (distance) P-C4' energy: -68.802 flat angles C4'-P-C4' energy: -62.177 flat angles P-C4'-P energy: -29.780 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: 1, replica: 9 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -1317.104030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.104030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.104030 (E_RNA) where: Base-Base interactions energy: -853.028 where: short stacking energy: -412.760 Base-Backbone interact. energy: -2.216 local terms energy: -461.860639 where: bonds (distance) C4'-P energy: -84.432 bonds (distance) P-C4' energy: -77.810 flat angles C4'-P-C4' energy: -95.464 flat angles P-C4'-P energy: -62.684 tors. eta vs tors. theta energy: -141.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -1253.470443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.470443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.470443 (E_RNA) where: Base-Base interactions energy: -856.081 where: short stacking energy: -361.585 Base-Backbone interact. energy: -0.846 local terms energy: -396.543289 where: bonds (distance) C4'-P energy: -74.613 bonds (distance) P-C4' energy: -69.439 flat angles C4'-P-C4' energy: -90.665 flat angles P-C4'-P energy: -59.410 tors. eta vs tors. theta energy: -102.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -1270.221738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.221738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.221738 (E_RNA) where: Base-Base interactions energy: -842.933 where: short stacking energy: -381.209 Base-Backbone interact. energy: -0.509 local terms energy: -426.779568 where: bonds (distance) C4'-P energy: -78.910 bonds (distance) P-C4' energy: -78.164 flat angles C4'-P-C4' energy: -96.570 flat angles P-C4'-P energy: -56.454 tors. eta vs tors. theta energy: -116.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -1092.621931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.621931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.621931 (E_RNA) where: Base-Base interactions energy: -734.384 where: short stacking energy: -321.341 Base-Backbone interact. energy: 2.804 local terms energy: -361.041592 where: bonds (distance) C4'-P energy: -65.100 bonds (distance) P-C4' energy: -82.618 flat angles C4'-P-C4' energy: -83.585 flat angles P-C4'-P energy: -44.771 tors. eta vs tors. theta energy: -84.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -1026.757018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.757018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.757018 (E_RNA) where: Base-Base interactions energy: -683.263 where: short stacking energy: -309.646 Base-Backbone interact. energy: 0.632 local terms energy: -344.125490 where: bonds (distance) C4'-P energy: -62.622 bonds (distance) P-C4' energy: -76.732 flat angles C4'-P-C4' energy: -72.725 flat angles P-C4'-P energy: -51.799 tors. eta vs tors. theta energy: -80.247 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: 7 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -918.234080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.234080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.234080 (E_RNA) where: Base-Base interactions energy: -596.677 where: short stacking energy: -269.066 Base-Backbone interact. energy: -0.400 local terms energy: -321.157056 where: bonds (distance) C4'-P energy: -64.843 bonds (distance) P-C4' energy: -69.281 flat angles C4'-P-C4' energy: -69.912 flat angles P-C4'-P energy: -52.369 tors. eta vs tors. theta energy: -64.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -775.705558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.705558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.705558 (E_RNA) where: Base-Base interactions energy: -498.877 where: short stacking energy: -212.841 Base-Backbone interact. energy: 0.189 local terms energy: -277.017540 where: bonds (distance) C4'-P energy: -65.742 bonds (distance) P-C4' energy: -64.369 flat angles C4'-P-C4' energy: -64.561 flat angles P-C4'-P energy: -38.209 tors. eta vs tors. theta energy: -44.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -577.007190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.007190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.007190 (E_RNA) where: Base-Base interactions energy: -314.271 where: short stacking energy: -197.857 Base-Backbone interact. energy: -0.675 local terms energy: -262.061458 where: bonds (distance) C4'-P energy: -62.301 bonds (distance) P-C4' energy: -78.331 flat angles C4'-P-C4' energy: -50.836 flat angles P-C4'-P energy: -37.004 tors. eta vs tors. theta energy: -33.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -349.800904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.800904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.800904 (E_RNA) where: Base-Base interactions energy: -126.621 where: short stacking energy: -105.970 Base-Backbone interact. energy: -0.317 local terms energy: -222.862144 where: bonds (distance) C4'-P energy: -64.417 bonds (distance) P-C4' energy: -64.270 flat angles C4'-P-C4' energy: -67.392 flat angles P-C4'-P energy: -34.331 tors. eta vs tors. theta energy: 7.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -333.790158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.790158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.790158 (E_RNA) where: Base-Base interactions energy: -100.068 where: short stacking energy: -96.685 Base-Backbone interact. energy: -2.675 local terms energy: -231.046793 where: bonds (distance) C4'-P energy: -68.412 bonds (distance) P-C4' energy: -72.441 flat angles C4'-P-C4' energy: -53.594 flat angles P-C4'-P energy: -35.586 tors. eta vs tors. theta energy: -1.015 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: 9 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -1294.016480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.016480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.016480 (E_RNA) where: Base-Base interactions energy: -833.038 where: short stacking energy: -394.576 Base-Backbone interact. energy: 0.062 local terms energy: -461.040700 where: bonds (distance) C4'-P energy: -94.522 bonds (distance) P-C4' energy: -89.217 flat angles C4'-P-C4' energy: -94.660 flat angles P-C4'-P energy: -52.831 tors. eta vs tors. theta energy: -129.810 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: 5 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -1275.738294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.738294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.738294 (E_RNA) where: Base-Base interactions energy: -844.867 where: short stacking energy: -408.472 Base-Backbone interact. energy: -1.122 local terms energy: -429.749015 where: bonds (distance) C4'-P energy: -68.723 bonds (distance) P-C4' energy: -82.894 flat angles C4'-P-C4' energy: -99.777 flat angles P-C4'-P energy: -57.259 tors. eta vs tors. theta energy: -121.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -1227.020339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.020339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.020339 (E_RNA) where: Base-Base interactions energy: -837.028 where: short stacking energy: -344.591 Base-Backbone interact. energy: -3.070 local terms energy: -386.922495 where: bonds (distance) C4'-P energy: -76.233 bonds (distance) P-C4' energy: -79.102 flat angles C4'-P-C4' energy: -75.422 flat angles P-C4'-P energy: -56.870 tors. eta vs tors. theta energy: -99.296 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: 1 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -1147.732116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.732116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.732116 (E_RNA) where: Base-Base interactions energy: -774.417 where: short stacking energy: -352.924 Base-Backbone interact. energy: 1.562 local terms energy: -374.876832 where: bonds (distance) C4'-P energy: -74.673 bonds (distance) P-C4' energy: -76.448 flat angles C4'-P-C4' energy: -80.802 flat angles P-C4'-P energy: -58.673 tors. eta vs tors. theta energy: -84.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -1043.907254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.907254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.907254 (E_RNA) where: Base-Base interactions energy: -668.807 where: short stacking energy: -285.839 Base-Backbone interact. energy: -1.840 local terms energy: -373.260854 where: bonds (distance) C4'-P energy: -87.127 bonds (distance) P-C4' energy: -77.745 flat angles C4'-P-C4' energy: -76.480 flat angles P-C4'-P energy: -56.539 tors. eta vs tors. theta energy: -75.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -935.238505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.238505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.238505 (E_RNA) where: Base-Base interactions energy: -592.275 where: short stacking energy: -272.797 Base-Backbone interact. energy: -1.328 local terms energy: -341.635122 where: bonds (distance) C4'-P energy: -74.215 bonds (distance) P-C4' energy: -80.739 flat angles C4'-P-C4' energy: -79.124 flat angles P-C4'-P energy: -35.145 tors. eta vs tors. theta energy: -72.411 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: 6 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -752.080115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.080115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.080115 (E_RNA) where: Base-Base interactions energy: -473.314 where: short stacking energy: -204.534 Base-Backbone interact. energy: -1.495 local terms energy: -277.270414 where: bonds (distance) C4'-P energy: -44.027 bonds (distance) P-C4' energy: -75.051 flat angles C4'-P-C4' energy: -74.776 flat angles P-C4'-P energy: -46.406 tors. eta vs tors. theta energy: -37.010 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: 8, replica: 2 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -550.719695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.719695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.719695 (E_RNA) where: Base-Base interactions energy: -275.601 where: short stacking energy: -136.246 Base-Backbone interact. energy: -1.741 local terms energy: -273.378410 where: bonds (distance) C4'-P energy: -72.031 bonds (distance) P-C4' energy: -77.614 flat angles C4'-P-C4' energy: -64.109 flat angles P-C4'-P energy: -43.741 tors. eta vs tors. theta energy: -15.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -357.670959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.670959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.670959 (E_RNA) where: Base-Base interactions energy: -122.366 where: short stacking energy: -104.786 Base-Backbone interact. energy: -0.252 local terms energy: -235.053341 where: bonds (distance) C4'-P energy: -73.538 bonds (distance) P-C4' energy: -66.067 flat angles C4'-P-C4' energy: -66.349 flat angles P-C4'-P energy: -44.103 tors. eta vs tors. theta energy: 15.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -336.620797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.620797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.620797 (E_RNA) where: Base-Base interactions energy: -107.416 where: short stacking energy: -87.997 Base-Backbone interact. energy: -1.272 local terms energy: -227.932405 where: bonds (distance) C4'-P energy: -67.384 bonds (distance) P-C4' energy: -74.124 flat angles C4'-P-C4' energy: -60.094 flat angles P-C4'-P energy: -33.684 tors. eta vs tors. theta energy: 7.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -1305.607152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.607152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.607152 (E_RNA) where: Base-Base interactions energy: -874.569 where: short stacking energy: -392.462 Base-Backbone interact. energy: -0.153 local terms energy: -430.885977 where: bonds (distance) C4'-P energy: -77.907 bonds (distance) P-C4' energy: -78.200 flat angles C4'-P-C4' energy: -91.327 flat angles P-C4'-P energy: -58.873 tors. eta vs tors. theta energy: -124.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -1273.138225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.138225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.138225 (E_RNA) where: Base-Base interactions energy: -862.074 where: short stacking energy: -413.805 Base-Backbone interact. energy: 0.120 local terms energy: -411.184509 where: bonds (distance) C4'-P energy: -78.130 bonds (distance) P-C4' energy: -68.237 flat angles C4'-P-C4' energy: -84.259 flat angles P-C4'-P energy: -58.763 tors. eta vs tors. theta energy: -121.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -1202.742378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.742378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.742378 (E_RNA) where: Base-Base interactions energy: -829.814 where: short stacking energy: -344.097 Base-Backbone interact. energy: 1.254 local terms energy: -374.182578 where: bonds (distance) C4'-P energy: -70.145 bonds (distance) P-C4' energy: -82.005 flat angles C4'-P-C4' energy: -79.827 flat angles P-C4'-P energy: -51.642 tors. eta vs tors. theta energy: -90.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -1138.679067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.679067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.679067 (E_RNA) where: Base-Base interactions energy: -762.389 where: short stacking energy: -328.001 Base-Backbone interact. energy: -1.154 local terms energy: -375.136103 where: bonds (distance) C4'-P energy: -69.977 bonds (distance) P-C4' energy: -81.484 flat angles C4'-P-C4' energy: -80.947 flat angles P-C4'-P energy: -50.057 tors. eta vs tors. theta energy: -92.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -1050.727476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.727476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.727476 (E_RNA) where: Base-Base interactions energy: -682.624 where: short stacking energy: -269.155 Base-Backbone interact. energy: 0.901 local terms energy: -369.004930 where: bonds (distance) C4'-P energy: -78.697 bonds (distance) P-C4' energy: -74.173 flat angles C4'-P-C4' energy: -85.095 flat angles P-C4'-P energy: -53.579 tors. eta vs tors. theta energy: -77.460 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: 74 Temperature: 1.150000 Total energy: -968.869815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.869815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.869815 (E_RNA) where: Base-Base interactions energy: -598.280 where: short stacking energy: -292.898 Base-Backbone interact. energy: -2.333 local terms energy: -368.257055 where: bonds (distance) C4'-P energy: -67.528 bonds (distance) P-C4' energy: -83.595 flat angles C4'-P-C4' energy: -83.118 flat angles P-C4'-P energy: -47.200 tors. eta vs tors. theta energy: -86.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -723.004854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.004854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.004854 (E_RNA) where: Base-Base interactions energy: -435.196 where: short stacking energy: -205.357 Base-Backbone interact. energy: 0.657 local terms energy: -288.465227 where: bonds (distance) C4'-P energy: -80.524 bonds (distance) P-C4' energy: -80.587 flat angles C4'-P-C4' energy: -53.885 flat angles P-C4'-P energy: -27.862 tors. eta vs tors. theta energy: -45.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -574.074956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.074956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.074956 (E_RNA) where: Base-Base interactions energy: -325.982 where: short stacking energy: -159.919 Base-Backbone interact. energy: -2.068 local terms energy: -246.025569 where: bonds (distance) C4'-P energy: -55.422 bonds (distance) P-C4' energy: -76.727 flat angles C4'-P-C4' energy: -61.747 flat angles P-C4'-P energy: -43.486 tors. eta vs tors. theta energy: -8.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -341.584648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.584648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.584648 (E_RNA) where: Base-Base interactions energy: -123.136 where: short stacking energy: -114.240 Base-Backbone interact. energy: 3.046 local terms energy: -221.495245 where: bonds (distance) C4'-P energy: -59.090 bonds (distance) P-C4' energy: -79.000 flat angles C4'-P-C4' energy: -58.787 flat angles P-C4'-P energy: -29.737 tors. eta vs tors. theta energy: 5.119 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: 10 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -306.971797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.971797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.971797 (E_RNA) where: Base-Base interactions energy: -91.686 where: short stacking energy: -77.943 Base-Backbone interact. energy: -1.216 local terms energy: -214.069734 where: bonds (distance) C4'-P energy: -66.270 bonds (distance) P-C4' energy: -79.899 flat angles C4'-P-C4' energy: -61.238 flat angles P-C4'-P energy: -34.680 tors. eta vs tors. theta energy: 28.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -1327.672165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.672165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.672165 (E_RNA) where: Base-Base interactions energy: -888.022 where: short stacking energy: -419.525 Base-Backbone interact. energy: -3.092 local terms energy: -436.558413 where: bonds (distance) C4'-P energy: -67.737 bonds (distance) P-C4' energy: -78.039 flat angles C4'-P-C4' energy: -97.419 flat angles P-C4'-P energy: -64.599 tors. eta vs tors. theta energy: -128.765 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: 2, replica: 5 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -1275.717047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.717047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.717047 (E_RNA) where: Base-Base interactions energy: -833.478 where: short stacking energy: -385.204 Base-Backbone interact. energy: -0.943 local terms energy: -441.295303 where: bonds (distance) C4'-P energy: -86.421 bonds (distance) P-C4' energy: -80.496 flat angles C4'-P-C4' energy: -84.283 flat angles P-C4'-P energy: -67.882 tors. eta vs tors. theta energy: -122.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -1220.181596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.181596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.181596 (E_RNA) where: Base-Base interactions energy: -845.183 where: short stacking energy: -341.484 Base-Backbone interact. energy: -2.296 local terms energy: -372.703279 where: bonds (distance) C4'-P energy: -67.611 bonds (distance) P-C4' energy: -68.890 flat angles C4'-P-C4' energy: -89.132 flat angles P-C4'-P energy: -55.723 tors. eta vs tors. theta energy: -91.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -1116.461385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.461385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.461385 (E_RNA) where: Base-Base interactions energy: -744.133 where: short stacking energy: -327.395 Base-Backbone interact. energy: -0.934 local terms energy: -371.394228 where: bonds (distance) C4'-P energy: -69.817 bonds (distance) P-C4' energy: -75.699 flat angles C4'-P-C4' energy: -85.850 flat angles P-C4'-P energy: -53.623 tors. eta vs tors. theta energy: -86.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -1069.461503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.461503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.461503 (E_RNA) where: Base-Base interactions energy: -698.105 where: short stacking energy: -290.520 Base-Backbone interact. energy: -1.507 local terms energy: -369.849277 where: bonds (distance) C4'-P energy: -67.893 bonds (distance) P-C4' energy: -80.613 flat angles C4'-P-C4' energy: -78.637 flat angles P-C4'-P energy: -62.791 tors. eta vs tors. theta energy: -79.915 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: 7 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -949.441982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.441982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.441982 (E_RNA) where: Base-Base interactions energy: -603.019 where: short stacking energy: -253.047 Base-Backbone interact. energy: -1.659 local terms energy: -344.763852 where: bonds (distance) C4'-P energy: -78.275 bonds (distance) P-C4' energy: -73.715 flat angles C4'-P-C4' energy: -62.349 flat angles P-C4'-P energy: -62.634 tors. eta vs tors. theta energy: -67.791 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: 7, replica: 6 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -723.766679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.766679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.766679 (E_RNA) where: Base-Base interactions energy: -420.420 where: short stacking energy: -213.073 Base-Backbone interact. energy: 1.339 local terms energy: -304.685577 where: bonds (distance) C4'-P energy: -66.730 bonds (distance) P-C4' energy: -65.617 flat angles C4'-P-C4' energy: -74.360 flat angles P-C4'-P energy: -40.429 tors. eta vs tors. theta energy: -57.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -536.840593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.840593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.840593 (E_RNA) where: Base-Base interactions energy: -289.457 where: short stacking energy: -169.263 Base-Backbone interact. energy: -2.148 local terms energy: -245.236199 where: bonds (distance) C4'-P energy: -74.410 bonds (distance) P-C4' energy: -54.827 flat angles C4'-P-C4' energy: -65.135 flat angles P-C4'-P energy: -29.626 tors. eta vs tors. theta energy: -21.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -348.050264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.050264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.050264 (E_RNA) where: Base-Base interactions energy: -125.050 where: short stacking energy: -97.623 Base-Backbone interact. energy: 1.288 local terms energy: -224.288117 where: bonds (distance) C4'-P energy: -64.791 bonds (distance) P-C4' energy: -77.857 flat angles C4'-P-C4' energy: -59.094 flat angles P-C4'-P energy: -36.165 tors. eta vs tors. theta energy: 13.619 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: 10, replica: 10 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -316.784166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.784166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.784166 (E_RNA) where: Base-Base interactions energy: -103.459 where: short stacking energy: -74.265 Base-Backbone interact. energy: 0.610 local terms energy: -213.934764 where: bonds (distance) C4'-P energy: -61.058 bonds (distance) P-C4' energy: -70.054 flat angles C4'-P-C4' energy: -67.332 flat angles P-C4'-P energy: -28.024 tors. eta vs tors. theta energy: 12.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -1314.482629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.482629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.482629 (E_RNA) where: Base-Base interactions energy: -883.587 where: short stacking energy: -403.760 Base-Backbone interact. energy: -0.351 local terms energy: -430.544113 where: bonds (distance) C4'-P energy: -75.649 bonds (distance) P-C4' energy: -82.882 flat angles C4'-P-C4' energy: -97.612 flat angles P-C4'-P energy: -62.605 tors. eta vs tors. theta energy: -111.797 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: 5 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -1257.277262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.277262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.277262 (E_RNA) where: Base-Base interactions energy: -827.188 where: short stacking energy: -393.539 Base-Backbone interact. energy: -0.658 local terms energy: -429.430801 where: bonds (distance) C4'-P energy: -80.741 bonds (distance) P-C4' energy: -87.264 flat angles C4'-P-C4' energy: -89.944 flat angles P-C4'-P energy: -58.960 tors. eta vs tors. theta energy: -112.522 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: 76 Temperature: 1.000000 Total energy: -1251.992738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.992738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.992738 (E_RNA) where: Base-Base interactions energy: -849.517 where: short stacking energy: -364.594 Base-Backbone interact. energy: -1.222 local terms energy: -401.252986 where: bonds (distance) C4'-P energy: -73.727 bonds (distance) P-C4' energy: -77.876 flat angles C4'-P-C4' energy: -85.177 flat angles P-C4'-P energy: -56.952 tors. eta vs tors. theta energy: -107.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -1147.808521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.808521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.808521 (E_RNA) where: Base-Base interactions energy: -752.844 where: short stacking energy: -322.159 Base-Backbone interact. energy: -1.040 local terms energy: -393.925453 where: bonds (distance) C4'-P energy: -72.791 bonds (distance) P-C4' energy: -88.895 flat angles C4'-P-C4' energy: -83.068 flat angles P-C4'-P energy: -50.548 tors. eta vs tors. theta energy: -98.625 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: 8 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -1098.069730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.069730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.069730 (E_RNA) where: Base-Base interactions energy: -738.007 where: short stacking energy: -318.995 Base-Backbone interact. energy: -2.859 local terms energy: -357.203265 where: bonds (distance) C4'-P energy: -52.234 bonds (distance) P-C4' energy: -78.705 flat angles C4'-P-C4' energy: -87.416 flat angles P-C4'-P energy: -44.140 tors. eta vs tors. theta energy: -94.708 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: 6, replica: 7 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -938.913651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.913651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.913651 (E_RNA) where: Base-Base interactions energy: -600.669 where: short stacking energy: -289.489 Base-Backbone interact. energy: -0.220 local terms energy: -338.025158 where: bonds (distance) C4'-P energy: -58.030 bonds (distance) P-C4' energy: -66.828 flat angles C4'-P-C4' energy: -84.070 flat angles P-C4'-P energy: -59.831 tors. eta vs tors. theta energy: -69.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -788.576845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.576845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.576845 (E_RNA) where: Base-Base interactions energy: -459.270 where: short stacking energy: -237.379 Base-Backbone interact. energy: -3.080 local terms energy: -326.226477 where: bonds (distance) C4'-P energy: -67.111 bonds (distance) P-C4' energy: -74.981 flat angles C4'-P-C4' energy: -84.256 flat angles P-C4'-P energy: -55.527 tors. eta vs tors. theta energy: -44.351 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: 2 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -548.720481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.720481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.720481 (E_RNA) where: Base-Base interactions energy: -291.130 where: short stacking energy: -149.545 Base-Backbone interact. energy: -1.090 local terms energy: -256.500622 where: bonds (distance) C4'-P energy: -65.198 bonds (distance) P-C4' energy: -77.114 flat angles C4'-P-C4' energy: -57.767 flat angles P-C4'-P energy: -37.673 tors. eta vs tors. theta energy: -18.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -362.033120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.033120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.033120 (E_RNA) where: Base-Base interactions energy: -135.197 where: short stacking energy: -112.287 Base-Backbone interact. energy: -0.830 local terms energy: -226.005775 where: bonds (distance) C4'-P energy: -67.228 bonds (distance) P-C4' energy: -68.716 flat angles C4'-P-C4' energy: -61.066 flat angles P-C4'-P energy: -46.431 tors. eta vs tors. theta energy: 17.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -327.090830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.090830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.090830 (E_RNA) where: Base-Base interactions energy: -98.192 where: short stacking energy: -80.197 Base-Backbone interact. energy: 1.908 local terms energy: -230.806989 where: bonds (distance) C4'-P energy: -74.785 bonds (distance) P-C4' energy: -68.887 flat angles C4'-P-C4' energy: -60.766 flat angles P-C4'-P energy: -38.164 tors. eta vs tors. theta energy: 11.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -1336.135161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.135161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.135161 (E_RNA) where: Base-Base interactions energy: -897.992 where: short stacking energy: -407.836 Base-Backbone interact. energy: -0.103 local terms energy: -438.039899 where: bonds (distance) C4'-P energy: -71.986 bonds (distance) P-C4' energy: -85.420 flat angles C4'-P-C4' energy: -95.088 flat angles P-C4'-P energy: -57.929 tors. eta vs tors. theta energy: -127.618 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: 5 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -1285.525718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.525718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.525718 (E_RNA) where: Base-Base interactions energy: -847.839 where: short stacking energy: -416.089 Base-Backbone interact. energy: -1.072 local terms energy: -436.614542 where: bonds (distance) C4'-P energy: -76.886 bonds (distance) P-C4' energy: -82.734 flat angles C4'-P-C4' energy: -90.301 flat angles P-C4'-P energy: -63.590 tors. eta vs tors. theta energy: -123.104 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: 3 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -1217.024401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.024401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.024401 (E_RNA) where: Base-Base interactions energy: -836.763 where: short stacking energy: -326.015 Base-Backbone interact. energy: 2.074 local terms energy: -382.335226 where: bonds (distance) C4'-P energy: -64.593 bonds (distance) P-C4' energy: -80.243 flat angles C4'-P-C4' energy: -82.010 flat angles P-C4'-P energy: -59.685 tors. eta vs tors. theta energy: -95.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -1162.969019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.969019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.969019 (E_RNA) where: Base-Base interactions energy: -765.480 where: short stacking energy: -321.831 Base-Backbone interact. energy: -1.887 local terms energy: -395.602115 where: bonds (distance) C4'-P energy: -76.643 bonds (distance) P-C4' energy: -84.514 flat angles C4'-P-C4' energy: -83.951 flat angles P-C4'-P energy: -56.972 tors. eta vs tors. theta energy: -93.523 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: 8 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -1068.029731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.029731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.029731 (E_RNA) where: Base-Base interactions energy: -732.452 where: short stacking energy: -301.592 Base-Backbone interact. energy: -1.443 local terms energy: -334.134375 where: bonds (distance) C4'-P energy: -59.535 bonds (distance) P-C4' energy: -55.744 flat angles C4'-P-C4' energy: -80.849 flat angles P-C4'-P energy: -53.036 tors. eta vs tors. theta energy: -84.970 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: 6, replica: 7 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -906.317571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.317571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.317571 (E_RNA) where: Base-Base interactions energy: -581.157 where: short stacking energy: -284.632 Base-Backbone interact. energy: 0.124 local terms energy: -325.285233 where: bonds (distance) C4'-P energy: -58.044 bonds (distance) P-C4' energy: -72.303 flat angles C4'-P-C4' energy: -82.049 flat angles P-C4'-P energy: -38.843 tors. eta vs tors. theta energy: -74.046 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: 6 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -739.659733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.659733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.659733 (E_RNA) where: Base-Base interactions energy: -438.638 where: short stacking energy: -219.465 Base-Backbone interact. energy: -2.294 local terms energy: -298.727873 where: bonds (distance) C4'-P energy: -69.206 bonds (distance) P-C4' energy: -67.507 flat angles C4'-P-C4' energy: -70.421 flat angles P-C4'-P energy: -41.433 tors. eta vs tors. theta energy: -50.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -582.787346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.787346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.787346 (E_RNA) where: Base-Base interactions energy: -338.938 where: short stacking energy: -183.163 Base-Backbone interact. energy: -3.247 local terms energy: -240.602097 where: bonds (distance) C4'-P energy: -65.083 bonds (distance) P-C4' energy: -63.445 flat angles C4'-P-C4' energy: -74.305 flat angles P-C4'-P energy: -14.140 tors. eta vs tors. theta energy: -23.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -338.962957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.962957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.962957 (E_RNA) where: Base-Base interactions energy: -112.193 where: short stacking energy: -90.365 Base-Backbone interact. energy: -1.351 local terms energy: -225.418086 where: bonds (distance) C4'-P energy: -60.217 bonds (distance) P-C4' energy: -81.187 flat angles C4'-P-C4' energy: -55.250 flat angles P-C4'-P energy: -43.107 tors. eta vs tors. theta energy: 14.342 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: 10, replica: 4 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -335.738082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.738082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.738082 (E_RNA) where: Base-Base interactions energy: -128.399 where: short stacking energy: -102.488 Base-Backbone interact. energy: 1.625 local terms energy: -208.964468 where: bonds (distance) C4'-P energy: -70.639 bonds (distance) P-C4' energy: -65.184 flat angles C4'-P-C4' energy: -52.883 flat angles P-C4'-P energy: -34.338 tors. eta vs tors. theta energy: 14.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -1315.594720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.594720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.594720 (E_RNA) where: Base-Base interactions energy: -876.170 where: short stacking energy: -390.319 Base-Backbone interact. energy: -0.436 local terms energy: -438.988296 where: bonds (distance) C4'-P energy: -79.723 bonds (distance) P-C4' energy: -86.445 flat angles C4'-P-C4' energy: -94.050 flat angles P-C4'-P energy: -56.779 tors. eta vs tors. theta energy: -121.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -1271.429348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.429348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.429348 (E_RNA) where: Base-Base interactions energy: -813.635 where: short stacking energy: -407.643 Base-Backbone interact. energy: -0.358 local terms energy: -457.436286 where: bonds (distance) C4'-P energy: -73.077 bonds (distance) P-C4' energy: -89.512 flat angles C4'-P-C4' energy: -102.601 flat angles P-C4'-P energy: -62.911 tors. eta vs tors. theta energy: -129.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -1212.311279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.311279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.311279 (E_RNA) where: Base-Base interactions energy: -820.588 where: short stacking energy: -361.992 Base-Backbone interact. energy: -1.750 local terms energy: -389.973181 where: bonds (distance) C4'-P energy: -75.547 bonds (distance) P-C4' energy: -68.318 flat angles C4'-P-C4' energy: -87.109 flat angles P-C4'-P energy: -62.843 tors. eta vs tors. theta energy: -96.155 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: 3 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -1206.596183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.596183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.596183 (E_RNA) where: Base-Base interactions energy: -824.886 where: short stacking energy: -344.873 Base-Backbone interact. energy: -2.551 local terms energy: -379.158715 where: bonds (distance) C4'-P energy: -74.672 bonds (distance) P-C4' energy: -74.106 flat angles C4'-P-C4' energy: -84.980 flat angles P-C4'-P energy: -48.922 tors. eta vs tors. theta energy: -96.479 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: 8 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -1082.533452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.533452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.533452 (E_RNA) where: Base-Base interactions energy: -728.602 where: short stacking energy: -289.545 Base-Backbone interact. energy: -0.301 local terms energy: -353.630243 where: bonds (distance) C4'-P energy: -67.925 bonds (distance) P-C4' energy: -76.208 flat angles C4'-P-C4' energy: -79.706 flat angles P-C4'-P energy: -54.441 tors. eta vs tors. theta energy: -75.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -948.759240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.759240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.759240 (E_RNA) where: Base-Base interactions energy: -636.039 where: short stacking energy: -298.173 Base-Backbone interact. energy: 1.689 local terms energy: -314.409476 where: bonds (distance) C4'-P energy: -75.271 bonds (distance) P-C4' energy: -54.394 flat angles C4'-P-C4' energy: -72.826 flat angles P-C4'-P energy: -46.212 tors. eta vs tors. theta energy: -65.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -812.554813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.554813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.554813 (E_RNA) where: Base-Base interactions energy: -504.407 where: short stacking energy: -211.911 Base-Backbone interact. energy: 0.452 local terms energy: -308.599304 where: bonds (distance) C4'-P energy: -60.513 bonds (distance) P-C4' energy: -76.667 flat angles C4'-P-C4' energy: -79.956 flat angles P-C4'-P energy: -43.418 tors. eta vs tors. theta energy: -48.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -623.662134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.662134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.662134 (E_RNA) where: Base-Base interactions energy: -357.485 where: short stacking energy: -164.968 Base-Backbone interact. energy: 4.896 local terms energy: -271.072584 where: bonds (distance) C4'-P energy: -67.063 bonds (distance) P-C4' energy: -69.052 flat angles C4'-P-C4' energy: -65.089 flat angles P-C4'-P energy: -44.934 tors. eta vs tors. theta energy: -24.936 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: 4 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -354.114766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.114766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.114766 (E_RNA) where: Base-Base interactions energy: -132.664 where: short stacking energy: -103.942 Base-Backbone interact. energy: 2.767 local terms energy: -224.218104 where: bonds (distance) C4'-P energy: -62.648 bonds (distance) P-C4' energy: -81.239 flat angles C4'-P-C4' energy: -58.790 flat angles P-C4'-P energy: -23.842 tors. eta vs tors. theta energy: 2.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -348.824525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.824525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.824525 (E_RNA) where: Base-Base interactions energy: -137.705 where: short stacking energy: -102.119 Base-Backbone interact. energy: -0.707 local terms energy: -210.412507 where: bonds (distance) C4'-P energy: -58.353 bonds (distance) P-C4' energy: -77.984 flat angles C4'-P-C4' energy: -57.855 flat angles P-C4'-P energy: -23.180 tors. eta vs tors. theta energy: 6.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -1319.368035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.368035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.368035 (E_RNA) where: Base-Base interactions energy: -892.374 where: short stacking energy: -396.769 Base-Backbone interact. energy: 2.177 local terms energy: -429.171397 where: bonds (distance) C4'-P energy: -80.718 bonds (distance) P-C4' energy: -83.947 flat angles C4'-P-C4' energy: -89.175 flat angles P-C4'-P energy: -60.150 tors. eta vs tors. theta energy: -115.183 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: 5 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -1280.128666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.128666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.128666 (E_RNA) where: Base-Base interactions energy: -851.694 where: short stacking energy: -398.573 Base-Backbone interact. energy: -0.725 local terms energy: -427.709958 where: bonds (distance) C4'-P energy: -80.080 bonds (distance) P-C4' energy: -77.489 flat angles C4'-P-C4' energy: -87.708 flat angles P-C4'-P energy: -61.813 tors. eta vs tors. theta energy: -120.620 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: 1 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -1196.026175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.026175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.026175 (E_RNA) where: Base-Base interactions energy: -791.266 where: short stacking energy: -323.966 Base-Backbone interact. energy: 1.405 local terms energy: -406.164624 where: bonds (distance) C4'-P energy: -70.241 bonds (distance) P-C4' energy: -90.367 flat angles C4'-P-C4' energy: -82.022 flat angles P-C4'-P energy: -66.191 tors. eta vs tors. theta energy: -97.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -1185.798243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.798243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.798243 (E_RNA) where: Base-Base interactions energy: -804.730 where: short stacking energy: -345.919 Base-Backbone interact. energy: 4.580 local terms energy: -385.648799 where: bonds (distance) C4'-P energy: -75.885 bonds (distance) P-C4' energy: -71.425 flat angles C4'-P-C4' energy: -87.593 flat angles P-C4'-P energy: -60.056 tors. eta vs tors. theta energy: -90.689 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: 8 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -1085.294733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.294733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.294733 (E_RNA) where: Base-Base interactions energy: -715.972 where: short stacking energy: -279.189 Base-Backbone interact. energy: -1.058 local terms energy: -368.264207 where: bonds (distance) C4'-P energy: -80.183 bonds (distance) P-C4' energy: -77.463 flat angles C4'-P-C4' energy: -77.661 flat angles P-C4'-P energy: -47.595 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: 6, replica: 7 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -986.330346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.330346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.330346 (E_RNA) where: Base-Base interactions energy: -651.976 where: short stacking energy: -277.006 Base-Backbone interact. energy: 1.195 local terms energy: -335.549192 where: bonds (distance) C4'-P energy: -65.769 bonds (distance) P-C4' energy: -69.861 flat angles C4'-P-C4' energy: -76.651 flat angles P-C4'-P energy: -51.044 tors. eta vs tors. theta energy: -72.222 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: 7, replica: 6 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -774.270687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.270687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.270687 (E_RNA) where: Base-Base interactions energy: -469.850 where: short stacking energy: -217.613 Base-Backbone interact. energy: -1.041 local terms energy: -303.380269 where: bonds (distance) C4'-P energy: -74.449 bonds (distance) P-C4' energy: -75.857 flat angles C4'-P-C4' energy: -66.475 flat angles P-C4'-P energy: -44.530 tors. eta vs tors. theta energy: -42.070 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: 2 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -603.404418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.404418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.404418 (E_RNA) where: Base-Base interactions energy: -342.816 where: short stacking energy: -183.711 Base-Backbone interact. energy: -0.619 local terms energy: -259.969355 where: bonds (distance) C4'-P energy: -60.012 bonds (distance) P-C4' energy: -55.319 flat angles C4'-P-C4' energy: -72.548 flat angles P-C4'-P energy: -47.250 tors. eta vs tors. theta energy: -24.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -364.279002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.279002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.279002 (E_RNA) where: Base-Base interactions energy: -129.167 where: short stacking energy: -117.926 Base-Backbone interact. energy: 0.542 local terms energy: -235.653462 where: bonds (distance) C4'-P energy: -58.265 bonds (distance) P-C4' energy: -76.687 flat angles C4'-P-C4' energy: -65.570 flat angles P-C4'-P energy: -41.523 tors. eta vs tors. theta energy: 6.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -322.248678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.248678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.248678 (E_RNA) where: Base-Base interactions energy: -108.419 where: short stacking energy: -92.367 Base-Backbone interact. energy: 2.277 local terms energy: -216.106249 where: bonds (distance) C4'-P energy: -62.517 bonds (distance) P-C4' energy: -63.961 flat angles C4'-P-C4' energy: -64.692 flat angles P-C4'-P energy: -34.779 tors. eta vs tors. theta energy: 9.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -1326.447064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.447064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.447064 (E_RNA) where: Base-Base interactions energy: -890.252 where: short stacking energy: -405.088 Base-Backbone interact. energy: -0.894 local terms energy: -435.301240 where: bonds (distance) C4'-P energy: -89.178 bonds (distance) P-C4' energy: -77.643 flat angles C4'-P-C4' energy: -95.672 flat angles P-C4'-P energy: -53.323 tors. eta vs tors. theta energy: -119.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -1292.011090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.011090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.011090 (E_RNA) where: Base-Base interactions energy: -863.886 where: short stacking energy: -407.671 Base-Backbone interact. energy: -1.593 local terms energy: -426.531847 where: bonds (distance) C4'-P energy: -67.872 bonds (distance) P-C4' energy: -81.645 flat angles C4'-P-C4' energy: -94.680 flat angles P-C4'-P energy: -55.246 tors. eta vs tors. theta energy: -127.089 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: 1 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -1210.444872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.444872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.444872 (E_RNA) where: Base-Base interactions energy: -820.593 where: short stacking energy: -327.347 Base-Backbone interact. energy: -1.145 local terms energy: -388.707167 where: bonds (distance) C4'-P energy: -72.078 bonds (distance) P-C4' energy: -81.183 flat angles C4'-P-C4' energy: -85.264 flat angles P-C4'-P energy: -56.425 tors. eta vs tors. theta energy: -93.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -1150.158156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.158156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.158156 (E_RNA) where: Base-Base interactions energy: -781.030 where: short stacking energy: -348.668 Base-Backbone interact. energy: -2.680 local terms energy: -366.448321 where: bonds (distance) C4'-P energy: -71.469 bonds (distance) P-C4' energy: -74.676 flat angles C4'-P-C4' energy: -76.800 flat angles P-C4'-P energy: -49.593 tors. eta vs tors. theta energy: -93.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -1056.816099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.816099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.816099 (E_RNA) where: Base-Base interactions energy: -689.356 where: short stacking energy: -293.137 Base-Backbone interact. energy: -0.480 local terms energy: -366.979464 where: bonds (distance) C4'-P energy: -80.284 bonds (distance) P-C4' energy: -75.465 flat angles C4'-P-C4' energy: -78.092 flat angles P-C4'-P energy: -50.435 tors. eta vs tors. theta energy: -82.703 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: 7 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -1006.169269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.169269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.169269 (E_RNA) where: Base-Base interactions energy: -667.419 where: short stacking energy: -293.335 Base-Backbone interact. energy: 0.307 local terms energy: -339.057957 where: bonds (distance) C4'-P energy: -53.135 bonds (distance) P-C4' energy: -78.276 flat angles C4'-P-C4' energy: -81.645 flat angles P-C4'-P energy: -52.150 tors. eta vs tors. theta energy: -73.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -808.985188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.985188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.985188 (E_RNA) where: Base-Base interactions energy: -507.970 where: short stacking energy: -192.067 Base-Backbone interact. energy: -1.447 local terms energy: -299.568656 where: bonds (distance) C4'-P energy: -74.938 bonds (distance) P-C4' energy: -71.913 flat angles C4'-P-C4' energy: -68.248 flat angles P-C4'-P energy: -47.408 tors. eta vs tors. theta energy: -37.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -628.333304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.333304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.333304 (E_RNA) where: Base-Base interactions energy: -357.152 where: short stacking energy: -181.780 Base-Backbone interact. energy: -1.041 local terms energy: -270.140174 where: bonds (distance) C4'-P energy: -79.399 bonds (distance) P-C4' energy: -62.451 flat angles C4'-P-C4' energy: -58.317 flat angles P-C4'-P energy: -42.760 tors. eta vs tors. theta energy: -27.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -380.465886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.465886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.465886 (E_RNA) where: Base-Base interactions energy: -142.116 where: short stacking energy: -100.184 Base-Backbone interact. energy: -0.402 local terms energy: -237.947370 where: bonds (distance) C4'-P energy: -64.430 bonds (distance) P-C4' energy: -73.837 flat angles C4'-P-C4' energy: -61.019 flat angles P-C4'-P energy: -39.261 tors. eta vs tors. theta energy: 0.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -309.432412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.432412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.432412 (E_RNA) where: Base-Base interactions energy: -93.118 where: short stacking energy: -88.901 Base-Backbone interact. energy: 1.892 local terms energy: -218.205601 where: bonds (distance) C4'-P energy: -64.961 bonds (distance) P-C4' energy: -76.534 flat angles C4'-P-C4' energy: -53.924 flat angles P-C4'-P energy: -29.312 tors. eta vs tors. theta energy: 6.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -1330.594386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.594386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.594386 (E_RNA) where: Base-Base interactions energy: -880.153 where: short stacking energy: -404.102 Base-Backbone interact. energy: -1.652 local terms energy: -448.789633 where: bonds (distance) C4'-P energy: -83.049 bonds (distance) P-C4' energy: -88.382 flat angles C4'-P-C4' energy: -90.503 flat angles P-C4'-P energy: -57.429 tors. eta vs tors. theta energy: -129.426 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: 5 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -1273.616117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.616117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.616117 (E_RNA) where: Base-Base interactions energy: -859.830 where: short stacking energy: -393.678 Base-Backbone interact. energy: -0.927 local terms energy: -412.858588 where: bonds (distance) C4'-P energy: -77.113 bonds (distance) P-C4' energy: -75.144 flat angles C4'-P-C4' energy: -93.430 flat angles P-C4'-P energy: -58.815 tors. eta vs tors. theta energy: -108.357 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: 1 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -1240.678064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.678064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.678064 (E_RNA) where: Base-Base interactions energy: -832.030 where: short stacking energy: -342.774 Base-Backbone interact. energy: -0.026 local terms energy: -408.621750 where: bonds (distance) C4'-P energy: -77.235 bonds (distance) P-C4' energy: -81.081 flat angles C4'-P-C4' energy: -90.783 flat angles P-C4'-P energy: -64.147 tors. eta vs tors. theta energy: -95.376 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: 3 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -1135.216623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.216623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.216623 (E_RNA) where: Base-Base interactions energy: -752.269 where: short stacking energy: -308.011 Base-Backbone interact. energy: -0.708 local terms energy: -382.238779 where: bonds (distance) C4'-P energy: -70.536 bonds (distance) P-C4' energy: -87.114 flat angles C4'-P-C4' energy: -81.485 flat angles P-C4'-P energy: -51.804 tors. eta vs tors. theta energy: -91.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -1098.791292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.791292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.791292 (E_RNA) where: Base-Base interactions energy: -729.638 where: short stacking energy: -317.380 Base-Backbone interact. energy: 2.995 local terms energy: -372.147797 where: bonds (distance) C4'-P energy: -67.383 bonds (distance) P-C4' energy: -68.601 flat angles C4'-P-C4' energy: -85.221 flat angles P-C4'-P energy: -60.558 tors. eta vs tors. theta energy: -90.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -959.907597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.907597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.907597 (E_RNA) where: Base-Base interactions energy: -619.247 where: short stacking energy: -269.263 Base-Backbone interact. energy: -0.954 local terms energy: -339.706358 where: bonds (distance) C4'-P energy: -68.606 bonds (distance) P-C4' energy: -67.542 flat angles C4'-P-C4' energy: -73.978 flat angles P-C4'-P energy: -61.407 tors. eta vs tors. theta energy: -68.173 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: 81 Temperature: 1.200000 Total energy: -767.343113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.343113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.343113 (E_RNA) where: Base-Base interactions energy: -476.689 where: short stacking energy: -218.608 Base-Backbone interact. energy: -2.021 local terms energy: -288.633456 where: bonds (distance) C4'-P energy: -77.437 bonds (distance) P-C4' energy: -79.444 flat angles C4'-P-C4' energy: -64.330 flat angles P-C4'-P energy: -30.414 tors. eta vs tors. theta energy: -37.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -625.461665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.461665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.461665 (E_RNA) where: Base-Base interactions energy: -374.237 where: short stacking energy: -170.766 Base-Backbone interact. energy: -0.802 local terms energy: -250.422689 where: bonds (distance) C4'-P energy: -64.779 bonds (distance) P-C4' energy: -59.989 flat angles C4'-P-C4' energy: -73.263 flat angles P-C4'-P energy: -34.125 tors. eta vs tors. theta energy: -18.267 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: 4 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -341.300333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.300333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.300333 (E_RNA) where: Base-Base interactions energy: -123.889 where: short stacking energy: -93.240 Base-Backbone interact. energy: 2.195 local terms energy: -219.606344 where: bonds (distance) C4'-P energy: -67.878 bonds (distance) P-C4' energy: -78.899 flat angles C4'-P-C4' energy: -55.242 flat angles P-C4'-P energy: -34.111 tors. eta vs tors. theta energy: 16.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -311.151854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.151854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.151854 (E_RNA) where: Base-Base interactions energy: -94.380 where: short stacking energy: -80.748 Base-Backbone interact. energy: 1.858 local terms energy: -218.629645 where: bonds (distance) C4'-P energy: -63.665 bonds (distance) P-C4' energy: -74.345 flat angles C4'-P-C4' energy: -59.923 flat angles P-C4'-P energy: -32.720 tors. eta vs tors. theta energy: 12.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -1333.722816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.722816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.722816 (E_RNA) where: Base-Base interactions energy: -914.152 where: short stacking energy: -403.515 Base-Backbone interact. energy: 2.772 local terms energy: -422.342459 where: bonds (distance) C4'-P energy: -77.936 bonds (distance) P-C4' energy: -75.505 flat angles C4'-P-C4' energy: -81.533 flat angles P-C4'-P energy: -60.745 tors. eta vs tors. theta energy: -126.623 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: 2, replica: 5 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -1277.534374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.534374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.534374 (E_RNA) where: Base-Base interactions energy: -832.853 where: short stacking energy: -402.784 Base-Backbone interact. energy: -0.831 local terms energy: -443.850807 where: bonds (distance) C4'-P energy: -85.372 bonds (distance) P-C4' energy: -83.679 flat angles C4'-P-C4' energy: -88.996 flat angles P-C4'-P energy: -65.576 tors. eta vs tors. theta energy: -120.227 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: 3, replica: 1 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -1214.948863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.948863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.948863 (E_RNA) where: Base-Base interactions energy: -822.996 where: short stacking energy: -339.987 Base-Backbone interact. energy: -0.730 local terms energy: -391.222378 where: bonds (distance) C4'-P energy: -79.120 bonds (distance) P-C4' energy: -73.861 flat angles C4'-P-C4' energy: -89.353 flat angles P-C4'-P energy: -52.819 tors. eta vs tors. theta energy: -96.070 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: 4, replica: 3 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -1182.251239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.251239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.251239 (E_RNA) where: Base-Base interactions energy: -805.393 where: short stacking energy: -340.269 Base-Backbone interact. energy: -1.969 local terms energy: -374.890018 where: bonds (distance) C4'-P energy: -79.902 bonds (distance) P-C4' energy: -74.288 flat angles C4'-P-C4' energy: -88.787 flat angles P-C4'-P energy: -49.510 tors. eta vs tors. theta energy: -82.402 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: 8 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -1091.919828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.919828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.919828 (E_RNA) where: Base-Base interactions energy: -709.950 where: short stacking energy: -310.286 Base-Backbone interact. energy: -2.633 local terms energy: -379.336435 where: bonds (distance) C4'-P energy: -77.365 bonds (distance) P-C4' energy: -83.395 flat angles C4'-P-C4' energy: -80.115 flat angles P-C4'-P energy: -50.704 tors. eta vs tors. theta energy: -87.758 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: 82 Temperature: 1.150000 Total energy: -977.652161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.652161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.652161 (E_RNA) where: Base-Base interactions energy: -656.769 where: short stacking energy: -281.659 Base-Backbone interact. energy: -1.784 local terms energy: -319.099112 where: bonds (distance) C4'-P energy: -68.492 bonds (distance) P-C4' energy: -51.114 flat angles C4'-P-C4' energy: -83.573 flat angles P-C4'-P energy: -51.689 tors. eta vs tors. theta energy: -64.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -767.056066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.056066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.056066 (E_RNA) where: Base-Base interactions energy: -447.518 where: short stacking energy: -210.116 Base-Backbone interact. energy: -1.413 local terms energy: -318.125601 where: bonds (distance) C4'-P energy: -64.687 bonds (distance) P-C4' energy: -76.962 flat angles C4'-P-C4' energy: -74.051 flat angles P-C4'-P energy: -46.366 tors. eta vs tors. theta energy: -56.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -616.946977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.946977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.946977 (E_RNA) where: Base-Base interactions energy: -335.792 where: short stacking energy: -161.534 Base-Backbone interact. energy: -0.837 local terms energy: -280.317932 where: bonds (distance) C4'-P energy: -73.343 bonds (distance) P-C4' energy: -82.264 flat angles C4'-P-C4' energy: -65.551 flat angles P-C4'-P energy: -41.347 tors. eta vs tors. theta energy: -17.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -342.872236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.872236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.872236 (E_RNA) where: Base-Base interactions energy: -133.662 where: short stacking energy: -116.292 Base-Backbone interact. energy: 3.372 local terms energy: -212.582499 where: bonds (distance) C4'-P energy: -65.331 bonds (distance) P-C4' energy: -71.144 flat angles C4'-P-C4' energy: -62.369 flat angles P-C4'-P energy: -35.901 tors. eta vs tors. theta energy: 22.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -338.007567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.007567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.007567 (E_RNA) where: Base-Base interactions energy: -119.701 where: short stacking energy: -91.449 Base-Backbone interact. energy: -0.783 local terms energy: -217.524394 where: bonds (distance) C4'-P energy: -70.002 bonds (distance) P-C4' energy: -75.609 flat angles C4'-P-C4' energy: -48.387 flat angles P-C4'-P energy: -33.937 tors. eta vs tors. theta energy: 10.411 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: 9 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -1320.882413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.882413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.882413 (E_RNA) where: Base-Base interactions energy: -891.751 where: short stacking energy: -389.660 Base-Backbone interact. energy: -1.559 local terms energy: -427.572507 where: bonds (distance) C4'-P energy: -79.412 bonds (distance) P-C4' energy: -79.349 flat angles C4'-P-C4' energy: -95.736 flat angles P-C4'-P energy: -64.190 tors. eta vs tors. theta energy: -108.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -1271.216557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.216557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.216557 (E_RNA) where: Base-Base interactions energy: -840.214 where: short stacking energy: -393.755 Base-Backbone interact. energy: -1.403 local terms energy: -429.599603 where: bonds (distance) C4'-P energy: -83.772 bonds (distance) P-C4' energy: -75.989 flat angles C4'-P-C4' energy: -93.772 flat angles P-C4'-P energy: -62.299 tors. eta vs tors. theta energy: -113.767 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: 1 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -1250.943336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.943336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.943336 (E_RNA) where: Base-Base interactions energy: -846.561 where: short stacking energy: -376.563 Base-Backbone interact. energy: -1.740 local terms energy: -402.642541 where: bonds (distance) C4'-P energy: -73.454 bonds (distance) P-C4' energy: -78.377 flat angles C4'-P-C4' energy: -85.668 flat angles P-C4'-P energy: -52.010 tors. eta vs tors. theta energy: -113.134 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: 3 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -1147.509380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.509380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.509380 (E_RNA) where: Base-Base interactions energy: -777.565 where: short stacking energy: -310.215 Base-Backbone interact. energy: -3.385 local terms energy: -366.559677 where: bonds (distance) C4'-P energy: -74.446 bonds (distance) P-C4' energy: -78.594 flat angles C4'-P-C4' energy: -76.305 flat angles P-C4'-P energy: -49.728 tors. eta vs tors. theta energy: -87.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -1094.172944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.172944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.172944 (E_RNA) where: Base-Base interactions energy: -749.267 where: short stacking energy: -314.921 Base-Backbone interact. energy: 0.399 local terms energy: -345.304323 where: bonds (distance) C4'-P energy: -65.692 bonds (distance) P-C4' energy: -64.184 flat angles C4'-P-C4' energy: -74.519 flat angles P-C4'-P energy: -54.556 tors. eta vs tors. theta energy: -86.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -912.396507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.396507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.396507 (E_RNA) where: Base-Base interactions energy: -620.170 where: short stacking energy: -268.465 Base-Backbone interact. energy: -2.666 local terms energy: -289.560080 where: bonds (distance) C4'-P energy: -55.072 bonds (distance) P-C4' energy: -76.100 flat angles C4'-P-C4' energy: -64.552 flat angles P-C4'-P energy: -38.817 tors. eta vs tors. theta energy: -55.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -792.473810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.473810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.473810 (E_RNA) where: Base-Base interactions energy: -502.908 where: short stacking energy: -228.163 Base-Backbone interact. energy: -0.118 local terms energy: -289.447291 where: bonds (distance) C4'-P energy: -59.315 bonds (distance) P-C4' energy: -81.629 flat angles C4'-P-C4' energy: -79.154 flat angles P-C4'-P energy: -28.048 tors. eta vs tors. theta energy: -41.302 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: 8, replica: 2 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -629.966831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.966831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.966831 (E_RNA) where: Base-Base interactions energy: -352.030 where: short stacking energy: -146.380 Base-Backbone interact. energy: -2.390 local terms energy: -275.546026 where: bonds (distance) C4'-P energy: -73.457 bonds (distance) P-C4' energy: -79.687 flat angles C4'-P-C4' energy: -48.478 flat angles P-C4'-P energy: -54.383 tors. eta vs tors. theta energy: -19.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -349.400793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.400793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.400793 (E_RNA) where: Base-Base interactions energy: -135.325 where: short stacking energy: -90.698 Base-Backbone interact. energy: 0.824 local terms energy: -214.899717 where: bonds (distance) C4'-P energy: -57.887 bonds (distance) P-C4' energy: -82.793 flat angles C4'-P-C4' energy: -64.686 flat angles P-C4'-P energy: -16.290 tors. eta vs tors. theta energy: 6.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -331.444637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.444637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.444637 (E_RNA) where: Base-Base interactions energy: -103.224 where: short stacking energy: -96.677 Base-Backbone interact. energy: -0.829 local terms energy: -227.392467 where: bonds (distance) C4'-P energy: -80.360 bonds (distance) P-C4' energy: -80.793 flat angles C4'-P-C4' energy: -53.952 flat angles P-C4'-P energy: -32.594 tors. eta vs tors. theta energy: 20.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -1349.496034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.496034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.496034 (E_RNA) where: Base-Base interactions energy: -895.925 where: short stacking energy: -400.458 Base-Backbone interact. energy: -1.574 local terms energy: -451.997297 where: bonds (distance) C4'-P energy: -86.599 bonds (distance) P-C4' energy: -83.645 flat angles C4'-P-C4' energy: -100.224 flat angles P-C4'-P energy: -53.710 tors. eta vs tors. theta energy: -127.819 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: 2, replica: 5 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -1282.908100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.908100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.908100 (E_RNA) where: Base-Base interactions energy: -847.345 where: short stacking energy: -392.180 Base-Backbone interact. energy: -0.585 local terms energy: -434.977869 where: bonds (distance) C4'-P energy: -75.531 bonds (distance) P-C4' energy: -81.941 flat angles C4'-P-C4' energy: -91.134 flat angles P-C4'-P energy: -62.341 tors. eta vs tors. theta energy: -124.031 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: 1 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -1230.109962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.109962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.109962 (E_RNA) where: Base-Base interactions energy: -818.532 where: short stacking energy: -339.427 Base-Backbone interact. energy: -0.061 local terms energy: -411.517044 where: bonds (distance) C4'-P energy: -79.154 bonds (distance) P-C4' energy: -90.400 flat angles C4'-P-C4' energy: -94.699 flat angles P-C4'-P energy: -53.052 tors. eta vs tors. theta energy: -94.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -1088.535548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.535548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.535548 (E_RNA) where: Base-Base interactions energy: -712.194 where: short stacking energy: -316.350 Base-Backbone interact. energy: -2.031 local terms energy: -374.309978 where: bonds (distance) C4'-P energy: -78.223 bonds (distance) P-C4' energy: -79.391 flat angles C4'-P-C4' energy: -80.954 flat angles P-C4'-P energy: -52.057 tors. eta vs tors. theta energy: -83.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -1073.992264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.992264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.992264 (E_RNA) where: Base-Base interactions energy: -702.236 where: short stacking energy: -303.202 Base-Backbone interact. energy: -1.583 local terms energy: -370.173504 where: bonds (distance) C4'-P energy: -83.095 bonds (distance) P-C4' energy: -68.225 flat angles C4'-P-C4' energy: -78.750 flat angles P-C4'-P energy: -55.687 tors. eta vs tors. theta energy: -84.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -904.880331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.880331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.880331 (E_RNA) where: Base-Base interactions energy: -576.921 where: short stacking energy: -237.435 Base-Backbone interact. energy: 2.412 local terms energy: -330.370912 where: bonds (distance) C4'-P energy: -77.072 bonds (distance) P-C4' energy: -77.025 flat angles C4'-P-C4' energy: -80.960 flat angles P-C4'-P energy: -40.632 tors. eta vs tors. theta energy: -54.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -780.244190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.244190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.244190 (E_RNA) where: Base-Base interactions energy: -491.829 where: short stacking energy: -249.017 Base-Backbone interact. energy: -3.322 local terms energy: -285.093069 where: bonds (distance) C4'-P energy: -59.088 bonds (distance) P-C4' energy: -75.001 flat angles C4'-P-C4' energy: -68.978 flat angles P-C4'-P energy: -46.049 tors. eta vs tors. theta energy: -35.977 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: 8, replica: 2 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -633.689419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.689419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.689419 (E_RNA) where: Base-Base interactions energy: -355.904 where: short stacking energy: -196.486 Base-Backbone interact. energy: -0.130 local terms energy: -277.655540 where: bonds (distance) C4'-P energy: -57.775 bonds (distance) P-C4' energy: -72.128 flat angles C4'-P-C4' energy: -68.131 flat angles P-C4'-P energy: -44.316 tors. eta vs tors. theta energy: -35.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -356.525305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.525305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.525305 (E_RNA) where: Base-Base interactions energy: -148.649 where: short stacking energy: -117.881 Base-Backbone interact. energy: 1.731 local terms energy: -209.607436 where: bonds (distance) C4'-P energy: -60.501 bonds (distance) P-C4' energy: -65.976 flat angles C4'-P-C4' energy: -62.285 flat angles P-C4'-P energy: -19.765 tors. eta vs tors. theta energy: -1.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -332.518039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.518039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.518039 (E_RNA) where: Base-Base interactions energy: -97.485 where: short stacking energy: -89.800 Base-Backbone interact. energy: -0.438 local terms energy: -234.594839 where: bonds (distance) C4'-P energy: -65.333 bonds (distance) P-C4' energy: -71.115 flat angles C4'-P-C4' energy: -78.251 flat angles P-C4'-P energy: -27.257 tors. eta vs tors. theta energy: 7.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -1310.150475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.150475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.150475 (E_RNA) where: Base-Base interactions energy: -878.868 where: short stacking energy: -391.656 Base-Backbone interact. energy: 0.828 local terms energy: -432.110487 where: bonds (distance) C4'-P energy: -88.062 bonds (distance) P-C4' energy: -89.732 flat angles C4'-P-C4' energy: -95.495 flat angles P-C4'-P energy: -46.095 tors. eta vs tors. theta energy: -112.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -1274.399681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.399681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.399681 (E_RNA) where: Base-Base interactions energy: -845.422 where: short stacking energy: -406.435 Base-Backbone interact. energy: 0.930 local terms energy: -429.907344 where: bonds (distance) C4'-P energy: -79.399 bonds (distance) P-C4' energy: -80.868 flat angles C4'-P-C4' energy: -86.353 flat angles P-C4'-P energy: -58.989 tors. eta vs tors. theta energy: -124.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -1235.356739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.356739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.356739 (E_RNA) where: Base-Base interactions energy: -835.889 where: short stacking energy: -363.196 Base-Backbone interact. energy: 2.182 local terms energy: -401.649929 where: bonds (distance) C4'-P energy: -71.939 bonds (distance) P-C4' energy: -77.973 flat angles C4'-P-C4' energy: -87.499 flat angles P-C4'-P energy: -62.543 tors. eta vs tors. theta energy: -101.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -1141.692956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.692956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.692956 (E_RNA) where: Base-Base interactions energy: -771.159 where: short stacking energy: -333.778 Base-Backbone interact. energy: -0.818 local terms energy: -369.716281 where: bonds (distance) C4'-P energy: -69.665 bonds (distance) P-C4' energy: -74.141 flat angles C4'-P-C4' energy: -79.174 flat angles P-C4'-P energy: -51.729 tors. eta vs tors. theta energy: -95.007 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: 3 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -1099.625828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.625828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.625828 (E_RNA) where: Base-Base interactions energy: -739.785 where: short stacking energy: -293.363 Base-Backbone interact. energy: -3.321 local terms energy: -356.520593 where: bonds (distance) C4'-P energy: -65.261 bonds (distance) P-C4' energy: -74.935 flat angles C4'-P-C4' energy: -91.585 flat angles P-C4'-P energy: -45.134 tors. eta vs tors. theta energy: -79.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -917.970180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.970180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.970180 (E_RNA) where: Base-Base interactions energy: -593.082 where: short stacking energy: -267.688 Base-Backbone interact. energy: -0.024 local terms energy: -324.864851 where: bonds (distance) C4'-P energy: -70.643 bonds (distance) P-C4' energy: -71.991 flat angles C4'-P-C4' energy: -78.211 flat angles P-C4'-P energy: -45.125 tors. eta vs tors. theta energy: -58.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -795.590309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.590309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.590309 (E_RNA) where: Base-Base interactions energy: -507.819 where: short stacking energy: -228.098 Base-Backbone interact. energy: 0.601 local terms energy: -288.372290 where: bonds (distance) C4'-P energy: -56.818 bonds (distance) P-C4' energy: -70.415 flat angles C4'-P-C4' energy: -69.048 flat angles P-C4'-P energy: -38.036 tors. eta vs tors. theta energy: -54.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -604.715894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.715894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.715894 (E_RNA) where: Base-Base interactions energy: -346.977 where: short stacking energy: -169.818 Base-Backbone interact. energy: -0.427 local terms energy: -257.312005 where: bonds (distance) C4'-P energy: -50.677 bonds (distance) P-C4' energy: -78.527 flat angles C4'-P-C4' energy: -66.989 flat angles P-C4'-P energy: -30.182 tors. eta vs tors. theta energy: -30.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -376.730851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.730851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.730851 (E_RNA) where: Base-Base interactions energy: -157.034 where: short stacking energy: -111.550 Base-Backbone interact. energy: -1.584 local terms energy: -218.112747 where: bonds (distance) C4'-P energy: -74.018 bonds (distance) P-C4' energy: -60.815 flat angles C4'-P-C4' energy: -47.445 flat angles P-C4'-P energy: -43.833 tors. eta vs tors. theta energy: 7.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -332.574693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.574693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.574693 (E_RNA) where: Base-Base interactions energy: -131.594 where: short stacking energy: -100.045 Base-Backbone interact. energy: 1.926 local terms energy: -202.906459 where: bonds (distance) C4'-P energy: -76.152 bonds (distance) P-C4' energy: -62.505 flat angles C4'-P-C4' energy: -51.433 flat angles P-C4'-P energy: -32.643 tors. eta vs tors. theta energy: 19.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -1330.929342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.929342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.929342 (E_RNA) where: Base-Base interactions energy: -877.278 where: short stacking energy: -397.505 Base-Backbone interact. energy: -1.678 local terms energy: -451.973598 where: bonds (distance) C4'-P energy: -90.345 bonds (distance) P-C4' energy: -81.618 flat angles C4'-P-C4' energy: -93.084 flat angles P-C4'-P energy: -62.809 tors. eta vs tors. theta energy: -124.117 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: 2, replica: 5 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -1301.081912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.081912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.081912 (E_RNA) where: Base-Base interactions energy: -871.517 where: short stacking energy: -419.200 Base-Backbone interact. energy: -1.255 local terms energy: -428.310154 where: bonds (distance) C4'-P energy: -72.978 bonds (distance) P-C4' energy: -87.037 flat angles C4'-P-C4' energy: -83.679 flat angles P-C4'-P energy: -64.799 tors. eta vs tors. theta energy: -119.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -1240.729182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.729182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.729182 (E_RNA) where: Base-Base interactions energy: -831.831 where: short stacking energy: -345.390 Base-Backbone interact. energy: -1.833 local terms energy: -407.065057 where: bonds (distance) C4'-P energy: -81.711 bonds (distance) P-C4' energy: -82.215 flat angles C4'-P-C4' energy: -90.696 flat angles P-C4'-P energy: -51.185 tors. eta vs tors. theta energy: -101.259 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: 8 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -1167.629326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.629326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.629326 (E_RNA) where: Base-Base interactions energy: -766.054 where: short stacking energy: -350.561 Base-Backbone interact. energy: 0.015 local terms energy: -401.590903 where: bonds (distance) C4'-P energy: -82.749 bonds (distance) P-C4' energy: -76.916 flat angles C4'-P-C4' energy: -88.634 flat angles P-C4'-P energy: -47.753 tors. eta vs tors. theta energy: -105.538 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: 3 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -1086.878096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.878096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.878096 (E_RNA) where: Base-Base interactions energy: -739.072 where: short stacking energy: -302.781 Base-Backbone interact. energy: 0.957 local terms energy: -348.763370 where: bonds (distance) C4'-P energy: -65.376 bonds (distance) P-C4' energy: -80.414 flat angles C4'-P-C4' energy: -74.389 flat angles P-C4'-P energy: -50.576 tors. eta vs tors. theta energy: -78.009 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: 7 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -939.367856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.367856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.367856 (E_RNA) where: Base-Base interactions energy: -585.787 where: short stacking energy: -260.270 Base-Backbone interact. energy: -1.405 local terms energy: -352.175852 where: bonds (distance) C4'-P energy: -88.453 bonds (distance) P-C4' energy: -86.639 flat angles C4'-P-C4' energy: -69.302 flat angles P-C4'-P energy: -49.167 tors. eta vs tors. theta energy: -58.615 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: 6 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -787.580862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.580862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.580862 (E_RNA) where: Base-Base interactions energy: -517.423 where: short stacking energy: -230.344 Base-Backbone interact. energy: 2.441 local terms energy: -272.599418 where: bonds (distance) C4'-P energy: -58.766 bonds (distance) P-C4' energy: -63.934 flat angles C4'-P-C4' energy: -70.428 flat angles P-C4'-P energy: -34.598 tors. eta vs tors. theta energy: -44.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -619.955493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.955493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.955493 (E_RNA) where: Base-Base interactions energy: -359.939 where: short stacking energy: -188.708 Base-Backbone interact. energy: -0.185 local terms energy: -259.831075 where: bonds (distance) C4'-P energy: -69.907 bonds (distance) P-C4' energy: -69.244 flat angles C4'-P-C4' energy: -48.506 flat angles P-C4'-P energy: -49.025 tors. eta vs tors. theta energy: -23.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -340.232322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.232322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.232322 (E_RNA) where: Base-Base interactions energy: -121.572 where: short stacking energy: -85.872 Base-Backbone interact. energy: 2.055 local terms energy: -220.714958 where: bonds (distance) C4'-P energy: -69.555 bonds (distance) P-C4' energy: -71.337 flat angles C4'-P-C4' energy: -57.932 flat angles P-C4'-P energy: -32.580 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: 10 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -346.571937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.571937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.571937 (E_RNA) where: Base-Base interactions energy: -113.775 where: short stacking energy: -108.374 Base-Backbone interact. energy: -2.011 local terms energy: -230.785909 where: bonds (distance) C4'-P energy: -74.460 bonds (distance) P-C4' energy: -65.865 flat angles C4'-P-C4' energy: -59.342 flat angles P-C4'-P energy: -35.824 tors. eta vs tors. theta energy: 4.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -1270.193983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.193983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.193983 (E_RNA) where: Base-Base interactions energy: -852.571 where: short stacking energy: -370.531 Base-Backbone interact. energy: 0.343 local terms energy: -417.966494 where: bonds (distance) C4'-P energy: -76.469 bonds (distance) P-C4' energy: -79.003 flat angles C4'-P-C4' energy: -93.063 flat angles P-C4'-P energy: -55.879 tors. eta vs tors. theta energy: -113.552 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: 5 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -1289.481669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.481669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.481669 (E_RNA) where: Base-Base interactions energy: -855.049 where: short stacking energy: -403.615 Base-Backbone interact. energy: 1.656 local terms energy: -436.088391 where: bonds (distance) C4'-P energy: -80.375 bonds (distance) P-C4' energy: -80.517 flat angles C4'-P-C4' energy: -92.536 flat angles P-C4'-P energy: -54.694 tors. eta vs tors. theta energy: -127.967 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: 1 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -1249.800576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.800576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.800576 (E_RNA) where: Base-Base interactions energy: -831.222 where: short stacking energy: -355.048 Base-Backbone interact. energy: -1.402 local terms energy: -417.176499 where: bonds (distance) C4'-P energy: -80.428 bonds (distance) P-C4' energy: -79.357 flat angles C4'-P-C4' energy: -94.505 flat angles P-C4'-P energy: -63.913 tors. eta vs tors. theta energy: -98.973 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: 8 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -1137.482268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.482268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.482268 (E_RNA) where: Base-Base interactions energy: -757.392 where: short stacking energy: -331.669 Base-Backbone interact. energy: -0.814 local terms energy: -379.276215 where: bonds (distance) C4'-P energy: -71.912 bonds (distance) P-C4' energy: -75.355 flat angles C4'-P-C4' energy: -76.519 flat angles P-C4'-P energy: -63.286 tors. eta vs tors. theta energy: -92.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -1092.381204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.381204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.381204 (E_RNA) where: Base-Base interactions energy: -742.900 where: short stacking energy: -308.676 Base-Backbone interact. energy: -1.106 local terms energy: -348.374741 where: bonds (distance) C4'-P energy: -67.444 bonds (distance) P-C4' energy: -69.964 flat angles C4'-P-C4' energy: -82.392 flat angles P-C4'-P energy: -47.722 tors. eta vs tors. theta energy: -80.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -908.926377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.926377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.926377 (E_RNA) where: Base-Base interactions energy: -582.337 where: short stacking energy: -263.144 Base-Backbone interact. energy: -1.844 local terms energy: -324.744687 where: bonds (distance) C4'-P energy: -79.563 bonds (distance) P-C4' energy: -64.994 flat angles C4'-P-C4' energy: -73.402 flat angles P-C4'-P energy: -51.027 tors. eta vs tors. theta energy: -55.758 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: 6 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -810.222652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.222652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.222652 (E_RNA) where: Base-Base interactions energy: -504.974 where: short stacking energy: -234.946 Base-Backbone interact. energy: 0.186 local terms energy: -305.434844 where: bonds (distance) C4'-P energy: -62.662 bonds (distance) P-C4' energy: -68.488 flat angles C4'-P-C4' energy: -80.242 flat angles P-C4'-P energy: -44.128 tors. eta vs tors. theta energy: -49.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -658.239319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.239319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.239319 (E_RNA) where: Base-Base interactions energy: -380.614 where: short stacking energy: -190.049 Base-Backbone interact. energy: -1.173 local terms energy: -276.452137 where: bonds (distance) C4'-P energy: -71.638 bonds (distance) P-C4' energy: -69.075 flat angles C4'-P-C4' energy: -67.133 flat angles P-C4'-P energy: -35.476 tors. eta vs tors. theta energy: -33.131 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: 4 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -398.035932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.035932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.035932 (E_RNA) where: Base-Base interactions energy: -156.215 where: short stacking energy: -106.207 Base-Backbone interact. energy: -1.595 local terms energy: -240.226123 where: bonds (distance) C4'-P energy: -74.595 bonds (distance) P-C4' energy: -71.809 flat angles C4'-P-C4' energy: -72.712 flat angles P-C4'-P energy: -29.445 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: 10, replica: 10 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -328.375874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.375874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.375874 (E_RNA) where: Base-Base interactions energy: -107.338 where: short stacking energy: -85.655 Base-Backbone interact. energy: -0.225 local terms energy: -220.812520 where: bonds (distance) C4'-P energy: -66.732 bonds (distance) P-C4' energy: -72.002 flat angles C4'-P-C4' energy: -60.549 flat angles P-C4'-P energy: -37.670 tors. eta vs tors. theta energy: 16.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -1300.998279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.998279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.998279 (E_RNA) where: Base-Base interactions energy: -849.415 where: short stacking energy: -409.999 Base-Backbone interact. energy: -0.802 local terms energy: -450.780935 where: bonds (distance) C4'-P energy: -81.591 bonds (distance) P-C4' energy: -86.303 flat angles C4'-P-C4' energy: -92.130 flat angles P-C4'-P energy: -66.302 tors. eta vs tors. theta energy: -124.455 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: 2, replica: 9 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -1287.903623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.903623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.903623 (E_RNA) where: Base-Base interactions energy: -861.791 where: short stacking energy: -387.240 Base-Backbone interact. energy: -0.138 local terms energy: -425.974388 where: bonds (distance) C4'-P energy: -82.742 bonds (distance) P-C4' energy: -76.157 flat angles C4'-P-C4' energy: -86.403 flat angles P-C4'-P energy: -59.673 tors. eta vs tors. theta energy: -121.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -1228.742775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.742775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.742775 (E_RNA) where: Base-Base interactions energy: -829.175 where: short stacking energy: -345.780 Base-Backbone interact. energy: -0.273 local terms energy: -399.294940 where: bonds (distance) C4'-P energy: -72.349 bonds (distance) P-C4' energy: -83.451 flat angles C4'-P-C4' energy: -83.684 flat angles P-C4'-P energy: -55.229 tors. eta vs tors. theta energy: -104.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -1149.632496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.632496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.632496 (E_RNA) where: Base-Base interactions energy: -755.418 where: short stacking energy: -334.800 Base-Backbone interact. energy: -0.884 local terms energy: -393.331331 where: bonds (distance) C4'-P energy: -74.961 bonds (distance) P-C4' energy: -79.653 flat angles C4'-P-C4' energy: -81.453 flat angles P-C4'-P energy: -68.286 tors. eta vs tors. theta energy: -88.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -1079.353179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.353179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.353179 (E_RNA) where: Base-Base interactions energy: -720.191 where: short stacking energy: -299.752 Base-Backbone interact. energy: -3.200 local terms energy: -355.962476 where: bonds (distance) C4'-P energy: -66.069 bonds (distance) P-C4' energy: -78.077 flat angles C4'-P-C4' energy: -77.610 flat angles P-C4'-P energy: -54.688 tors. eta vs tors. theta energy: -79.517 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: 88 Temperature: 1.150000 Total energy: -889.702760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.702760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.702760 (E_RNA) where: Base-Base interactions energy: -567.540 where: short stacking energy: -267.810 Base-Backbone interact. energy: -0.901 local terms energy: -321.261631 where: bonds (distance) C4'-P energy: -69.385 bonds (distance) P-C4' energy: -81.410 flat angles C4'-P-C4' energy: -66.155 flat angles P-C4'-P energy: -45.273 tors. eta vs tors. theta energy: -59.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -829.995330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.995330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.995330 (E_RNA) where: Base-Base interactions energy: -522.577 where: short stacking energy: -223.285 Base-Backbone interact. energy: 0.697 local terms energy: -308.115232 where: bonds (distance) C4'-P energy: -72.182 bonds (distance) P-C4' energy: -73.482 flat angles C4'-P-C4' energy: -77.543 flat angles P-C4'-P energy: -39.815 tors. eta vs tors. theta energy: -45.094 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: 2 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -600.711071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.711071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.711071 (E_RNA) where: Base-Base interactions energy: -332.836 where: short stacking energy: -156.338 Base-Backbone interact. energy: -1.544 local terms energy: -266.330383 where: bonds (distance) C4'-P energy: -85.069 bonds (distance) P-C4' energy: -58.707 flat angles C4'-P-C4' energy: -65.658 flat angles P-C4'-P energy: -40.791 tors. eta vs tors. theta energy: -16.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -339.028394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.028394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.028394 (E_RNA) where: Base-Base interactions energy: -124.803 where: short stacking energy: -106.206 Base-Backbone interact. energy: -1.217 local terms energy: -213.007646 where: bonds (distance) C4'-P energy: -70.565 bonds (distance) P-C4' energy: -74.475 flat angles C4'-P-C4' energy: -58.789 flat angles P-C4'-P energy: -18.322 tors. eta vs tors. theta energy: 9.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -332.100182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.100182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.100182 (E_RNA) where: Base-Base interactions energy: -117.079 where: short stacking energy: -99.533 Base-Backbone interact. energy: -0.903 local terms energy: -214.118586 where: bonds (distance) C4'-P energy: -59.376 bonds (distance) P-C4' energy: -77.059 flat angles C4'-P-C4' energy: -48.353 flat angles P-C4'-P energy: -30.976 tors. eta vs tors. theta energy: 1.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -1312.394390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.394390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.394390 (E_RNA) where: Base-Base interactions energy: -865.060 where: short stacking energy: -412.107 Base-Backbone interact. energy: -1.204 local terms energy: -446.130917 where: bonds (distance) C4'-P energy: -85.922 bonds (distance) P-C4' energy: -81.476 flat angles C4'-P-C4' energy: -97.157 flat angles P-C4'-P energy: -60.148 tors. eta vs tors. theta energy: -121.429 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: 9 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -1282.683867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.683867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.683867 (E_RNA) where: Base-Base interactions energy: -824.085 where: short stacking energy: -394.680 Base-Backbone interact. energy: 0.556 local terms energy: -459.154824 where: bonds (distance) C4'-P energy: -82.077 bonds (distance) P-C4' energy: -93.825 flat angles C4'-P-C4' energy: -92.212 flat angles P-C4'-P energy: -63.545 tors. eta vs tors. theta energy: -127.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -1255.610247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.610247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.610247 (E_RNA) where: Base-Base interactions energy: -862.512 where: short stacking energy: -377.166 Base-Backbone interact. energy: -0.382 local terms energy: -392.716235 where: bonds (distance) C4'-P energy: -84.001 bonds (distance) P-C4' energy: -76.472 flat angles C4'-P-C4' energy: -79.453 flat angles P-C4'-P energy: -39.130 tors. eta vs tors. theta energy: -113.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -1133.665615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.665615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.665615 (E_RNA) where: Base-Base interactions energy: -755.310 where: short stacking energy: -339.093 Base-Backbone interact. energy: 0.108 local terms energy: -378.462900 where: bonds (distance) C4'-P energy: -72.126 bonds (distance) P-C4' energy: -72.644 flat angles C4'-P-C4' energy: -92.067 flat angles P-C4'-P energy: -44.695 tors. eta vs tors. theta energy: -96.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -1107.838545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.838545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.838545 (E_RNA) where: Base-Base interactions energy: -732.431 where: short stacking energy: -309.994 Base-Backbone interact. energy: 3.332 local terms energy: -378.739574 where: bonds (distance) C4'-P energy: -70.443 bonds (distance) P-C4' energy: -81.888 flat angles C4'-P-C4' energy: -76.813 flat angles P-C4'-P energy: -57.200 tors. eta vs tors. theta energy: -92.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -885.672309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.672309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.672309 (E_RNA) where: Base-Base interactions energy: -547.713 where: short stacking energy: -243.815 Base-Backbone interact. energy: -1.731 local terms energy: -336.227810 where: bonds (distance) C4'-P energy: -86.131 bonds (distance) P-C4' energy: -63.417 flat angles C4'-P-C4' energy: -78.778 flat angles P-C4'-P energy: -45.072 tors. eta vs tors. theta energy: -62.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -768.154508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.154508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.154508 (E_RNA) where: Base-Base interactions energy: -457.818 where: short stacking energy: -216.898 Base-Backbone interact. energy: -1.343 local terms energy: -308.992811 where: bonds (distance) C4'-P energy: -76.391 bonds (distance) P-C4' energy: -70.157 flat angles C4'-P-C4' energy: -78.324 flat angles P-C4'-P energy: -38.969 tors. eta vs tors. theta energy: -45.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -615.342109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.342109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.342109 (E_RNA) where: Base-Base interactions energy: -341.484 where: short stacking energy: -170.709 Base-Backbone interact. energy: -1.299 local terms energy: -272.558947 where: bonds (distance) C4'-P energy: -55.487 bonds (distance) P-C4' energy: -67.642 flat angles C4'-P-C4' energy: -65.118 flat angles P-C4'-P energy: -50.848 tors. eta vs tors. theta energy: -33.464 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: 9, replica: 4 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -385.530882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.530882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.530882 (E_RNA) where: Base-Base interactions energy: -147.805 where: short stacking energy: -124.668 Base-Backbone interact. energy: 1.620 local terms energy: -239.345531 where: bonds (distance) C4'-P energy: -72.197 bonds (distance) P-C4' energy: -65.617 flat angles C4'-P-C4' energy: -63.150 flat angles P-C4'-P energy: -33.342 tors. eta vs tors. theta energy: -5.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -328.616844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.616844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.616844 (E_RNA) where: Base-Base interactions energy: -127.042 where: short stacking energy: -117.234 Base-Backbone interact. energy: -1.449 local terms energy: -200.125708 where: bonds (distance) C4'-P energy: -59.871 bonds (distance) P-C4' energy: -59.281 flat angles C4'-P-C4' energy: -48.110 flat angles P-C4'-P energy: -39.329 tors. eta vs tors. theta energy: 6.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -1304.432206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.432206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.432206 (E_RNA) where: Base-Base interactions energy: -873.869 where: short stacking energy: -414.231 Base-Backbone interact. energy: -2.611 local terms energy: -427.952590 where: bonds (distance) C4'-P energy: -78.014 bonds (distance) P-C4' energy: -89.117 flat angles C4'-P-C4' energy: -86.698 flat angles P-C4'-P energy: -53.782 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: 2, replica: 9 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -1287.633910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.633910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.633910 (E_RNA) where: Base-Base interactions energy: -836.300 where: short stacking energy: -393.044 Base-Backbone interact. energy: -1.415 local terms energy: -449.918559 where: bonds (distance) C4'-P energy: -84.521 bonds (distance) P-C4' energy: -92.065 flat angles C4'-P-C4' energy: -92.987 flat angles P-C4'-P energy: -58.503 tors. eta vs tors. theta energy: -121.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -1231.381611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.381611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.381611 (E_RNA) where: Base-Base interactions energy: -825.448 where: short stacking energy: -345.935 Base-Backbone interact. energy: -3.525 local terms energy: -402.408027 where: bonds (distance) C4'-P energy: -81.037 bonds (distance) P-C4' energy: -77.858 flat angles C4'-P-C4' energy: -85.495 flat angles P-C4'-P energy: -59.608 tors. eta vs tors. theta energy: -98.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -1179.633800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.633800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.633800 (E_RNA) where: Base-Base interactions energy: -785.024 where: short stacking energy: -367.185 Base-Backbone interact. energy: -0.181 local terms energy: -394.429037 where: bonds (distance) C4'-P energy: -78.660 bonds (distance) P-C4' energy: -71.111 flat angles C4'-P-C4' energy: -83.334 flat angles P-C4'-P energy: -60.657 tors. eta vs tors. theta energy: -100.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -1079.235932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.235932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.235932 (E_RNA) where: Base-Base interactions energy: -727.183 where: short stacking energy: -288.669 Base-Backbone interact. energy: 1.813 local terms energy: -353.865736 where: bonds (distance) C4'-P energy: -74.443 bonds (distance) P-C4' energy: -79.652 flat angles C4'-P-C4' energy: -79.672 flat angles P-C4'-P energy: -42.815 tors. eta vs tors. theta energy: -77.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -974.847380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.847380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.847380 (E_RNA) where: Base-Base interactions energy: -632.218 where: short stacking energy: -269.374 Base-Backbone interact. energy: -1.893 local terms energy: -340.736561 where: bonds (distance) C4'-P energy: -56.738 bonds (distance) P-C4' energy: -78.385 flat angles C4'-P-C4' energy: -81.561 flat angles P-C4'-P energy: -49.520 tors. eta vs tors. theta energy: -74.533 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: 90 Temperature: 1.200000 Total energy: -780.314061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.314061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.314061 (E_RNA) where: Base-Base interactions energy: -487.577 where: short stacking energy: -222.879 Base-Backbone interact. energy: -2.162 local terms energy: -290.575913 where: bonds (distance) C4'-P energy: -67.486 bonds (distance) P-C4' energy: -64.962 flat angles C4'-P-C4' energy: -73.073 flat angles P-C4'-P energy: -30.680 tors. eta vs tors. theta energy: -54.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -599.403711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.403711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.403711 (E_RNA) where: Base-Base interactions energy: -331.988 where: short stacking energy: -163.547 Base-Backbone interact. energy: -0.675 local terms energy: -266.740537 where: bonds (distance) C4'-P energy: -84.114 bonds (distance) P-C4' energy: -65.681 flat angles C4'-P-C4' energy: -69.061 flat angles P-C4'-P energy: -31.564 tors. eta vs tors. theta energy: -16.322 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: 4 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -361.816698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.816698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.816698 (E_RNA) where: Base-Base interactions energy: -121.008 where: short stacking energy: -90.821 Base-Backbone interact. energy: 0.555 local terms energy: -241.363771 where: bonds (distance) C4'-P energy: -67.276 bonds (distance) P-C4' energy: -71.119 flat angles C4'-P-C4' energy: -64.920 flat angles P-C4'-P energy: -45.606 tors. eta vs tors. theta energy: 7.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -364.959858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.959858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.959858 (E_RNA) where: Base-Base interactions energy: -152.372 where: short stacking energy: -120.209 Base-Backbone interact. energy: 0.982 local terms energy: -213.569984 where: bonds (distance) C4'-P energy: -51.671 bonds (distance) P-C4' energy: -70.571 flat angles C4'-P-C4' energy: -60.083 flat angles P-C4'-P energy: -24.785 tors. eta vs tors. theta energy: -6.460 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: 1, replica: 5 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -1293.469314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.469314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.469314 (E_RNA) where: Base-Base interactions energy: -856.841 where: short stacking energy: -405.770 Base-Backbone interact. energy: -0.813 local terms energy: -435.815309 where: bonds (distance) C4'-P energy: -71.911 bonds (distance) P-C4' energy: -87.645 flat angles C4'-P-C4' energy: -92.243 flat angles P-C4'-P energy: -66.171 tors. eta vs tors. theta energy: -117.845 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: 1 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -1275.707869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.707869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.707869 (E_RNA) where: Base-Base interactions energy: -851.075 where: short stacking energy: -355.888 Base-Backbone interact. energy: -3.104 local terms energy: -421.528475 where: bonds (distance) C4'-P energy: -81.709 bonds (distance) P-C4' energy: -74.701 flat angles C4'-P-C4' energy: -91.906 flat angles P-C4'-P energy: -65.215 tors. eta vs tors. theta energy: -107.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -1227.489852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.489852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.489852 (E_RNA) where: Base-Base interactions energy: -797.586 where: short stacking energy: -360.018 Base-Backbone interact. energy: 0.629 local terms energy: -430.533530 where: bonds (distance) C4'-P energy: -81.316 bonds (distance) P-C4' energy: -84.783 flat angles C4'-P-C4' energy: -87.895 flat angles P-C4'-P energy: -59.821 tors. eta vs tors. theta energy: -116.719 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: 8 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -1121.899760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.899760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.899760 (E_RNA) where: Base-Base interactions energy: -748.448 where: short stacking energy: -327.983 Base-Backbone interact. energy: -1.049 local terms energy: -372.402769 where: bonds (distance) C4'-P energy: -76.208 bonds (distance) P-C4' energy: -75.504 flat angles C4'-P-C4' energy: -80.466 flat angles P-C4'-P energy: -51.290 tors. eta vs tors. theta energy: -88.935 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: 3 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -1076.953156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.953156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.953156 (E_RNA) where: Base-Base interactions energy: -700.737 where: short stacking energy: -299.899 Base-Backbone interact. energy: 0.253 local terms energy: -376.469022 where: bonds (distance) C4'-P energy: -67.579 bonds (distance) P-C4' energy: -79.009 flat angles C4'-P-C4' energy: -92.623 flat angles P-C4'-P energy: -53.351 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: 6, replica: 7 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -913.238331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.238331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.238331 (E_RNA) where: Base-Base interactions energy: -591.332 where: short stacking energy: -272.112 Base-Backbone interact. energy: -0.739 local terms energy: -321.167560 where: bonds (distance) C4'-P energy: -73.036 bonds (distance) P-C4' energy: -66.738 flat angles C4'-P-C4' energy: -73.172 flat angles P-C4'-P energy: -46.834 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: 7, replica: 6 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -841.047149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.047149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.047149 (E_RNA) where: Base-Base interactions energy: -542.183 where: short stacking energy: -241.402 Base-Backbone interact. energy: -0.946 local terms energy: -297.918356 where: bonds (distance) C4'-P energy: -62.633 bonds (distance) P-C4' energy: -64.834 flat angles C4'-P-C4' energy: -60.448 flat angles P-C4'-P energy: -54.890 tors. eta vs tors. theta energy: -55.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -606.409660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.409660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.409660 (E_RNA) where: Base-Base interactions energy: -335.468 where: short stacking energy: -171.960 Base-Backbone interact. energy: 0.007 local terms energy: -270.947730 where: bonds (distance) C4'-P energy: -64.325 bonds (distance) P-C4' energy: -80.931 flat angles C4'-P-C4' energy: -60.003 flat angles P-C4'-P energy: -50.836 tors. eta vs tors. theta energy: -14.853 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: 4 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -329.911871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.911871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.911871 (E_RNA) where: Base-Base interactions energy: -101.521 where: short stacking energy: -80.189 Base-Backbone interact. energy: 0.833 local terms energy: -229.224016 where: bonds (distance) C4'-P energy: -71.400 bonds (distance) P-C4' energy: -71.307 flat angles C4'-P-C4' energy: -65.642 flat angles P-C4'-P energy: -34.696 tors. eta vs tors. theta energy: 13.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -345.633984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.633984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.633984 (E_RNA) where: Base-Base interactions energy: -134.527 where: short stacking energy: -109.111 Base-Backbone interact. energy: -0.189 local terms energy: -210.917909 where: bonds (distance) C4'-P energy: -65.845 bonds (distance) P-C4' energy: -71.530 flat angles C4'-P-C4' energy: -52.712 flat angles P-C4'-P energy: -32.720 tors. eta vs tors. theta energy: 11.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -1312.063048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.063048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.063048 (E_RNA) where: Base-Base interactions energy: -869.609 where: short stacking energy: -396.076 Base-Backbone interact. energy: -1.238 local terms energy: -441.216942 where: bonds (distance) C4'-P energy: -75.719 bonds (distance) P-C4' energy: -81.332 flat angles C4'-P-C4' energy: -95.140 flat angles P-C4'-P energy: -64.276 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: 2, replica: 1 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -1291.473201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.473201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.473201 (E_RNA) where: Base-Base interactions energy: -888.392 where: short stacking energy: -381.881 Base-Backbone interact. energy: -0.303 local terms energy: -402.778069 where: bonds (distance) C4'-P energy: -83.468 bonds (distance) P-C4' energy: -72.234 flat angles C4'-P-C4' energy: -93.336 flat angles P-C4'-P energy: -55.533 tors. eta vs tors. theta energy: -98.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -1246.900929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.900929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.900929 (E_RNA) where: Base-Base interactions energy: -827.342 where: short stacking energy: -350.568 Base-Backbone interact. energy: -0.095 local terms energy: -419.463866 where: bonds (distance) C4'-P energy: -70.713 bonds (distance) P-C4' energy: -89.193 flat angles C4'-P-C4' energy: -92.037 flat angles P-C4'-P energy: -60.031 tors. eta vs tors. theta energy: -107.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -1116.493973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.493973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.493973 (E_RNA) where: Base-Base interactions energy: -746.344 where: short stacking energy: -315.870 Base-Backbone interact. energy: -0.928 local terms energy: -369.221437 where: bonds (distance) C4'-P energy: -73.765 bonds (distance) P-C4' energy: -82.705 flat angles C4'-P-C4' energy: -75.545 flat angles P-C4'-P energy: -50.245 tors. eta vs tors. theta energy: -86.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -1081.565161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.565161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.565161 (E_RNA) where: Base-Base interactions energy: -715.255 where: short stacking energy: -300.382 Base-Backbone interact. energy: 1.362 local terms energy: -367.672447 where: bonds (distance) C4'-P energy: -71.557 bonds (distance) P-C4' energy: -86.566 flat angles C4'-P-C4' energy: -77.906 flat angles P-C4'-P energy: -52.465 tors. eta vs tors. theta energy: -79.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -922.581447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.581447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.581447 (E_RNA) where: Base-Base interactions energy: -587.367 where: short stacking energy: -273.975 Base-Backbone interact. energy: 0.784 local terms energy: -335.999276 where: bonds (distance) C4'-P energy: -78.386 bonds (distance) P-C4' energy: -73.914 flat angles C4'-P-C4' energy: -83.868 flat angles P-C4'-P energy: -34.287 tors. eta vs tors. theta energy: -65.544 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: 6 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -847.564779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.564779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.564779 (E_RNA) where: Base-Base interactions energy: -513.042 where: short stacking energy: -242.491 Base-Backbone interact. energy: -3.098 local terms energy: -331.424952 where: bonds (distance) C4'-P energy: -78.578 bonds (distance) P-C4' energy: -77.330 flat angles C4'-P-C4' energy: -73.765 flat angles P-C4'-P energy: -43.790 tors. eta vs tors. theta energy: -57.962 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: 2 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -604.771197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.771197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.771197 (E_RNA) where: Base-Base interactions energy: -327.927 where: short stacking energy: -168.037 Base-Backbone interact. energy: 0.970 local terms energy: -277.813856 where: bonds (distance) C4'-P energy: -72.604 bonds (distance) P-C4' energy: -73.448 flat angles C4'-P-C4' energy: -67.891 flat angles P-C4'-P energy: -39.810 tors. eta vs tors. theta energy: -24.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -413.851401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.851401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.851401 (E_RNA) where: Base-Base interactions energy: -179.179 where: short stacking energy: -111.447 Base-Backbone interact. energy: -1.283 local terms energy: -233.389515 where: bonds (distance) C4'-P energy: -73.538 bonds (distance) P-C4' energy: -61.990 flat angles C4'-P-C4' energy: -62.883 flat angles P-C4'-P energy: -32.982 tors. eta vs tors. theta energy: -1.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -335.340742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.340742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.340742 (E_RNA) where: Base-Base interactions energy: -90.348 where: short stacking energy: -86.985 Base-Backbone interact. energy: 2.408 local terms energy: -247.400818 where: bonds (distance) C4'-P energy: -75.612 bonds (distance) P-C4' energy: -77.732 flat angles C4'-P-C4' energy: -62.009 flat angles P-C4'-P energy: -41.085 tors. eta vs tors. theta energy: 9.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -1305.555666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.555666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.555666 (E_RNA) where: Base-Base interactions energy: -879.374 where: short stacking energy: -411.122 Base-Backbone interact. energy: -0.801 local terms energy: -425.380281 where: bonds (distance) C4'-P energy: -75.294 bonds (distance) P-C4' energy: -79.671 flat angles C4'-P-C4' energy: -94.141 flat angles P-C4'-P energy: -50.336 tors. eta vs tors. theta energy: -125.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -1268.108681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.108681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.108681 (E_RNA) where: Base-Base interactions energy: -855.051 where: short stacking energy: -370.646 Base-Backbone interact. energy: -1.059 local terms energy: -411.999138 where: bonds (distance) C4'-P energy: -77.312 bonds (distance) P-C4' energy: -79.267 flat angles C4'-P-C4' energy: -87.650 flat angles P-C4'-P energy: -61.470 tors. eta vs tors. theta energy: -106.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -1259.238887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.238887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.238887 (E_RNA) where: Base-Base interactions energy: -848.698 where: short stacking energy: -374.701 Base-Backbone interact. energy: -1.069 local terms energy: -409.472733 where: bonds (distance) C4'-P energy: -81.282 bonds (distance) P-C4' energy: -85.860 flat angles C4'-P-C4' energy: -93.486 flat angles P-C4'-P energy: -45.793 tors. eta vs tors. theta energy: -103.052 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: 3 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -1066.544065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.544065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.544065 (E_RNA) where: Base-Base interactions energy: -714.888 where: short stacking energy: -294.346 Base-Backbone interact. energy: -4.026 local terms energy: -347.630311 where: bonds (distance) C4'-P energy: -72.664 bonds (distance) P-C4' energy: -80.773 flat angles C4'-P-C4' energy: -79.109 flat angles P-C4'-P energy: -45.580 tors. eta vs tors. theta energy: -69.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -1099.597218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.597218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.597218 (E_RNA) where: Base-Base interactions energy: -733.760 where: short stacking energy: -336.760 Base-Backbone interact. energy: -0.098 local terms energy: -365.738721 where: bonds (distance) C4'-P energy: -67.127 bonds (distance) P-C4' energy: -79.465 flat angles C4'-P-C4' energy: -82.514 flat angles P-C4'-P energy: -46.887 tors. eta vs tors. theta energy: -89.746 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: 93 Temperature: 1.150000 Total energy: -957.884843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.884843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.884843 (E_RNA) where: Base-Base interactions energy: -593.296 where: short stacking energy: -283.174 Base-Backbone interact. energy: -0.416 local terms energy: -364.172789 where: bonds (distance) C4'-P energy: -68.088 bonds (distance) P-C4' energy: -77.432 flat angles C4'-P-C4' energy: -86.208 flat angles P-C4'-P energy: -52.952 tors. eta vs tors. theta energy: -79.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -797.856750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.856750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.856750 (E_RNA) where: Base-Base interactions energy: -496.897 where: short stacking energy: -224.850 Base-Backbone interact. energy: 4.407 local terms energy: -305.367148 where: bonds (distance) C4'-P energy: -71.641 bonds (distance) P-C4' energy: -70.395 flat angles C4'-P-C4' energy: -70.114 flat angles P-C4'-P energy: -48.036 tors. eta vs tors. theta energy: -45.181 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: 2 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -598.557498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.557498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.557498 (E_RNA) where: Base-Base interactions energy: -324.028 where: short stacking energy: -157.033 Base-Backbone interact. energy: 5.496 local terms energy: -280.025181 where: bonds (distance) C4'-P energy: -74.912 bonds (distance) P-C4' energy: -75.326 flat angles C4'-P-C4' energy: -70.145 flat angles P-C4'-P energy: -40.412 tors. eta vs tors. theta energy: -19.230 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: 93 Temperature: 1.300000 Total energy: -404.586715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.586715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.586715 (E_RNA) where: Base-Base interactions energy: -163.876 where: short stacking energy: -112.800 Base-Backbone interact. energy: -2.783 local terms energy: -237.927557 where: bonds (distance) C4'-P energy: -65.002 bonds (distance) P-C4' energy: -73.232 flat angles C4'-P-C4' energy: -63.134 flat angles P-C4'-P energy: -41.305 tors. eta vs tors. theta energy: 4.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -319.884570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.884570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.884570 (E_RNA) where: Base-Base interactions energy: -119.078 where: short stacking energy: -106.904 Base-Backbone interact. energy: 0.057 local terms energy: -200.862905 where: bonds (distance) C4'-P energy: -61.330 bonds (distance) P-C4' energy: -58.170 flat angles C4'-P-C4' energy: -57.858 flat angles P-C4'-P energy: -29.948 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: 5 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -1337.419933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.419933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.419933 (E_RNA) where: Base-Base interactions energy: -884.174 where: short stacking energy: -420.485 Base-Backbone interact. energy: 2.479 local terms energy: -455.725471 where: bonds (distance) C4'-P energy: -84.231 bonds (distance) P-C4' energy: -92.404 flat angles C4'-P-C4' energy: -89.711 flat angles P-C4'-P energy: -61.958 tors. eta vs tors. theta energy: -127.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -1272.996210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.996210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.996210 (E_RNA) where: Base-Base interactions energy: -857.233 where: short stacking energy: -395.096 Base-Backbone interact. energy: -0.777 local terms energy: -414.985519 where: bonds (distance) C4'-P energy: -73.451 bonds (distance) P-C4' energy: -84.328 flat angles C4'-P-C4' energy: -86.687 flat angles P-C4'-P energy: -49.670 tors. eta vs tors. theta energy: -120.848 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: 94 Temperature: 1.000000 Total energy: -1250.736997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.736997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.736997 (E_RNA) where: Base-Base interactions energy: -838.522 where: short stacking energy: -380.707 Base-Backbone interact. energy: -0.885 local terms energy: -411.330519 where: bonds (distance) C4'-P energy: -78.433 bonds (distance) P-C4' energy: -64.936 flat angles C4'-P-C4' energy: -91.997 flat angles P-C4'-P energy: -56.407 tors. eta vs tors. theta energy: -119.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -1141.868170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.868170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.868170 (E_RNA) where: Base-Base interactions energy: -775.488 where: short stacking energy: -320.978 Base-Backbone interact. energy: 2.597 local terms energy: -368.976839 where: bonds (distance) C4'-P energy: -68.666 bonds (distance) P-C4' energy: -92.163 flat angles C4'-P-C4' energy: -85.820 flat angles P-C4'-P energy: -47.271 tors. eta vs tors. theta energy: -75.057 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: 8 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -1086.651024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.651024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.651024 (E_RNA) where: Base-Base interactions energy: -715.943 where: short stacking energy: -311.845 Base-Backbone interact. energy: -1.034 local terms energy: -369.673851 where: bonds (distance) C4'-P energy: -71.171 bonds (distance) P-C4' energy: -71.277 flat angles C4'-P-C4' energy: -86.010 flat angles P-C4'-P energy: -55.565 tors. eta vs tors. theta energy: -85.651 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: 7 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -913.165560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.165560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.165560 (E_RNA) where: Base-Base interactions energy: -584.590 where: short stacking energy: -258.812 Base-Backbone interact. energy: -0.201 local terms energy: -328.374118 where: bonds (distance) C4'-P energy: -78.882 bonds (distance) P-C4' energy: -76.553 flat angles C4'-P-C4' energy: -78.465 flat angles P-C4'-P energy: -37.004 tors. eta vs tors. theta energy: -57.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -838.799780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.799780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.799780 (E_RNA) where: Base-Base interactions energy: -502.937 where: short stacking energy: -214.841 Base-Backbone interact. energy: -0.407 local terms energy: -335.455956 where: bonds (distance) C4'-P energy: -76.607 bonds (distance) P-C4' energy: -73.029 flat angles C4'-P-C4' energy: -78.872 flat angles P-C4'-P energy: -55.132 tors. eta vs tors. theta energy: -51.816 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: 2 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -656.926794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.926794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.926794 (E_RNA) where: Base-Base interactions energy: -385.527 where: short stacking energy: -161.059 Base-Backbone interact. energy: -1.566 local terms energy: -269.833314 where: bonds (distance) C4'-P energy: -73.348 bonds (distance) P-C4' energy: -69.571 flat angles C4'-P-C4' energy: -62.961 flat angles P-C4'-P energy: -29.175 tors. eta vs tors. theta energy: -34.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -344.442685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.442685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.442685 (E_RNA) where: Base-Base interactions energy: -127.099 where: short stacking energy: -100.559 Base-Backbone interact. energy: 2.378 local terms energy: -219.721154 where: bonds (distance) C4'-P energy: -70.962 bonds (distance) P-C4' energy: -61.624 flat angles C4'-P-C4' energy: -65.565 flat angles P-C4'-P energy: -29.823 tors. eta vs tors. theta energy: 8.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -328.954301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.954301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.954301 (E_RNA) where: Base-Base interactions energy: -119.554 where: short stacking energy: -91.845 Base-Backbone interact. energy: 2.347 local terms energy: -211.747653 where: bonds (distance) C4'-P energy: -64.366 bonds (distance) P-C4' energy: -67.330 flat angles C4'-P-C4' energy: -63.857 flat angles P-C4'-P energy: -23.103 tors. eta vs tors. theta energy: 6.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -1333.858921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.858921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.858921 (E_RNA) where: Base-Base interactions energy: -889.767 where: short stacking energy: -417.518 Base-Backbone interact. energy: -1.177 local terms energy: -442.915288 where: bonds (distance) C4'-P energy: -78.990 bonds (distance) P-C4' energy: -86.867 flat angles C4'-P-C4' energy: -101.101 flat angles P-C4'-P energy: -47.996 tors. eta vs tors. theta energy: -127.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -1294.107232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.107232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.107232 (E_RNA) where: Base-Base interactions energy: -878.326 where: short stacking energy: -354.924 Base-Backbone interact. energy: -0.034 local terms energy: -415.747400 where: bonds (distance) C4'-P energy: -79.163 bonds (distance) P-C4' energy: -80.481 flat angles C4'-P-C4' energy: -93.939 flat angles P-C4'-P energy: -53.709 tors. eta vs tors. theta energy: -108.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -1247.740814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.740814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.740814 (E_RNA) where: Base-Base interactions energy: -821.180 where: short stacking energy: -362.400 Base-Backbone interact. energy: -2.848 local terms energy: -423.712644 where: bonds (distance) C4'-P energy: -68.224 bonds (distance) P-C4' energy: -79.886 flat angles C4'-P-C4' energy: -93.859 flat angles P-C4'-P energy: -65.344 tors. eta vs tors. theta energy: -116.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -1114.417524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.417524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.417524 (E_RNA) where: Base-Base interactions energy: -765.543 where: short stacking energy: -294.560 Base-Backbone interact. energy: -2.448 local terms energy: -346.426312 where: bonds (distance) C4'-P energy: -60.010 bonds (distance) P-C4' energy: -83.459 flat angles C4'-P-C4' energy: -78.613 flat angles P-C4'-P energy: -48.800 tors. eta vs tors. theta energy: -75.544 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: 8 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -1075.310715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.310715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.310715 (E_RNA) where: Base-Base interactions energy: -726.634 where: short stacking energy: -328.630 Base-Backbone interact. energy: -1.098 local terms energy: -347.578347 where: bonds (distance) C4'-P energy: -72.123 bonds (distance) P-C4' energy: -55.302 flat angles C4'-P-C4' energy: -86.626 flat angles P-C4'-P energy: -39.963 tors. eta vs tors. theta energy: -93.564 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: 7 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -935.772204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.772204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.772204 (E_RNA) where: Base-Base interactions energy: -602.564 where: short stacking energy: -282.758 Base-Backbone interact. energy: -3.728 local terms energy: -329.480487 where: bonds (distance) C4'-P energy: -59.402 bonds (distance) P-C4' energy: -73.847 flat angles C4'-P-C4' energy: -77.121 flat angles P-C4'-P energy: -45.489 tors. eta vs tors. theta energy: -73.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -842.319295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.319295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.319295 (E_RNA) where: Base-Base interactions energy: -532.119 where: short stacking energy: -242.491 Base-Backbone interact. energy: -2.381 local terms energy: -307.819749 where: bonds (distance) C4'-P energy: -75.167 bonds (distance) P-C4' energy: -76.068 flat angles C4'-P-C4' energy: -56.037 flat angles P-C4'-P energy: -46.429 tors. eta vs tors. theta energy: -54.119 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: 2 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -628.095347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.095347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.095347 (E_RNA) where: Base-Base interactions energy: -343.206 where: short stacking energy: -181.861 Base-Backbone interact. energy: -0.935 local terms energy: -283.954227 where: bonds (distance) C4'-P energy: -70.273 bonds (distance) P-C4' energy: -72.703 flat angles C4'-P-C4' energy: -60.342 flat angles P-C4'-P energy: -45.827 tors. eta vs tors. theta energy: -34.810 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: 9, replica: 10 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -346.904189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.904189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.904189 (E_RNA) where: Base-Base interactions energy: -116.512 where: short stacking energy: -93.743 Base-Backbone interact. energy: -0.816 local terms energy: -229.575762 where: bonds (distance) C4'-P energy: -69.546 bonds (distance) P-C4' energy: -67.350 flat angles C4'-P-C4' energy: -55.796 flat angles P-C4'-P energy: -35.049 tors. eta vs tors. theta energy: -1.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -318.885404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.885404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.885404 (E_RNA) where: Base-Base interactions energy: -107.744 where: short stacking energy: -101.269 Base-Backbone interact. energy: 3.059 local terms energy: -214.200618 where: bonds (distance) C4'-P energy: -53.683 bonds (distance) P-C4' energy: -73.259 flat angles C4'-P-C4' energy: -64.871 flat angles P-C4'-P energy: -30.420 tors. eta vs tors. theta energy: 8.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -1306.159974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.159974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.159974 (E_RNA) where: Base-Base interactions energy: -882.436 where: short stacking energy: -406.114 Base-Backbone interact. energy: 3.234 local terms energy: -426.958131 where: bonds (distance) C4'-P energy: -73.932 bonds (distance) P-C4' energy: -73.768 flat angles C4'-P-C4' energy: -98.476 flat angles P-C4'-P energy: -57.472 tors. eta vs tors. theta energy: -123.309 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: 1 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -1318.343191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.343191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.343191 (E_RNA) where: Base-Base interactions energy: -883.824 where: short stacking energy: -381.061 Base-Backbone interact. energy: -1.432 local terms energy: -433.086851 where: bonds (distance) C4'-P energy: -88.642 bonds (distance) P-C4' energy: -78.266 flat angles C4'-P-C4' energy: -86.122 flat angles P-C4'-P energy: -60.380 tors. eta vs tors. theta energy: -119.678 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: 9 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -1258.618357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.618357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.618357 (E_RNA) where: Base-Base interactions energy: -841.011 where: short stacking energy: -375.249 Base-Backbone interact. energy: -1.948 local terms energy: -415.659352 where: bonds (distance) C4'-P energy: -78.165 bonds (distance) P-C4' energy: -73.023 flat angles C4'-P-C4' energy: -93.126 flat angles P-C4'-P energy: -51.480 tors. eta vs tors. theta energy: -119.865 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: 4, replica: 3 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -1137.995233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.995233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.995233 (E_RNA) where: Base-Base interactions energy: -772.012 where: short stacking energy: -319.903 Base-Backbone interact. energy: 4.295 local terms energy: -370.278125 where: bonds (distance) C4'-P energy: -75.282 bonds (distance) P-C4' energy: -77.540 flat angles C4'-P-C4' energy: -79.590 flat angles P-C4'-P energy: -51.141 tors. eta vs tors. theta energy: -86.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -1075.514269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.514269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.514269 (E_RNA) where: Base-Base interactions energy: -722.555 where: short stacking energy: -304.675 Base-Backbone interact. energy: -1.080 local terms energy: -351.879207 where: bonds (distance) C4'-P energy: -60.396 bonds (distance) P-C4' energy: -81.889 flat angles C4'-P-C4' energy: -70.534 flat angles P-C4'-P energy: -53.221 tors. eta vs tors. theta energy: -85.839 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: 7 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -918.643909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.643909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.643909 (E_RNA) where: Base-Base interactions energy: -585.656 where: short stacking energy: -271.971 Base-Backbone interact. energy: 0.618 local terms energy: -333.606408 where: bonds (distance) C4'-P energy: -79.376 bonds (distance) P-C4' energy: -73.737 flat angles C4'-P-C4' energy: -71.226 flat angles P-C4'-P energy: -44.422 tors. eta vs tors. theta energy: -64.846 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: 6 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -812.599205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.599205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.599205 (E_RNA) where: Base-Base interactions energy: -513.999 where: short stacking energy: -214.626 Base-Backbone interact. energy: 3.343 local terms energy: -301.943229 where: bonds (distance) C4'-P energy: -70.325 bonds (distance) P-C4' energy: -69.963 flat angles C4'-P-C4' energy: -78.200 flat angles P-C4'-P energy: -39.562 tors. eta vs tors. theta energy: -43.893 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: 2 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -622.738377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.738377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.738377 (E_RNA) where: Base-Base interactions energy: -354.757 where: short stacking energy: -164.280 Base-Backbone interact. energy: 0.055 local terms energy: -268.035836 where: bonds (distance) C4'-P energy: -58.093 bonds (distance) P-C4' energy: -75.551 flat angles C4'-P-C4' energy: -69.300 flat angles P-C4'-P energy: -40.725 tors. eta vs tors. theta energy: -24.367 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: 4 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -349.509000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.509000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.509000 (E_RNA) where: Base-Base interactions energy: -131.279 where: short stacking energy: -92.731 Base-Backbone interact. energy: -0.917 local terms energy: -217.313391 where: bonds (distance) C4'-P energy: -62.518 bonds (distance) P-C4' energy: -61.728 flat angles C4'-P-C4' energy: -64.989 flat angles P-C4'-P energy: -43.304 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: 10 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -333.097518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.097518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.097518 (E_RNA) where: Base-Base interactions energy: -111.398 where: short stacking energy: -98.436 Base-Backbone interact. energy: -1.315 local terms energy: -220.384088 where: bonds (distance) C4'-P energy: -62.809 bonds (distance) P-C4' energy: -73.968 flat angles C4'-P-C4' energy: -59.862 flat angles P-C4'-P energy: -32.676 tors. eta vs tors. theta energy: 8.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -1315.771677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.771677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.771677 (E_RNA) where: Base-Base interactions energy: -870.493 where: short stacking energy: -395.585 Base-Backbone interact. energy: 0.640 local terms energy: -445.918981 where: bonds (distance) C4'-P energy: -84.495 bonds (distance) P-C4' energy: -92.455 flat angles C4'-P-C4' energy: -90.300 flat angles P-C4'-P energy: -60.344 tors. eta vs tors. theta energy: -118.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -1302.429068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.429068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.429068 (E_RNA) where: Base-Base interactions energy: -903.221 where: short stacking energy: -381.408 Base-Backbone interact. energy: -1.169 local terms energy: -398.039007 where: bonds (distance) C4'-P energy: -78.534 bonds (distance) P-C4' energy: -73.378 flat angles C4'-P-C4' energy: -86.830 flat angles P-C4'-P energy: -47.751 tors. eta vs tors. theta energy: -111.546 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: 97 Temperature: 1.000000 Total energy: -1250.048275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.048275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.048275 (E_RNA) where: Base-Base interactions energy: -838.021 where: short stacking energy: -391.098 Base-Backbone interact. energy: -0.756 local terms energy: -411.271374 where: bonds (distance) C4'-P energy: -78.771 bonds (distance) P-C4' energy: -81.905 flat angles C4'-P-C4' energy: -84.094 flat angles P-C4'-P energy: -49.730 tors. eta vs tors. theta energy: -116.772 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: 97 Temperature: 1.050000 Total energy: -1152.283110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.283110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.283110 (E_RNA) where: Base-Base interactions energy: -789.419 where: short stacking energy: -335.574 Base-Backbone interact. energy: -0.573 local terms energy: -362.290857 where: bonds (distance) C4'-P energy: -71.769 bonds (distance) P-C4' energy: -72.724 flat angles C4'-P-C4' energy: -77.988 flat angles P-C4'-P energy: -52.367 tors. eta vs tors. theta energy: -87.443 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: 8 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -1085.434929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.434929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.434929 (E_RNA) where: Base-Base interactions energy: -710.172 where: short stacking energy: -309.324 Base-Backbone interact. energy: -0.319 local terms energy: -374.944254 where: bonds (distance) C4'-P energy: -85.461 bonds (distance) P-C4' energy: -77.807 flat angles C4'-P-C4' energy: -66.550 flat angles P-C4'-P energy: -55.931 tors. eta vs tors. theta energy: -89.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -911.871893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.871893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.871893 (E_RNA) where: Base-Base interactions energy: -594.234 where: short stacking energy: -277.370 Base-Backbone interact. energy: -1.452 local terms energy: -316.185786 where: bonds (distance) C4'-P energy: -67.620 bonds (distance) P-C4' energy: -64.265 flat angles C4'-P-C4' energy: -79.221 flat angles P-C4'-P energy: -47.080 tors. eta vs tors. theta energy: -58.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -756.059452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.059452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.059452 (E_RNA) where: Base-Base interactions energy: -466.373 where: short stacking energy: -209.662 Base-Backbone interact. energy: -3.091 local terms energy: -286.594940 where: bonds (distance) C4'-P energy: -67.965 bonds (distance) P-C4' energy: -75.338 flat angles C4'-P-C4' energy: -59.724 flat angles P-C4'-P energy: -50.908 tors. eta vs tors. theta energy: -32.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -599.862087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.862087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.862087 (E_RNA) where: Base-Base interactions energy: -333.975 where: short stacking energy: -171.625 Base-Backbone interact. energy: -1.939 local terms energy: -263.947812 where: bonds (distance) C4'-P energy: -49.178 bonds (distance) P-C4' energy: -82.252 flat angles C4'-P-C4' energy: -70.755 flat angles P-C4'-P energy: -38.735 tors. eta vs tors. theta energy: -23.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -350.283943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.283943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.283943 (E_RNA) where: Base-Base interactions energy: -135.462 where: short stacking energy: -116.561 Base-Backbone interact. energy: 3.978 local terms energy: -218.800335 where: bonds (distance) C4'-P energy: -79.981 bonds (distance) P-C4' energy: -57.786 flat angles C4'-P-C4' energy: -61.198 flat angles P-C4'-P energy: -27.838 tors. eta vs tors. theta energy: 8.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -314.568359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.568359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.568359 (E_RNA) where: Base-Base interactions energy: -117.808 where: short stacking energy: -98.505 Base-Backbone interact. energy: 2.360 local terms energy: -199.120524 where: bonds (distance) C4'-P energy: -59.550 bonds (distance) P-C4' energy: -67.048 flat angles C4'-P-C4' energy: -51.852 flat angles P-C4'-P energy: -29.522 tors. eta vs tors. theta energy: 8.852 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: 1, replica: 5 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -1307.053744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.053744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.053744 (E_RNA) where: Base-Base interactions energy: -867.637 where: short stacking energy: -429.960 Base-Backbone interact. energy: -1.035 local terms energy: -438.381228 where: bonds (distance) C4'-P energy: -85.806 bonds (distance) P-C4' energy: -71.455 flat angles C4'-P-C4' energy: -91.998 flat angles P-C4'-P energy: -63.312 tors. eta vs tors. theta energy: -125.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -1296.771184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.771184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.771184 (E_RNA) where: Base-Base interactions energy: -891.739 where: short stacking energy: -386.532 Base-Backbone interact. energy: -3.479 local terms energy: -401.553199 where: bonds (distance) C4'-P energy: -70.961 bonds (distance) P-C4' energy: -69.849 flat angles C4'-P-C4' energy: -89.957 flat angles P-C4'-P energy: -59.248 tors. eta vs tors. theta energy: -111.538 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: 9 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -1267.900226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.900226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.900226 (E_RNA) where: Base-Base interactions energy: -860.215 where: short stacking energy: -379.086 Base-Backbone interact. energy: -0.292 local terms energy: -407.393286 where: bonds (distance) C4'-P energy: -70.897 bonds (distance) P-C4' energy: -80.829 flat angles C4'-P-C4' energy: -90.318 flat angles P-C4'-P energy: -47.854 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: 4, replica: 3 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -1142.469109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.469109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.469109 (E_RNA) where: Base-Base interactions energy: -758.360 where: short stacking energy: -321.929 Base-Backbone interact. energy: -2.645 local terms energy: -381.464536 where: bonds (distance) C4'-P energy: -86.243 bonds (distance) P-C4' energy: -81.904 flat angles C4'-P-C4' energy: -92.895 flat angles P-C4'-P energy: -34.001 tors. eta vs tors. theta energy: -86.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -1082.260869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.260869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.260869 (E_RNA) where: Base-Base interactions energy: -737.903 where: short stacking energy: -318.028 Base-Backbone interact. energy: 2.798 local terms energy: -347.155578 where: bonds (distance) C4'-P energy: -55.036 bonds (distance) P-C4' energy: -68.608 flat angles C4'-P-C4' energy: -75.977 flat angles P-C4'-P energy: -54.893 tors. eta vs tors. theta energy: -92.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -906.760126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.760126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.760126 (E_RNA) where: Base-Base interactions energy: -566.978 where: short stacking energy: -275.081 Base-Backbone interact. energy: 0.569 local terms energy: -340.351190 where: bonds (distance) C4'-P energy: -71.800 bonds (distance) P-C4' energy: -70.260 flat angles C4'-P-C4' energy: -80.375 flat angles P-C4'-P energy: -49.611 tors. eta vs tors. theta energy: -68.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -746.465810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.465810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.465810 (E_RNA) where: Base-Base interactions energy: -460.605 where: short stacking energy: -240.671 Base-Backbone interact. energy: 2.728 local terms energy: -288.589086 where: bonds (distance) C4'-P energy: -61.011 bonds (distance) P-C4' energy: -74.510 flat angles C4'-P-C4' energy: -65.484 flat angles P-C4'-P energy: -43.268 tors. eta vs tors. theta energy: -44.316 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: 2 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -621.856466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.856466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.856466 (E_RNA) where: Base-Base interactions energy: -335.897 where: short stacking energy: -165.787 Base-Backbone interact. energy: -2.578 local terms energy: -283.381509 where: bonds (distance) C4'-P energy: -80.537 bonds (distance) P-C4' energy: -75.035 flat angles C4'-P-C4' energy: -51.829 flat angles P-C4'-P energy: -48.887 tors. eta vs tors. theta energy: -27.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -341.442117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.442117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.442117 (E_RNA) where: Base-Base interactions energy: -107.093 where: short stacking energy: -102.558 Base-Backbone interact. energy: -3.364 local terms energy: -230.984954 where: bonds (distance) C4'-P energy: -69.160 bonds (distance) P-C4' energy: -77.116 flat angles C4'-P-C4' energy: -57.906 flat angles P-C4'-P energy: -35.205 tors. eta vs tors. theta energy: 8.402 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: 10, replica: 4 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -328.574041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.574041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.574041 (E_RNA) where: Base-Base interactions energy: -125.974 where: short stacking energy: -78.057 Base-Backbone interact. energy: 1.147 local terms energy: -203.746346 where: bonds (distance) C4'-P energy: -60.679 bonds (distance) P-C4' energy: -64.135 flat angles C4'-P-C4' energy: -46.136 flat angles P-C4'-P energy: -47.015 tors. eta vs tors. theta energy: 14.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -1308.695048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.695048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.695048 (E_RNA) where: Base-Base interactions energy: -866.944 where: short stacking energy: -408.630 Base-Backbone interact. energy: -1.923 local terms energy: -439.828541 where: bonds (distance) C4'-P energy: -70.710 bonds (distance) P-C4' energy: -89.356 flat angles C4'-P-C4' energy: -95.840 flat angles P-C4'-P energy: -57.446 tors. eta vs tors. theta energy: -126.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -1271.388530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.388530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.388530 (E_RNA) where: Base-Base interactions energy: -849.124 where: short stacking energy: -368.627 Base-Backbone interact. energy: -1.151 local terms energy: -421.114301 where: bonds (distance) C4'-P energy: -84.092 bonds (distance) P-C4' energy: -77.373 flat angles C4'-P-C4' energy: -87.347 flat angles P-C4'-P energy: -63.929 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: 3, replica: 9 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -1260.746314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.746314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.746314 (E_RNA) where: Base-Base interactions energy: -857.507 where: short stacking energy: -393.585 Base-Backbone interact. energy: -1.276 local terms energy: -401.963824 where: bonds (distance) C4'-P energy: -54.883 bonds (distance) P-C4' energy: -84.283 flat angles C4'-P-C4' energy: -90.087 flat angles P-C4'-P energy: -46.802 tors. eta vs tors. theta energy: -125.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -1135.399552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.399552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.399552 (E_RNA) where: Base-Base interactions energy: -761.910 where: short stacking energy: -327.477 Base-Backbone interact. energy: -2.893 local terms energy: -370.596541 where: bonds (distance) C4'-P energy: -73.432 bonds (distance) P-C4' energy: -71.449 flat angles C4'-P-C4' energy: -86.540 flat angles P-C4'-P energy: -48.979 tors. eta vs tors. theta energy: -90.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -1061.837367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.837367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.837367 (E_RNA) where: Base-Base interactions energy: -706.033 where: short stacking energy: -291.129 Base-Backbone interact. energy: -1.369 local terms energy: -354.434740 where: bonds (distance) C4'-P energy: -74.120 bonds (distance) P-C4' energy: -76.516 flat angles C4'-P-C4' energy: -83.879 flat angles P-C4'-P energy: -43.682 tors. eta vs tors. theta energy: -76.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -880.502257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.502257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.502257 (E_RNA) where: Base-Base interactions energy: -554.068 where: short stacking energy: -263.337 Base-Backbone interact. energy: -2.464 local terms energy: -323.970378 where: bonds (distance) C4'-P energy: -63.961 bonds (distance) P-C4' energy: -73.817 flat angles C4'-P-C4' energy: -75.627 flat angles P-C4'-P energy: -58.160 tors. eta vs tors. theta energy: -52.406 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: 6 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -779.054223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.054223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.054223 (E_RNA) where: Base-Base interactions energy: -450.023 where: short stacking energy: -201.266 Base-Backbone interact. energy: -0.793 local terms energy: -328.238482 where: bonds (distance) C4'-P energy: -75.421 bonds (distance) P-C4' energy: -90.032 flat angles C4'-P-C4' energy: -75.027 flat angles P-C4'-P energy: -42.369 tors. eta vs tors. theta energy: -45.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -600.812055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.812055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.812055 (E_RNA) where: Base-Base interactions energy: -359.730 where: short stacking energy: -186.360 Base-Backbone interact. energy: -0.931 local terms energy: -240.150934 where: bonds (distance) C4'-P energy: -69.555 bonds (distance) P-C4' energy: -57.674 flat angles C4'-P-C4' energy: -66.569 flat angles P-C4'-P energy: -24.926 tors. eta vs tors. theta energy: -21.427 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: 10 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -356.670908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.670908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.670908 (E_RNA) where: Base-Base interactions energy: -129.123 where: short stacking energy: -105.666 Base-Backbone interact. energy: -2.121 local terms energy: -225.427147 where: bonds (distance) C4'-P energy: -78.008 bonds (distance) P-C4' energy: -66.008 flat angles C4'-P-C4' energy: -51.789 flat angles P-C4'-P energy: -31.982 tors. eta vs tors. theta energy: 2.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -324.816826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.816826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.816826 (E_RNA) where: Base-Base interactions energy: -122.071 where: short stacking energy: -80.024 Base-Backbone interact. energy: 0.144 local terms energy: -202.889373 where: bonds (distance) C4'-P energy: -61.887 bonds (distance) P-C4' energy: -58.601 flat angles C4'-P-C4' energy: -69.942 flat angles P-C4'-P energy: -29.605 tors. eta vs tors. theta energy: 17.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -1337.357574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.357574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.357574 (E_RNA) where: Base-Base interactions energy: -869.112 where: short stacking energy: -412.697 Base-Backbone interact. energy: -1.120 local terms energy: -467.125617 where: bonds (distance) C4'-P energy: -86.385 bonds (distance) P-C4' energy: -92.568 flat angles C4'-P-C4' energy: -92.203 flat angles P-C4'-P energy: -67.202 tors. eta vs tors. theta energy: -128.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -1297.088860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.088860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.088860 (E_RNA) where: Base-Base interactions energy: -895.957 where: short stacking energy: -382.302 Base-Backbone interact. energy: 1.774 local terms energy: -402.906572 where: bonds (distance) C4'-P energy: -73.711 bonds (distance) P-C4' energy: -78.974 flat angles C4'-P-C4' energy: -91.128 flat angles P-C4'-P energy: -48.598 tors. eta vs tors. theta energy: -110.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -1250.416278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.416278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.416278 (E_RNA) where: Base-Base interactions energy: -822.071 where: short stacking energy: -367.120 Base-Backbone interact. energy: -0.651 local terms energy: -427.694386 where: bonds (distance) C4'-P energy: -89.415 bonds (distance) P-C4' energy: -82.301 flat angles C4'-P-C4' energy: -87.916 flat angles P-C4'-P energy: -57.273 tors. eta vs tors. theta energy: -110.789 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: 4, replica: 3 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -1166.390263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.390263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.390263 (E_RNA) where: Base-Base interactions energy: -780.334 where: short stacking energy: -328.437 Base-Backbone interact. energy: -1.060 local terms energy: -384.996456 where: bonds (distance) C4'-P energy: -71.149 bonds (distance) P-C4' energy: -76.000 flat angles C4'-P-C4' energy: -87.423 flat angles P-C4'-P energy: -57.779 tors. eta vs tors. theta energy: -92.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -1095.081737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.081737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.081737 (E_RNA) where: Base-Base interactions energy: -727.195 where: short stacking energy: -299.365 Base-Backbone interact. energy: -5.127 local terms energy: -362.759875 where: bonds (distance) C4'-P energy: -70.073 bonds (distance) P-C4' energy: -70.320 flat angles C4'-P-C4' energy: -83.257 flat angles P-C4'-P energy: -55.153 tors. eta vs tors. theta energy: -83.956 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: 7 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -895.098603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.098603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.098603 (E_RNA) where: Base-Base interactions energy: -565.917 where: short stacking energy: -272.234 Base-Backbone interact. energy: -0.466 local terms energy: -328.715911 where: bonds (distance) C4'-P energy: -62.426 bonds (distance) P-C4' energy: -69.936 flat angles C4'-P-C4' energy: -79.856 flat angles P-C4'-P energy: -48.702 tors. eta vs tors. theta energy: -67.796 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: 100 Temperature: 1.200000 Total energy: -730.283308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.283308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.283308 (E_RNA) where: Base-Base interactions energy: -448.338 where: short stacking energy: -201.436 Base-Backbone interact. energy: -0.699 local terms energy: -281.246907 where: bonds (distance) C4'-P energy: -56.620 bonds (distance) P-C4' energy: -73.704 flat angles C4'-P-C4' energy: -67.127 flat angles P-C4'-P energy: -48.929 tors. eta vs tors. theta energy: -34.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -495.068033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.068033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.068033 (E_RNA) where: Base-Base interactions energy: -249.070 where: short stacking energy: -140.225 Base-Backbone interact. energy: -0.480 local terms energy: -245.517228 where: bonds (distance) C4'-P energy: -71.271 bonds (distance) P-C4' energy: -67.398 flat angles C4'-P-C4' energy: -63.393 flat angles P-C4'-P energy: -36.447 tors. eta vs tors. theta energy: -7.009 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: 4 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -348.467224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.467224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.467224 (E_RNA) where: Base-Base interactions energy: -122.484 where: short stacking energy: -100.590 Base-Backbone interact. energy: 2.129 local terms energy: -228.111980 where: bonds (distance) C4'-P energy: -64.081 bonds (distance) P-C4' energy: -70.610 flat angles C4'-P-C4' energy: -57.111 flat angles P-C4'-P energy: -45.758 tors. eta vs tors. theta energy: 9.448 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: 10, replica: 10 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -339.003906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.003906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.003906 (E_RNA) where: Base-Base interactions energy: -126.183 where: short stacking energy: -113.971 Base-Backbone interact. energy: 0.952 local terms energy: -213.772321 where: bonds (distance) C4'-P energy: -65.301 bonds (distance) P-C4' energy: -56.666 flat angles C4'-P-C4' energy: -54.218 flat angles P-C4'-P energy: -36.384 tors. eta vs tors. theta energy: -1.202 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: 5 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -1318.745607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.745607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.745607 (E_RNA) where: Base-Base interactions energy: -875.519 where: short stacking energy: -412.878 Base-Backbone interact. energy: -1.847 local terms energy: -441.379203 where: bonds (distance) C4'-P energy: -83.186 bonds (distance) P-C4' energy: -88.068 flat angles C4'-P-C4' energy: -83.473 flat angles P-C4'-P energy: -55.603 tors. eta vs tors. theta energy: -131.049 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: 1 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -1290.917480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.917480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.917480 (E_RNA) where: Base-Base interactions energy: -863.956 where: short stacking energy: -365.963 Base-Backbone interact. energy: -2.557 local terms energy: -424.404162 where: bonds (distance) C4'-P energy: -83.630 bonds (distance) P-C4' energy: -82.304 flat angles C4'-P-C4' energy: -93.675 flat angles P-C4'-P energy: -60.779 tors. eta vs tors. theta energy: -104.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -1281.500839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.500839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.500839 (E_RNA) where: Base-Base interactions energy: -841.783 where: short stacking energy: -400.178 Base-Backbone interact. energy: -1.811 local terms energy: -437.906715 where: bonds (distance) C4'-P energy: -74.671 bonds (distance) P-C4' energy: -83.577 flat angles C4'-P-C4' energy: -85.297 flat angles P-C4'-P energy: -62.930 tors. eta vs tors. theta energy: -131.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -1155.449495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.449495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.449495 (E_RNA) where: Base-Base interactions energy: -774.721 where: short stacking energy: -343.949 Base-Backbone interact. energy: -1.174 local terms energy: -379.554623 where: bonds (distance) C4'-P energy: -79.219 bonds (distance) P-C4' energy: -69.845 flat angles C4'-P-C4' energy: -94.278 flat angles P-C4'-P energy: -46.471 tors. eta vs tors. theta energy: -89.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -1134.017636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.017636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.017636 (E_RNA) where: Base-Base interactions energy: -761.909 where: short stacking energy: -318.305 Base-Backbone interact. energy: -1.903 local terms energy: -370.206101 where: bonds (distance) C4'-P energy: -81.297 bonds (distance) P-C4' energy: -66.457 flat angles C4'-P-C4' energy: -82.013 flat angles P-C4'-P energy: -50.948 tors. eta vs tors. theta energy: -89.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -867.550699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.550699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.550699 (E_RNA) where: Base-Base interactions energy: -544.305 where: short stacking energy: -244.442 Base-Backbone interact. energy: -2.506 local terms energy: -320.740134 where: bonds (distance) C4'-P energy: -62.514 bonds (distance) P-C4' energy: -79.699 flat angles C4'-P-C4' energy: -73.436 flat angles P-C4'-P energy: -51.622 tors. eta vs tors. theta energy: -53.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -744.728139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.728139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.728139 (E_RNA) where: Base-Base interactions energy: -442.187 where: short stacking energy: -230.606 Base-Backbone interact. energy: -0.793 local terms energy: -301.749014 where: bonds (distance) C4'-P energy: -74.414 bonds (distance) P-C4' energy: -76.538 flat angles C4'-P-C4' energy: -70.111 flat angles P-C4'-P energy: -36.927 tors. eta vs tors. theta energy: -43.759 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: 2 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -538.629235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.629235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.629235 (E_RNA) where: Base-Base interactions energy: -302.232 where: short stacking energy: -151.610 Base-Backbone interact. energy: -0.346 local terms energy: -236.051339 where: bonds (distance) C4'-P energy: -63.557 bonds (distance) P-C4' energy: -72.227 flat angles C4'-P-C4' energy: -70.206 flat angles P-C4'-P energy: -28.415 tors. eta vs tors. theta energy: -1.647 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: 4 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -345.763876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.763876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.763876 (E_RNA) where: Base-Base interactions energy: -130.996 where: short stacking energy: -98.247 Base-Backbone interact. energy: -4.778 local terms energy: -209.989457 where: bonds (distance) C4'-P energy: -61.009 bonds (distance) P-C4' energy: -69.503 flat angles C4'-P-C4' energy: -62.500 flat angles P-C4'-P energy: -34.535 tors. eta vs tors. theta energy: 17.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -312.606985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.606985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.606985 (E_RNA) where: Base-Base interactions energy: -98.487 where: short stacking energy: -91.418 Base-Backbone interact. energy: -0.444 local terms energy: -213.675877 where: bonds (distance) C4'-P energy: -65.455 bonds (distance) P-C4' energy: -69.064 flat angles C4'-P-C4' energy: -50.442 flat angles P-C4'-P energy: -49.993 tors. eta vs tors. theta energy: 21.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -1324.055041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.055041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.055041 (E_RNA) where: Base-Base interactions energy: -889.931 where: short stacking energy: -390.207 Base-Backbone interact. energy: -1.397 local terms energy: -432.727178 where: bonds (distance) C4'-P energy: -81.570 bonds (distance) P-C4' energy: -83.640 flat angles C4'-P-C4' energy: -90.921 flat angles P-C4'-P energy: -62.627 tors. eta vs tors. theta energy: -113.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -1293.268716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.268716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.268716 (E_RNA) where: Base-Base interactions energy: -859.576 where: short stacking energy: -411.896 Base-Backbone interact. energy: 1.674 local terms energy: -435.366396 where: bonds (distance) C4'-P energy: -75.437 bonds (distance) P-C4' energy: -82.622 flat angles C4'-P-C4' energy: -92.752 flat angles P-C4'-P energy: -61.419 tors. eta vs tors. theta energy: -123.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -1233.774081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.774081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.774081 (E_RNA) where: Base-Base interactions energy: -816.295 where: short stacking energy: -359.598 Base-Backbone interact. energy: -0.162 local terms energy: -417.317991 where: bonds (distance) C4'-P energy: -84.709 bonds (distance) P-C4' energy: -73.345 flat angles C4'-P-C4' energy: -86.024 flat angles P-C4'-P energy: -61.335 tors. eta vs tors. theta energy: -111.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -1138.867996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.867996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.867996 (E_RNA) where: Base-Base interactions energy: -761.054 where: short stacking energy: -329.509 Base-Backbone interact. energy: -1.942 local terms energy: -375.871079 where: bonds (distance) C4'-P energy: -76.842 bonds (distance) P-C4' energy: -73.909 flat angles C4'-P-C4' energy: -84.433 flat angles P-C4'-P energy: -45.071 tors. eta vs tors. theta energy: -95.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -1101.827276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.827276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.827276 (E_RNA) where: Base-Base interactions energy: -761.213 where: short stacking energy: -291.885 Base-Backbone interact. energy: -2.948 local terms energy: -337.665913 where: bonds (distance) C4'-P energy: -74.730 bonds (distance) P-C4' energy: -76.409 flat angles C4'-P-C4' energy: -70.009 flat angles P-C4'-P energy: -47.621 tors. eta vs tors. theta energy: -68.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -914.818614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.818614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.818614 (E_RNA) where: Base-Base interactions energy: -557.331 where: short stacking energy: -261.756 Base-Backbone interact. energy: -1.116 local terms energy: -356.372475 where: bonds (distance) C4'-P energy: -77.945 bonds (distance) P-C4' energy: -73.466 flat angles C4'-P-C4' energy: -79.450 flat angles P-C4'-P energy: -55.028 tors. eta vs tors. theta energy: -70.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -710.070726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.070726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.070726 (E_RNA) where: Base-Base interactions energy: -418.058 where: short stacking energy: -198.250 Base-Backbone interact. energy: 0.907 local terms energy: -292.919283 where: bonds (distance) C4'-P energy: -71.161 bonds (distance) P-C4' energy: -75.240 flat angles C4'-P-C4' energy: -63.132 flat angles P-C4'-P energy: -45.582 tors. eta vs tors. theta energy: -37.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -569.562205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.562205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.562205 (E_RNA) where: Base-Base interactions energy: -339.803 where: short stacking energy: -179.118 Base-Backbone interact. energy: -2.628 local terms energy: -227.131565 where: bonds (distance) C4'-P energy: -61.084 bonds (distance) P-C4' energy: -55.530 flat angles C4'-P-C4' energy: -60.877 flat angles P-C4'-P energy: -33.872 tors. eta vs tors. theta energy: -15.767 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: 10 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -375.199338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.199338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.199338 (E_RNA) where: Base-Base interactions energy: -137.904 where: short stacking energy: -118.053 Base-Backbone interact. energy: -1.106 local terms energy: -236.189776 where: bonds (distance) C4'-P energy: -54.262 bonds (distance) P-C4' energy: -76.648 flat angles C4'-P-C4' energy: -66.529 flat angles P-C4'-P energy: -38.683 tors. eta vs tors. theta energy: -0.067 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: 4 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -344.886738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.886738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.886738 (E_RNA) where: Base-Base interactions energy: -111.215 where: short stacking energy: -100.887 Base-Backbone interact. energy: -0.601 local terms energy: -233.070715 where: bonds (distance) C4'-P energy: -66.541 bonds (distance) P-C4' energy: -78.748 flat angles C4'-P-C4' energy: -59.293 flat angles P-C4'-P energy: -29.261 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: 1 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -1319.112813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.112813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.112813 (E_RNA) where: Base-Base interactions energy: -899.884 where: short stacking energy: -381.198 Base-Backbone interact. energy: -0.713 local terms energy: -418.516064 where: bonds (distance) C4'-P energy: -74.192 bonds (distance) P-C4' energy: -78.216 flat angles C4'-P-C4' energy: -96.220 flat angles P-C4'-P energy: -59.366 tors. eta vs tors. theta energy: -110.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -1294.680999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.680999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.680999 (E_RNA) where: Base-Base interactions energy: -836.339 where: short stacking energy: -379.272 Base-Backbone interact. energy: -1.444 local terms energy: -456.898444 where: bonds (distance) C4'-P energy: -78.543 bonds (distance) P-C4' energy: -86.101 flat angles C4'-P-C4' energy: -98.394 flat angles P-C4'-P energy: -71.391 tors. eta vs tors. theta energy: -122.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -1250.869265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.869265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.869265 (E_RNA) where: Base-Base interactions energy: -846.848 where: short stacking energy: -375.968 Base-Backbone interact. energy: -1.124 local terms energy: -402.897095 where: bonds (distance) C4'-P energy: -71.319 bonds (distance) P-C4' energy: -87.242 flat angles C4'-P-C4' energy: -79.860 flat angles P-C4'-P energy: -51.073 tors. eta vs tors. theta energy: -113.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -1134.855822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.855822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.855822 (E_RNA) where: Base-Base interactions energy: -745.199 where: short stacking energy: -314.483 Base-Backbone interact. energy: -0.945 local terms energy: -388.712048 where: bonds (distance) C4'-P energy: -77.087 bonds (distance) P-C4' energy: -87.733 flat angles C4'-P-C4' energy: -82.388 flat angles P-C4'-P energy: -49.748 tors. eta vs tors. theta energy: -91.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -1158.034369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.034369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.034369 (E_RNA) where: Base-Base interactions energy: -777.140 where: short stacking energy: -313.173 Base-Backbone interact. energy: -2.729 local terms energy: -378.165211 where: bonds (distance) C4'-P energy: -67.213 bonds (distance) P-C4' energy: -74.230 flat angles C4'-P-C4' energy: -91.769 flat angles P-C4'-P energy: -62.946 tors. eta vs tors. theta energy: -82.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -815.294790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.294790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.294790 (E_RNA) where: Base-Base interactions energy: -506.844 where: short stacking energy: -262.405 Base-Backbone interact. energy: -1.822 local terms energy: -306.628917 where: bonds (distance) C4'-P energy: -58.709 bonds (distance) P-C4' energy: -71.621 flat angles C4'-P-C4' energy: -70.049 flat angles P-C4'-P energy: -53.118 tors. eta vs tors. theta energy: -53.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -675.910605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.910605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.910605 (E_RNA) where: Base-Base interactions energy: -391.539 where: short stacking energy: -195.854 Base-Backbone interact. energy: 0.806 local terms energy: -285.177357 where: bonds (distance) C4'-P energy: -72.205 bonds (distance) P-C4' energy: -68.399 flat angles C4'-P-C4' energy: -72.926 flat angles P-C4'-P energy: -40.889 tors. eta vs tors. theta energy: -30.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -607.153856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.153856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.153856 (E_RNA) where: Base-Base interactions energy: -320.230 where: short stacking energy: -167.872 Base-Backbone interact. energy: -0.482 local terms energy: -286.441760 where: bonds (distance) C4'-P energy: -67.705 bonds (distance) P-C4' energy: -78.954 flat angles C4'-P-C4' energy: -57.188 flat angles P-C4'-P energy: -56.343 tors. eta vs tors. theta energy: -26.253 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: 103 Temperature: 1.300000 Total energy: -333.309307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.309307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.309307 (E_RNA) where: Base-Base interactions energy: -127.594 where: short stacking energy: -99.774 Base-Backbone interact. energy: -0.378 local terms energy: -205.336521 where: bonds (distance) C4'-P energy: -52.526 bonds (distance) P-C4' energy: -76.559 flat angles C4'-P-C4' energy: -48.391 flat angles P-C4'-P energy: -35.917 tors. eta vs tors. theta energy: 8.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -320.502311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.502311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.502311 (E_RNA) where: Base-Base interactions energy: -114.805 where: short stacking energy: -97.195 Base-Backbone interact. energy: 1.070 local terms energy: -206.767318 where: bonds (distance) C4'-P energy: -70.218 bonds (distance) P-C4' energy: -53.712 flat angles C4'-P-C4' energy: -51.880 flat angles P-C4'-P energy: -48.419 tors. eta vs tors. theta energy: 17.463 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: 1 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -1342.621621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.621621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.621621 (E_RNA) where: Base-Base interactions energy: -905.546 where: short stacking energy: -387.482 Base-Backbone interact. energy: -1.405 local terms energy: -435.670140 where: bonds (distance) C4'-P energy: -83.321 bonds (distance) P-C4' energy: -84.241 flat angles C4'-P-C4' energy: -92.473 flat angles P-C4'-P energy: -60.493 tors. eta vs tors. theta energy: -115.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -1274.350965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.350965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.350965 (E_RNA) where: Base-Base interactions energy: -853.627 where: short stacking energy: -401.324 Base-Backbone interact. energy: -2.348 local terms energy: -418.376379 where: bonds (distance) C4'-P energy: -75.288 bonds (distance) P-C4' energy: -79.073 flat angles C4'-P-C4' energy: -87.904 flat angles P-C4'-P energy: -59.473 tors. eta vs tors. theta energy: -116.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -1211.282018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.282018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.282018 (E_RNA) where: Base-Base interactions energy: -798.969 where: short stacking energy: -353.308 Base-Backbone interact. energy: 0.232 local terms energy: -412.545175 where: bonds (distance) C4'-P energy: -71.244 bonds (distance) P-C4' energy: -84.061 flat angles C4'-P-C4' energy: -94.618 flat angles P-C4'-P energy: -60.272 tors. eta vs tors. theta energy: -102.351 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: 8 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -1191.502181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.502181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.502181 (E_RNA) where: Base-Base interactions energy: -789.758 where: short stacking energy: -361.792 Base-Backbone interact. energy: -0.763 local terms energy: -400.981092 where: bonds (distance) C4'-P energy: -67.116 bonds (distance) P-C4' energy: -88.444 flat angles C4'-P-C4' energy: -87.259 flat angles P-C4'-P energy: -61.970 tors. eta vs tors. theta energy: -96.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -1179.868195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.868195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.868195 (E_RNA) where: Base-Base interactions energy: -780.423 where: short stacking energy: -320.243 Base-Backbone interact. energy: -2.805 local terms energy: -396.640759 where: bonds (distance) C4'-P energy: -82.854 bonds (distance) P-C4' energy: -69.804 flat angles C4'-P-C4' energy: -89.747 flat angles P-C4'-P energy: -62.841 tors. eta vs tors. theta energy: -91.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -822.112098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.112098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.112098 (E_RNA) where: Base-Base interactions energy: -528.434 where: short stacking energy: -241.056 Base-Backbone interact. energy: -0.665 local terms energy: -293.013194 where: bonds (distance) C4'-P energy: -65.470 bonds (distance) P-C4' energy: -69.423 flat angles C4'-P-C4' energy: -67.206 flat angles P-C4'-P energy: -47.466 tors. eta vs tors. theta energy: -43.449 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: 7, replica: 6 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -719.518918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.518918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.518918 (E_RNA) where: Base-Base interactions energy: -408.566 where: short stacking energy: -176.736 Base-Backbone interact. energy: -1.318 local terms energy: -309.634396 where: bonds (distance) C4'-P energy: -68.665 bonds (distance) P-C4' energy: -82.067 flat angles C4'-P-C4' energy: -74.032 flat angles P-C4'-P energy: -52.597 tors. eta vs tors. theta energy: -32.274 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: 2 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -645.927255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.927255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.927255 (E_RNA) where: Base-Base interactions energy: -372.885 where: short stacking energy: -193.089 Base-Backbone interact. energy: -0.293 local terms energy: -272.748848 where: bonds (distance) C4'-P energy: -62.810 bonds (distance) P-C4' energy: -73.730 flat angles C4'-P-C4' energy: -71.514 flat angles P-C4'-P energy: -38.768 tors. eta vs tors. theta energy: -25.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -360.035859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.035859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.035859 (E_RNA) where: Base-Base interactions energy: -130.362 where: short stacking energy: -118.533 Base-Backbone interact. energy: -1.072 local terms energy: -228.601891 where: bonds (distance) C4'-P energy: -50.407 bonds (distance) P-C4' energy: -63.157 flat angles C4'-P-C4' energy: -67.416 flat angles P-C4'-P energy: -43.295 tors. eta vs tors. theta energy: -4.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -310.899100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -310.899100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -310.899100 (E_RNA) where: Base-Base interactions energy: -85.216 where: short stacking energy: -79.164 Base-Backbone interact. energy: 0.821 local terms energy: -226.503943 where: bonds (distance) C4'-P energy: -73.341 bonds (distance) P-C4' energy: -72.551 flat angles C4'-P-C4' energy: -50.412 flat angles P-C4'-P energy: -42.553 tors. eta vs tors. theta energy: 12.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -1301.601147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.601147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.601147 (E_RNA) where: Base-Base interactions energy: -883.596 where: short stacking energy: -383.738 Base-Backbone interact. energy: -1.140 local terms energy: -416.865256 where: bonds (distance) C4'-P energy: -80.774 bonds (distance) P-C4' energy: -82.283 flat angles C4'-P-C4' energy: -85.075 flat angles P-C4'-P energy: -58.680 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: 2, replica: 5 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -1270.721561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.721561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.721561 (E_RNA) where: Base-Base interactions energy: -842.887 where: short stacking energy: -399.244 Base-Backbone interact. energy: -0.820 local terms energy: -427.014506 where: bonds (distance) C4'-P energy: -77.487 bonds (distance) P-C4' energy: -88.612 flat angles C4'-P-C4' energy: -92.046 flat angles P-C4'-P energy: -47.200 tors. eta vs tors. theta energy: -121.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -1174.789701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.789701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.789701 (E_RNA) where: Base-Base interactions energy: -777.074 where: short stacking energy: -364.778 Base-Backbone interact. energy: -2.069 local terms energy: -395.647218 where: bonds (distance) C4'-P energy: -73.612 bonds (distance) P-C4' energy: -89.523 flat angles C4'-P-C4' energy: -85.064 flat angles P-C4'-P energy: -51.462 tors. eta vs tors. theta energy: -95.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -1175.477960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.477960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.477960 (E_RNA) where: Base-Base interactions energy: -796.390 where: short stacking energy: -334.248 Base-Backbone interact. energy: -1.298 local terms energy: -377.790077 where: bonds (distance) C4'-P energy: -68.709 bonds (distance) P-C4' energy: -68.778 flat angles C4'-P-C4' energy: -89.711 flat angles P-C4'-P energy: -51.767 tors. eta vs tors. theta energy: -98.824 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: 5, replica: 3 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -1120.675275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.675275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.675275 (E_RNA) where: Base-Base interactions energy: -743.264 where: short stacking energy: -307.190 Base-Backbone interact. energy: -4.463 local terms energy: -372.948163 where: bonds (distance) C4'-P energy: -74.043 bonds (distance) P-C4' energy: -86.240 flat angles C4'-P-C4' energy: -78.959 flat angles P-C4'-P energy: -50.765 tors. eta vs tors. theta energy: -82.940 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: 7 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -838.785736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.785736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.785736 (E_RNA) where: Base-Base interactions energy: -509.044 where: short stacking energy: -244.723 Base-Backbone interact. energy: -3.234 local terms energy: -326.507886 where: bonds (distance) C4'-P energy: -70.430 bonds (distance) P-C4' energy: -75.551 flat angles C4'-P-C4' energy: -73.630 flat angles P-C4'-P energy: -53.355 tors. eta vs tors. theta energy: -53.541 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: 6 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -682.720660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.720660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.720660 (E_RNA) where: Base-Base interactions energy: -404.760 where: short stacking energy: -208.892 Base-Backbone interact. energy: -1.890 local terms energy: -276.070429 where: bonds (distance) C4'-P energy: -59.101 bonds (distance) P-C4' energy: -74.610 flat angles C4'-P-C4' energy: -66.471 flat angles P-C4'-P energy: -38.759 tors. eta vs tors. theta energy: -37.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -586.118364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.118364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.118364 (E_RNA) where: Base-Base interactions energy: -310.281 where: short stacking energy: -157.375 Base-Backbone interact. energy: -1.420 local terms energy: -274.417688 where: bonds (distance) C4'-P energy: -66.768 bonds (distance) P-C4' energy: -82.244 flat angles C4'-P-C4' energy: -67.633 flat angles P-C4'-P energy: -35.361 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: 9, replica: 10 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -359.331122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.331122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.331122 (E_RNA) where: Base-Base interactions energy: -155.626 where: short stacking energy: -124.922 Base-Backbone interact. energy: 0.596 local terms energy: -204.301192 where: bonds (distance) C4'-P energy: -66.592 bonds (distance) P-C4' energy: -56.973 flat angles C4'-P-C4' energy: -66.373 flat angles P-C4'-P energy: -16.676 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: 10, replica: 4 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -325.031738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.031738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.031738 (E_RNA) where: Base-Base interactions energy: -114.825 where: short stacking energy: -92.276 Base-Backbone interact. energy: 0.373 local terms energy: -210.579377 where: bonds (distance) C4'-P energy: -59.427 bonds (distance) P-C4' energy: -77.405 flat angles C4'-P-C4' energy: -58.351 flat angles P-C4'-P energy: -27.064 tors. eta vs tors. theta energy: 11.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -1295.686388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.686388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.686388 (E_RNA) where: Base-Base interactions energy: -858.515 where: short stacking energy: -400.266 Base-Backbone interact. energy: 0.497 local terms energy: -437.667721 where: bonds (distance) C4'-P energy: -92.680 bonds (distance) P-C4' energy: -72.723 flat angles C4'-P-C4' energy: -88.325 flat angles P-C4'-P energy: -58.426 tors. eta vs tors. theta energy: -125.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -1285.707774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.707774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.707774 (E_RNA) where: Base-Base interactions energy: -871.486 where: short stacking energy: -382.978 Base-Backbone interact. energy: -1.175 local terms energy: -413.047208 where: bonds (distance) C4'-P energy: -79.815 bonds (distance) P-C4' energy: -90.790 flat angles C4'-P-C4' energy: -79.219 flat angles P-C4'-P energy: -55.464 tors. eta vs tors. theta energy: -107.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -1222.936247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.936247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.936247 (E_RNA) where: Base-Base interactions energy: -844.863 where: short stacking energy: -366.397 Base-Backbone interact. energy: -3.218 local terms energy: -374.854691 where: bonds (distance) C4'-P energy: -65.749 bonds (distance) P-C4' energy: -80.879 flat angles C4'-P-C4' energy: -79.906 flat angles P-C4'-P energy: -52.688 tors. eta vs tors. theta energy: -95.633 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: 106 Temperature: 1.050000 Total energy: -1160.860984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.860984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.860984 (E_RNA) where: Base-Base interactions energy: -776.550 where: short stacking energy: -331.881 Base-Backbone interact. energy: -1.575 local terms energy: -382.736608 where: bonds (distance) C4'-P energy: -75.371 bonds (distance) P-C4' energy: -82.472 flat angles C4'-P-C4' energy: -75.773 flat angles P-C4'-P energy: -58.048 tors. eta vs tors. theta energy: -91.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -1095.211652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.211652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.211652 (E_RNA) where: Base-Base interactions energy: -731.411 where: short stacking energy: -303.918 Base-Backbone interact. energy: -1.147 local terms energy: -362.653823 where: bonds (distance) C4'-P energy: -72.302 bonds (distance) P-C4' energy: -77.929 flat angles C4'-P-C4' energy: -78.797 flat angles P-C4'-P energy: -60.028 tors. eta vs tors. theta energy: -73.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -895.716981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.716981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.716981 (E_RNA) where: Base-Base interactions energy: -565.529 where: short stacking energy: -281.241 Base-Backbone interact. energy: -3.814 local terms energy: -326.374264 where: bonds (distance) C4'-P energy: -60.076 bonds (distance) P-C4' energy: -75.274 flat angles C4'-P-C4' energy: -68.620 flat angles P-C4'-P energy: -54.832 tors. eta vs tors. theta energy: -67.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -661.800014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.800014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.800014 (E_RNA) where: Base-Base interactions energy: -384.704 where: short stacking energy: -196.754 Base-Backbone interact. energy: -0.952 local terms energy: -276.143621 where: bonds (distance) C4'-P energy: -51.928 bonds (distance) P-C4' energy: -73.029 flat angles C4'-P-C4' energy: -68.766 flat angles P-C4'-P energy: -53.603 tors. eta vs tors. theta energy: -28.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -577.930506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.930506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.930506 (E_RNA) where: Base-Base interactions energy: -324.825 where: short stacking energy: -171.039 Base-Backbone interact. energy: -1.844 local terms energy: -251.261973 where: bonds (distance) C4'-P energy: -64.688 bonds (distance) P-C4' energy: -58.323 flat angles C4'-P-C4' energy: -59.741 flat angles P-C4'-P energy: -42.234 tors. eta vs tors. theta energy: -26.275 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: 4 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -338.195442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.195442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.195442 (E_RNA) where: Base-Base interactions energy: -117.206 where: short stacking energy: -100.646 Base-Backbone interact. energy: -0.568 local terms energy: -220.421693 where: bonds (distance) C4'-P energy: -52.318 bonds (distance) P-C4' energy: -76.632 flat angles C4'-P-C4' energy: -54.564 flat angles P-C4'-P energy: -39.584 tors. eta vs tors. theta energy: 2.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -358.262091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.262091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.262091 (E_RNA) where: Base-Base interactions energy: -115.847 where: short stacking energy: -92.298 Base-Backbone interact. energy: -0.912 local terms energy: -241.503015 where: bonds (distance) C4'-P energy: -69.533 bonds (distance) P-C4' energy: -69.814 flat angles C4'-P-C4' energy: -64.451 flat angles P-C4'-P energy: -33.187 tors. eta vs tors. theta energy: -4.519 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: 5 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -1297.248837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.248837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.248837 (E_RNA) where: Base-Base interactions energy: -859.251 where: short stacking energy: -415.868 Base-Backbone interact. energy: -0.340 local terms energy: -437.657524 where: bonds (distance) C4'-P energy: -77.370 bonds (distance) P-C4' energy: -79.609 flat angles C4'-P-C4' energy: -90.219 flat angles P-C4'-P energy: -66.227 tors. eta vs tors. theta energy: -124.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -1304.759161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.759161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.759161 (E_RNA) where: Base-Base interactions energy: -878.478 where: short stacking energy: -385.958 Base-Backbone interact. energy: -2.975 local terms energy: -423.305862 where: bonds (distance) C4'-P energy: -80.913 bonds (distance) P-C4' energy: -79.238 flat angles C4'-P-C4' energy: -88.205 flat angles P-C4'-P energy: -69.820 tors. eta vs tors. theta energy: -105.131 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: 8 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -1224.069939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.069939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.069939 (E_RNA) where: Base-Base interactions energy: -836.744 where: short stacking energy: -362.879 Base-Backbone interact. energy: 2.706 local terms energy: -390.032378 where: bonds (distance) C4'-P energy: -81.096 bonds (distance) P-C4' energy: -74.064 flat angles C4'-P-C4' energy: -77.570 flat angles P-C4'-P energy: -59.467 tors. eta vs tors. theta energy: -97.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -1177.228130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.228130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.228130 (E_RNA) where: Base-Base interactions energy: -777.599 where: short stacking energy: -338.876 Base-Backbone interact. energy: -4.333 local terms energy: -395.296457 where: bonds (distance) C4'-P energy: -70.529 bonds (distance) P-C4' energy: -69.164 flat angles C4'-P-C4' energy: -84.035 flat angles P-C4'-P energy: -56.370 tors. eta vs tors. theta energy: -115.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -1100.190929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.190929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.190929 (E_RNA) where: Base-Base interactions energy: -756.166 where: short stacking energy: -320.114 Base-Backbone interact. energy: -0.614 local terms energy: -343.411292 where: bonds (distance) C4'-P energy: -70.256 bonds (distance) P-C4' energy: -69.481 flat angles C4'-P-C4' energy: -77.133 flat angles P-C4'-P energy: -40.749 tors. eta vs tors. theta energy: -85.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -891.305796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.305796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.305796 (E_RNA) where: Base-Base interactions energy: -558.121 where: short stacking energy: -254.885 Base-Backbone interact. energy: 0.811 local terms energy: -333.995937 where: bonds (distance) C4'-P energy: -68.668 bonds (distance) P-C4' energy: -68.018 flat angles C4'-P-C4' energy: -83.227 flat angles P-C4'-P energy: -50.525 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: 6 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -689.301929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.301929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.301929 (E_RNA) where: Base-Base interactions energy: -409.047 where: short stacking energy: -218.483 Base-Backbone interact. energy: -1.946 local terms energy: -278.308564 where: bonds (distance) C4'-P energy: -69.197 bonds (distance) P-C4' energy: -65.340 flat angles C4'-P-C4' energy: -59.948 flat angles P-C4'-P energy: -40.299 tors. eta vs tors. theta energy: -43.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -587.674029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.674029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.674029 (E_RNA) where: Base-Base interactions energy: -315.616 where: short stacking energy: -143.821 Base-Backbone interact. energy: -1.750 local terms energy: -270.308021 where: bonds (distance) C4'-P energy: -80.350 bonds (distance) P-C4' energy: -59.457 flat angles C4'-P-C4' energy: -69.523 flat angles P-C4'-P energy: -40.648 tors. eta vs tors. theta energy: -20.328 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: 4 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -349.386365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.386365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.386365 (E_RNA) where: Base-Base interactions energy: -122.300 where: short stacking energy: -109.249 Base-Backbone interact. energy: -2.193 local terms energy: -224.892678 where: bonds (distance) C4'-P energy: -64.418 bonds (distance) P-C4' energy: -73.196 flat angles C4'-P-C4' energy: -56.897 flat angles P-C4'-P energy: -42.361 tors. eta vs tors. theta energy: 11.979 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: 10 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -331.582938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.582938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.582938 (E_RNA) where: Base-Base interactions energy: -124.071 where: short stacking energy: -102.203 Base-Backbone interact. energy: 0.447 local terms energy: -207.958907 where: bonds (distance) C4'-P energy: -60.954 bonds (distance) P-C4' energy: -78.806 flat angles C4'-P-C4' energy: -52.758 flat angles P-C4'-P energy: -27.236 tors. eta vs tors. theta energy: 11.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -1319.132846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.132846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.132846 (E_RNA) where: Base-Base interactions energy: -859.398 where: short stacking energy: -406.469 Base-Backbone interact. energy: -0.927 local terms energy: -458.807499 where: bonds (distance) C4'-P energy: -85.272 bonds (distance) P-C4' energy: -77.560 flat angles C4'-P-C4' energy: -92.113 flat angles P-C4'-P energy: -74.546 tors. eta vs tors. theta energy: -129.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -1296.415368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.415368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.415368 (E_RNA) where: Base-Base interactions energy: -871.291 where: short stacking energy: -384.680 Base-Backbone interact. energy: -0.405 local terms energy: -424.719836 where: bonds (distance) C4'-P energy: -76.758 bonds (distance) P-C4' energy: -70.692 flat angles C4'-P-C4' energy: -94.950 flat angles P-C4'-P energy: -57.354 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: 8 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -1222.305225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.305225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.305225 (E_RNA) where: Base-Base interactions energy: -814.608 where: short stacking energy: -347.666 Base-Backbone interact. energy: 1.325 local terms energy: -409.022408 where: bonds (distance) C4'-P energy: -80.136 bonds (distance) P-C4' energy: -75.374 flat angles C4'-P-C4' energy: -99.573 flat angles P-C4'-P energy: -55.654 tors. eta vs tors. theta energy: -98.286 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: 9 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -1153.796222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.796222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.796222 (E_RNA) where: Base-Base interactions energy: -753.516 where: short stacking energy: -330.954 Base-Backbone interact. energy: 0.851 local terms energy: -401.130522 where: bonds (distance) C4'-P energy: -72.407 bonds (distance) P-C4' energy: -76.289 flat angles C4'-P-C4' energy: -90.302 flat angles P-C4'-P energy: -55.335 tors. eta vs tors. theta energy: -106.798 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: 108 Temperature: 1.100000 Total energy: -1078.955208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.955208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.955208 (E_RNA) where: Base-Base interactions energy: -722.441 where: short stacking energy: -302.463 Base-Backbone interact. energy: -1.449 local terms energy: -355.065012 where: bonds (distance) C4'-P energy: -78.207 bonds (distance) P-C4' energy: -68.675 flat angles C4'-P-C4' energy: -85.118 flat angles P-C4'-P energy: -42.218 tors. eta vs tors. theta energy: -80.847 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: 108 Temperature: 1.150000 Total energy: -903.855236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.855236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.855236 (E_RNA) where: Base-Base interactions energy: -545.991 where: short stacking energy: -253.871 Base-Backbone interact. energy: -1.901 local terms energy: -355.963068 where: bonds (distance) C4'-P energy: -74.606 bonds (distance) P-C4' energy: -73.701 flat angles C4'-P-C4' energy: -77.638 flat angles P-C4'-P energy: -54.967 tors. eta vs tors. theta energy: -75.051 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: 6 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -708.451367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.451367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.451367 (E_RNA) where: Base-Base interactions energy: -418.351 where: short stacking energy: -198.622 Base-Backbone interact. energy: 0.851 local terms energy: -290.951517 where: bonds (distance) C4'-P energy: -79.924 bonds (distance) P-C4' energy: -56.654 flat angles C4'-P-C4' energy: -73.855 flat angles P-C4'-P energy: -47.172 tors. eta vs tors. theta energy: -33.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -569.537561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.537561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.537561 (E_RNA) where: Base-Base interactions energy: -314.651 where: short stacking energy: -191.638 Base-Backbone interact. energy: -1.622 local terms energy: -253.264619 where: bonds (distance) C4'-P energy: -74.531 bonds (distance) P-C4' energy: -57.881 flat angles C4'-P-C4' energy: -61.317 flat angles P-C4'-P energy: -27.990 tors. eta vs tors. theta energy: -31.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -350.715889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.715889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.715889 (E_RNA) where: Base-Base interactions energy: -120.057 where: short stacking energy: -105.680 Base-Backbone interact. energy: 0.496 local terms energy: -231.154943 where: bonds (distance) C4'-P energy: -72.659 bonds (distance) P-C4' energy: -66.346 flat angles C4'-P-C4' energy: -44.011 flat angles P-C4'-P energy: -46.038 tors. eta vs tors. theta energy: -2.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -318.007889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.007889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.007889 (E_RNA) where: Base-Base interactions energy: -111.721 where: short stacking energy: -90.209 Base-Backbone interact. energy: -0.097 local terms energy: -206.190141 where: bonds (distance) C4'-P energy: -65.403 bonds (distance) P-C4' energy: -49.411 flat angles C4'-P-C4' energy: -53.368 flat angles P-C4'-P energy: -40.148 tors. eta vs tors. theta energy: 2.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -1311.276562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.276562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.276562 (E_RNA) where: Base-Base interactions energy: -847.604 where: short stacking energy: -400.509 Base-Backbone interact. energy: -0.896 local terms energy: -462.776622 where: bonds (distance) C4'-P energy: -93.446 bonds (distance) P-C4' energy: -85.479 flat angles C4'-P-C4' energy: -89.166 flat angles P-C4'-P energy: -69.468 tors. eta vs tors. theta energy: -125.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -1288.884722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.884722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.884722 (E_RNA) where: Base-Base interactions energy: -870.539 where: short stacking energy: -352.242 Base-Backbone interact. energy: -2.464 local terms energy: -415.881867 where: bonds (distance) C4'-P energy: -79.421 bonds (distance) P-C4' energy: -75.890 flat angles C4'-P-C4' energy: -92.260 flat angles P-C4'-P energy: -58.379 tors. eta vs tors. theta energy: -109.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -1247.687704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.687704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.687704 (E_RNA) where: Base-Base interactions energy: -852.148 where: short stacking energy: -366.410 Base-Backbone interact. energy: -0.198 local terms energy: -395.341718 where: bonds (distance) C4'-P energy: -72.337 bonds (distance) P-C4' energy: -70.291 flat angles C4'-P-C4' energy: -89.602 flat angles P-C4'-P energy: -61.957 tors. eta vs tors. theta energy: -101.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -1164.707488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.707488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.707488 (E_RNA) where: Base-Base interactions energy: -761.236 where: short stacking energy: -342.270 Base-Backbone interact. energy: 3.127 local terms energy: -406.597795 where: bonds (distance) C4'-P energy: -78.598 bonds (distance) P-C4' energy: -80.946 flat angles C4'-P-C4' energy: -89.452 flat angles P-C4'-P energy: -55.049 tors. eta vs tors. theta energy: -102.553 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: 109 Temperature: 1.100000 Total energy: -1118.285434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.285434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.285434 (E_RNA) where: Base-Base interactions energy: -745.659 where: short stacking energy: -309.238 Base-Backbone interact. energy: 0.314 local terms energy: -372.940282 where: bonds (distance) C4'-P energy: -76.350 bonds (distance) P-C4' energy: -78.133 flat angles C4'-P-C4' energy: -85.824 flat angles P-C4'-P energy: -48.889 tors. eta vs tors. theta energy: -83.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -960.580001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.580001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.580001 (E_RNA) where: Base-Base interactions energy: -614.246 where: short stacking energy: -272.392 Base-Backbone interact. energy: 1.161 local terms energy: -347.494872 where: bonds (distance) C4'-P energy: -73.190 bonds (distance) P-C4' energy: -74.470 flat angles C4'-P-C4' energy: -75.298 flat angles P-C4'-P energy: -44.981 tors. eta vs tors. theta energy: -79.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -689.490942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.490942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.490942 (E_RNA) where: Base-Base interactions energy: -422.015 where: short stacking energy: -197.642 Base-Backbone interact. energy: -3.473 local terms energy: -264.002849 where: bonds (distance) C4'-P energy: -64.592 bonds (distance) P-C4' energy: -64.500 flat angles C4'-P-C4' energy: -63.323 flat angles P-C4'-P energy: -37.139 tors. eta vs tors. theta energy: -34.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -501.359427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.359427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.359427 (E_RNA) where: Base-Base interactions energy: -221.926 where: short stacking energy: -139.945 Base-Backbone interact. energy: -1.497 local terms energy: -277.935848 where: bonds (distance) C4'-P energy: -58.544 bonds (distance) P-C4' energy: -74.963 flat angles C4'-P-C4' energy: -67.652 flat angles P-C4'-P energy: -54.149 tors. eta vs tors. theta energy: -22.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -357.562762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.562762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.562762 (E_RNA) where: Base-Base interactions energy: -142.489 where: short stacking energy: -103.037 Base-Backbone interact. energy: 3.512 local terms energy: -218.586175 where: bonds (distance) C4'-P energy: -65.040 bonds (distance) P-C4' energy: -58.682 flat angles C4'-P-C4' energy: -68.740 flat angles P-C4'-P energy: -35.842 tors. eta vs tors. theta energy: 9.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -334.149136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.149136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.149136 (E_RNA) where: Base-Base interactions energy: -125.251 where: short stacking energy: -94.780 Base-Backbone interact. energy: -1.197 local terms energy: -207.700414 where: bonds (distance) C4'-P energy: -56.744 bonds (distance) P-C4' energy: -68.070 flat angles C4'-P-C4' energy: -56.558 flat angles P-C4'-P energy: -36.336 tors. eta vs tors. theta energy: 10.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -1326.622636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.622636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.622636 (E_RNA) where: Base-Base interactions energy: -879.510 where: short stacking energy: -414.873 Base-Backbone interact. energy: -2.127 local terms energy: -444.985448 where: bonds (distance) C4'-P energy: -79.628 bonds (distance) P-C4' energy: -89.852 flat angles C4'-P-C4' energy: -91.535 flat angles P-C4'-P energy: -59.890 tors. eta vs tors. theta energy: -124.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -1271.100860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.100860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.100860 (E_RNA) where: Base-Base interactions energy: -853.781 where: short stacking energy: -359.381 Base-Backbone interact. energy: 2.279 local terms energy: -419.598886 where: bonds (distance) C4'-P energy: -79.803 bonds (distance) P-C4' energy: -89.117 flat angles C4'-P-C4' energy: -84.352 flat angles P-C4'-P energy: -66.202 tors. eta vs tors. theta energy: -100.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -1204.361118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.361118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.361118 (E_RNA) where: Base-Base interactions energy: -793.799 where: short stacking energy: -343.588 Base-Backbone interact. energy: -1.387 local terms energy: -409.175170 where: bonds (distance) C4'-P energy: -74.492 bonds (distance) P-C4' energy: -83.763 flat angles C4'-P-C4' energy: -83.241 flat angles P-C4'-P energy: -61.548 tors. eta vs tors. theta energy: -106.131 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: 8 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -1181.511918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.511918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.511918 (E_RNA) where: Base-Base interactions energy: -801.603 where: short stacking energy: -364.344 Base-Backbone interact. energy: 0.291 local terms energy: -380.199718 where: bonds (distance) C4'-P energy: -72.467 bonds (distance) P-C4' energy: -70.109 flat angles C4'-P-C4' energy: -88.631 flat angles P-C4'-P energy: -51.135 tors. eta vs tors. theta energy: -97.858 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: 3 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -1109.990693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.990693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.990693 (E_RNA) where: Base-Base interactions energy: -760.614 where: short stacking energy: -329.296 Base-Backbone interact. energy: 1.186 local terms energy: -350.562861 where: bonds (distance) C4'-P energy: -59.772 bonds (distance) P-C4' energy: -81.462 flat angles C4'-P-C4' energy: -74.284 flat angles P-C4'-P energy: -42.573 tors. eta vs tors. theta energy: -92.471 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: 110 Temperature: 1.150000 Total energy: -900.571427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.571427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.571427 (E_RNA) where: Base-Base interactions energy: -555.670 where: short stacking energy: -240.456 Base-Backbone interact. energy: -1.699 local terms energy: -343.202080 where: bonds (distance) C4'-P energy: -66.630 bonds (distance) P-C4' energy: -67.210 flat angles C4'-P-C4' energy: -87.302 flat angles P-C4'-P energy: -52.774 tors. eta vs tors. theta energy: -69.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -680.928173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.928173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.928173 (E_RNA) where: Base-Base interactions energy: -384.544 where: short stacking energy: -190.098 Base-Backbone interact. energy: -0.765 local terms energy: -295.618726 where: bonds (distance) C4'-P energy: -69.709 bonds (distance) P-C4' energy: -75.735 flat angles C4'-P-C4' energy: -58.533 flat angles P-C4'-P energy: -50.145 tors. eta vs tors. theta energy: -41.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -501.708952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.708952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.708952 (E_RNA) where: Base-Base interactions energy: -246.924 where: short stacking energy: -154.943 Base-Backbone interact. energy: 1.182 local terms energy: -255.967356 where: bonds (distance) C4'-P energy: -71.252 bonds (distance) P-C4' energy: -72.863 flat angles C4'-P-C4' energy: -58.123 flat angles P-C4'-P energy: -34.253 tors. eta vs tors. theta energy: -19.477 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: 9, replica: 10 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -359.564493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.564493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.564493 (E_RNA) where: Base-Base interactions energy: -119.785 where: short stacking energy: -110.062 Base-Backbone interact. energy: 1.085 local terms energy: -240.864431 where: bonds (distance) C4'-P energy: -77.007 bonds (distance) P-C4' energy: -79.983 flat angles C4'-P-C4' energy: -46.275 flat angles P-C4'-P energy: -33.367 tors. eta vs tors. theta energy: -4.233 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: 4 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -323.703643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.703643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.703643 (E_RNA) where: Base-Base interactions energy: -123.564 where: short stacking energy: -113.499 Base-Backbone interact. energy: 1.776 local terms energy: -201.915932 where: bonds (distance) C4'-P energy: -78.229 bonds (distance) P-C4' energy: -54.411 flat angles C4'-P-C4' energy: -44.968 flat angles P-C4'-P energy: -22.077 tors. eta vs tors. theta energy: -2.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -1341.313481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.313481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.313481 (E_RNA) where: Base-Base interactions energy: -886.898 where: short stacking energy: -413.532 Base-Backbone interact. energy: 0.072 local terms energy: -454.488334 where: bonds (distance) C4'-P energy: -80.667 bonds (distance) P-C4' energy: -88.078 flat angles C4'-P-C4' energy: -89.561 flat angles P-C4'-P energy: -70.499 tors. eta vs tors. theta energy: -125.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -1280.135957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.135957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.135957 (E_RNA) where: Base-Base interactions energy: -857.901 where: short stacking energy: -366.217 Base-Backbone interact. energy: -1.490 local terms energy: -420.745093 where: bonds (distance) C4'-P energy: -79.487 bonds (distance) P-C4' energy: -84.377 flat angles C4'-P-C4' energy: -99.286 flat angles P-C4'-P energy: -55.872 tors. eta vs tors. theta energy: -101.723 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: 9 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -1226.370790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.370790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.370790 (E_RNA) where: Base-Base interactions energy: -805.675 where: short stacking energy: -364.838 Base-Backbone interact. energy: -2.220 local terms energy: -418.475580 where: bonds (distance) C4'-P energy: -82.131 bonds (distance) P-C4' energy: -70.354 flat angles C4'-P-C4' energy: -93.427 flat angles P-C4'-P energy: -54.614 tors. eta vs tors. theta energy: -117.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -1177.184639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.184639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.184639 (E_RNA) where: Base-Base interactions energy: -770.634 where: short stacking energy: -311.171 Base-Backbone interact. energy: 1.819 local terms energy: -408.369568 where: bonds (distance) C4'-P energy: -80.911 bonds (distance) P-C4' energy: -80.237 flat angles C4'-P-C4' energy: -90.123 flat angles P-C4'-P energy: -61.150 tors. eta vs tors. theta energy: -95.948 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: 3 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -1044.993725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.993725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.993725 (E_RNA) where: Base-Base interactions energy: -703.635 where: short stacking energy: -292.922 Base-Backbone interact. energy: -5.122 local terms energy: -336.237174 where: bonds (distance) C4'-P energy: -66.028 bonds (distance) P-C4' energy: -81.082 flat angles C4'-P-C4' energy: -73.999 flat angles P-C4'-P energy: -45.155 tors. eta vs tors. theta energy: -69.974 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: 111 Temperature: 1.150000 Total energy: -914.098148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.098148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.098148 (E_RNA) where: Base-Base interactions energy: -568.810 where: short stacking energy: -272.503 Base-Backbone interact. energy: -2.357 local terms energy: -342.931327 where: bonds (distance) C4'-P energy: -80.687 bonds (distance) P-C4' energy: -70.881 flat angles C4'-P-C4' energy: -76.283 flat angles P-C4'-P energy: -42.750 tors. eta vs tors. theta energy: -72.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -712.914374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.914374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.914374 (E_RNA) where: Base-Base interactions energy: -428.693 where: short stacking energy: -206.000 Base-Backbone interact. energy: -2.170 local terms energy: -282.051472 where: bonds (distance) C4'-P energy: -66.265 bonds (distance) P-C4' energy: -69.612 flat angles C4'-P-C4' energy: -70.441 flat angles P-C4'-P energy: -47.079 tors. eta vs tors. theta energy: -28.656 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: 2 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -490.498577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.498577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.498577 (E_RNA) where: Base-Base interactions energy: -258.224 where: short stacking energy: -154.886 Base-Backbone interact. energy: 2.746 local terms energy: -235.020259 where: bonds (distance) C4'-P energy: -55.542 bonds (distance) P-C4' energy: -72.936 flat angles C4'-P-C4' energy: -63.602 flat angles P-C4'-P energy: -40.816 tors. eta vs tors. theta energy: -2.125 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: 111 Temperature: 1.300000 Total energy: -346.485568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.485568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.485568 (E_RNA) where: Base-Base interactions energy: -110.360 where: short stacking energy: -81.557 Base-Backbone interact. energy: 0.363 local terms energy: -236.488729 where: bonds (distance) C4'-P energy: -67.371 bonds (distance) P-C4' energy: -66.272 flat angles C4'-P-C4' energy: -73.622 flat angles P-C4'-P energy: -43.515 tors. eta vs tors. theta energy: 14.291 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: 111 Temperature: 1.350000 Total energy: -323.897227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.897227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.897227 (E_RNA) where: Base-Base interactions energy: -141.126 where: short stacking energy: -92.504 Base-Backbone interact. energy: -1.339 local terms energy: -181.432294 where: bonds (distance) C4'-P energy: -60.411 bonds (distance) P-C4' energy: -66.563 flat angles C4'-P-C4' energy: -37.813 flat angles P-C4'-P energy: -34.420 tors. eta vs tors. theta energy: 17.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -1313.029535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.029535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.029535 (E_RNA) where: Base-Base interactions energy: -863.327 where: short stacking energy: -393.527 Base-Backbone interact. energy: 0.079 local terms energy: -449.781853 where: bonds (distance) C4'-P energy: -77.744 bonds (distance) P-C4' energy: -93.689 flat angles C4'-P-C4' energy: -93.977 flat angles P-C4'-P energy: -56.626 tors. eta vs tors. theta energy: -127.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -1243.618549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.618549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.618549 (E_RNA) where: Base-Base interactions energy: -850.509 where: short stacking energy: -352.645 Base-Backbone interact. energy: 1.010 local terms energy: -394.119380 where: bonds (distance) C4'-P energy: -85.218 bonds (distance) P-C4' energy: -80.576 flat angles C4'-P-C4' energy: -82.013 flat angles P-C4'-P energy: -53.430 tors. eta vs tors. theta energy: -92.882 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: 8 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -1219.238783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.238783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.238783 (E_RNA) where: Base-Base interactions energy: -800.943 where: short stacking energy: -369.962 Base-Backbone interact. energy: -2.415 local terms energy: -415.880894 where: bonds (distance) C4'-P energy: -74.877 bonds (distance) P-C4' energy: -82.782 flat angles C4'-P-C4' energy: -94.222 flat angles P-C4'-P energy: -61.134 tors. eta vs tors. theta energy: -102.865 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: 4, replica: 9 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -1169.635065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.635065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.635065 (E_RNA) where: Base-Base interactions energy: -763.721 where: short stacking energy: -329.211 Base-Backbone interact. energy: -1.303 local terms energy: -404.610797 where: bonds (distance) C4'-P energy: -85.369 bonds (distance) P-C4' energy: -76.676 flat angles C4'-P-C4' energy: -85.429 flat angles P-C4'-P energy: -58.184 tors. eta vs tors. theta energy: -98.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -1035.017190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.017190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.017190 (E_RNA) where: Base-Base interactions energy: -670.108 where: short stacking energy: -288.570 Base-Backbone interact. energy: -2.715 local terms energy: -362.194516 where: bonds (distance) C4'-P energy: -87.795 bonds (distance) P-C4' energy: -70.077 flat angles C4'-P-C4' energy: -82.204 flat angles P-C4'-P energy: -49.856 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: 6, replica: 7 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -875.317841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.317841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.317841 (E_RNA) where: Base-Base interactions energy: -558.588 where: short stacking energy: -258.323 Base-Backbone interact. energy: 0.643 local terms energy: -317.373648 where: bonds (distance) C4'-P energy: -56.013 bonds (distance) P-C4' energy: -85.621 flat angles C4'-P-C4' energy: -70.683 flat angles P-C4'-P energy: -50.272 tors. eta vs tors. theta energy: -54.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -700.931972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.931972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.931972 (E_RNA) where: Base-Base interactions energy: -405.052 where: short stacking energy: -198.903 Base-Backbone interact. energy: 1.984 local terms energy: -297.864002 where: bonds (distance) C4'-P energy: -62.064 bonds (distance) P-C4' energy: -74.612 flat angles C4'-P-C4' energy: -72.866 flat angles P-C4'-P energy: -40.130 tors. eta vs tors. theta energy: -48.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -505.186815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.186815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.186815 (E_RNA) where: Base-Base interactions energy: -249.204 where: short stacking energy: -148.474 Base-Backbone interact. energy: -0.135 local terms energy: -255.847764 where: bonds (distance) C4'-P energy: -63.185 bonds (distance) P-C4' energy: -75.899 flat angles C4'-P-C4' energy: -63.842 flat angles P-C4'-P energy: -47.011 tors. eta vs tors. theta energy: -5.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -378.562945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.562945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.562945 (E_RNA) where: Base-Base interactions energy: -144.060 where: short stacking energy: -110.004 Base-Backbone interact. energy: 2.186 local terms energy: -236.689214 where: bonds (distance) C4'-P energy: -75.062 bonds (distance) P-C4' energy: -73.507 flat angles C4'-P-C4' energy: -61.989 flat angles P-C4'-P energy: -27.061 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: 10, replica: 10 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -378.432735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.432735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.432735 (E_RNA) where: Base-Base interactions energy: -165.630 where: short stacking energy: -115.629 Base-Backbone interact. energy: 1.194 local terms energy: -213.996853 where: bonds (distance) C4'-P energy: -58.510 bonds (distance) P-C4' energy: -54.477 flat angles C4'-P-C4' energy: -70.224 flat angles P-C4'-P energy: -31.483 tors. eta vs tors. theta energy: 0.698 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: 5 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -1318.099027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.099027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.099027 (E_RNA) where: Base-Base interactions energy: -866.170 where: short stacking energy: -389.526 Base-Backbone interact. energy: -0.394 local terms energy: -451.535301 where: bonds (distance) C4'-P energy: -79.526 bonds (distance) P-C4' energy: -88.852 flat angles C4'-P-C4' energy: -99.408 flat angles P-C4'-P energy: -64.882 tors. eta vs tors. theta energy: -118.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -1294.887455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.887455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.887455 (E_RNA) where: Base-Base interactions energy: -872.289 where: short stacking energy: -366.069 Base-Backbone interact. energy: -0.198 local terms energy: -422.400059 where: bonds (distance) C4'-P energy: -68.009 bonds (distance) P-C4' energy: -91.514 flat angles C4'-P-C4' energy: -90.868 flat angles P-C4'-P energy: -62.128 tors. eta vs tors. theta energy: -109.882 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: 1 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -1226.735260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.735260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.735260 (E_RNA) where: Base-Base interactions energy: -816.482 where: short stacking energy: -353.295 Base-Backbone interact. energy: -0.679 local terms energy: -409.574080 where: bonds (distance) C4'-P energy: -80.784 bonds (distance) P-C4' energy: -83.250 flat angles C4'-P-C4' energy: -79.374 flat angles P-C4'-P energy: -60.434 tors. eta vs tors. theta energy: -105.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -1187.715621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.715621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.715621 (E_RNA) where: Base-Base interactions energy: -802.766 where: short stacking energy: -354.426 Base-Backbone interact. energy: -0.313 local terms energy: -384.636005 where: bonds (distance) C4'-P energy: -80.698 bonds (distance) P-C4' energy: -67.819 flat angles C4'-P-C4' energy: -79.396 flat angles P-C4'-P energy: -50.174 tors. eta vs tors. theta energy: -106.549 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: 3 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -1050.678421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.678421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.678421 (E_RNA) where: Base-Base interactions energy: -694.395 where: short stacking energy: -264.945 Base-Backbone interact. energy: -2.480 local terms energy: -353.802916 where: bonds (distance) C4'-P energy: -80.816 bonds (distance) P-C4' energy: -85.299 flat angles C4'-P-C4' energy: -71.967 flat angles P-C4'-P energy: -46.532 tors. eta vs tors. theta energy: -69.189 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: 7 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -862.992943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.992943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.992943 (E_RNA) where: Base-Base interactions energy: -554.178 where: short stacking energy: -249.773 Base-Backbone interact. energy: -1.240 local terms energy: -307.575006 where: bonds (distance) C4'-P energy: -54.659 bonds (distance) P-C4' energy: -69.324 flat angles C4'-P-C4' energy: -70.846 flat angles P-C4'-P energy: -49.322 tors. eta vs tors. theta energy: -63.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -712.176841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.176841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.176841 (E_RNA) where: Base-Base interactions energy: -418.515 where: short stacking energy: -205.237 Base-Backbone interact. energy: -0.786 local terms energy: -292.875456 where: bonds (distance) C4'-P energy: -69.010 bonds (distance) P-C4' energy: -71.069 flat angles C4'-P-C4' energy: -59.221 flat angles P-C4'-P energy: -51.031 tors. eta vs tors. theta energy: -42.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -526.706884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.706884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.706884 (E_RNA) where: Base-Base interactions energy: -247.710 where: short stacking energy: -139.264 Base-Backbone interact. energy: -0.241 local terms energy: -278.755662 where: bonds (distance) C4'-P energy: -80.880 bonds (distance) P-C4' energy: -72.504 flat angles C4'-P-C4' energy: -71.746 flat angles P-C4'-P energy: -39.751 tors. eta vs tors. theta energy: -13.874 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: 4 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -366.255556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.255556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.255556 (E_RNA) where: Base-Base interactions energy: -122.340 where: short stacking energy: -103.695 Base-Backbone interact. energy: 0.567 local terms energy: -244.481700 where: bonds (distance) C4'-P energy: -72.339 bonds (distance) P-C4' energy: -84.948 flat angles C4'-P-C4' energy: -55.671 flat angles P-C4'-P energy: -43.006 tors. eta vs tors. theta energy: 11.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -359.290164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.290164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.290164 (E_RNA) where: Base-Base interactions energy: -126.940 where: short stacking energy: -116.334 Base-Backbone interact. energy: 1.534 local terms energy: -233.883993 where: bonds (distance) C4'-P energy: -67.715 bonds (distance) P-C4' energy: -61.555 flat angles C4'-P-C4' energy: -64.036 flat angles P-C4'-P energy: -36.970 tors. eta vs tors. theta energy: -3.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -1327.819744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.819744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.819744 (E_RNA) where: Base-Base interactions energy: -865.754 where: short stacking energy: -420.308 Base-Backbone interact. energy: 2.718 local terms energy: -464.783898 where: bonds (distance) C4'-P energy: -79.750 bonds (distance) P-C4' energy: -81.978 flat angles C4'-P-C4' energy: -104.688 flat angles P-C4'-P energy: -67.695 tors. eta vs tors. theta energy: -130.673 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: 2, replica: 8 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -1266.738565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.738565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.738565 (E_RNA) where: Base-Base interactions energy: -846.875 where: short stacking energy: -360.514 Base-Backbone interact. energy: -4.093 local terms energy: -415.770486 where: bonds (distance) C4'-P energy: -78.591 bonds (distance) P-C4' energy: -82.725 flat angles C4'-P-C4' energy: -90.119 flat angles P-C4'-P energy: -57.853 tors. eta vs tors. theta energy: -106.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -1233.332736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.332736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.332736 (E_RNA) where: Base-Base interactions energy: -825.627 where: short stacking energy: -365.784 Base-Backbone interact. energy: -2.303 local terms energy: -405.403645 where: bonds (distance) C4'-P energy: -79.803 bonds (distance) P-C4' energy: -73.618 flat angles C4'-P-C4' energy: -83.880 flat angles P-C4'-P energy: -57.451 tors. eta vs tors. theta energy: -110.652 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: 9 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -1169.250872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.250872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.250872 (E_RNA) where: Base-Base interactions energy: -788.245 where: short stacking energy: -363.186 Base-Backbone interact. energy: -1.586 local terms energy: -379.419863 where: bonds (distance) C4'-P energy: -70.190 bonds (distance) P-C4' energy: -69.586 flat angles C4'-P-C4' energy: -78.863 flat angles P-C4'-P energy: -56.140 tors. eta vs tors. theta energy: -104.641 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: 3 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -1065.227978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.227978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.227978 (E_RNA) where: Base-Base interactions energy: -713.909 where: short stacking energy: -310.096 Base-Backbone interact. energy: -2.528 local terms energy: -348.790815 where: bonds (distance) C4'-P energy: -67.209 bonds (distance) P-C4' energy: -78.250 flat angles C4'-P-C4' energy: -85.429 flat angles P-C4'-P energy: -51.927 tors. eta vs tors. theta energy: -65.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -834.313969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.313969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.313969 (E_RNA) where: Base-Base interactions energy: -499.297 where: short stacking energy: -230.950 Base-Backbone interact. energy: -1.247 local terms energy: -333.770300 where: bonds (distance) C4'-P energy: -68.349 bonds (distance) P-C4' energy: -79.092 flat angles C4'-P-C4' energy: -78.048 flat angles P-C4'-P energy: -55.734 tors. eta vs tors. theta energy: -52.548 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: 6 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -758.290268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.290268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.290268 (E_RNA) where: Base-Base interactions energy: -475.523 where: short stacking energy: -225.095 Base-Backbone interact. energy: 7.627 local terms energy: -290.394025 where: bonds (distance) C4'-P energy: -57.620 bonds (distance) P-C4' energy: -72.727 flat angles C4'-P-C4' energy: -62.973 flat angles P-C4'-P energy: -45.978 tors. eta vs tors. theta energy: -51.095 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: 8, replica: 2 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -518.993435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.993435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.993435 (E_RNA) where: Base-Base interactions energy: -264.711 where: short stacking energy: -133.040 Base-Backbone interact. energy: 0.486 local terms energy: -254.768516 where: bonds (distance) C4'-P energy: -69.215 bonds (distance) P-C4' energy: -76.601 flat angles C4'-P-C4' energy: -44.377 flat angles P-C4'-P energy: -38.859 tors. eta vs tors. theta energy: -25.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -348.925820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.925820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.925820 (E_RNA) where: Base-Base interactions energy: -118.676 where: short stacking energy: -106.588 Base-Backbone interact. energy: 0.840 local terms energy: -231.090042 where: bonds (distance) C4'-P energy: -67.746 bonds (distance) P-C4' energy: -76.466 flat angles C4'-P-C4' energy: -60.498 flat angles P-C4'-P energy: -40.137 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: 4 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -330.375608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.375608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.375608 (E_RNA) where: Base-Base interactions energy: -105.010 where: short stacking energy: -96.843 Base-Backbone interact. energy: 0.039 local terms energy: -225.404107 where: bonds (distance) C4'-P energy: -71.054 bonds (distance) P-C4' energy: -68.685 flat angles C4'-P-C4' energy: -60.964 flat angles P-C4'-P energy: -33.051 tors. eta vs tors. theta energy: 8.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -1307.199453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.199453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.199453 (E_RNA) where: Base-Base interactions energy: -858.160 where: short stacking energy: -403.295 Base-Backbone interact. energy: -0.791 local terms energy: -448.248151 where: bonds (distance) C4'-P energy: -88.045 bonds (distance) P-C4' energy: -88.668 flat angles C4'-P-C4' energy: -89.717 flat angles P-C4'-P energy: -61.633 tors. eta vs tors. theta energy: -120.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -1277.522244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.522244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.522244 (E_RNA) where: Base-Base interactions energy: -848.755 where: short stacking energy: -373.137 Base-Backbone interact. energy: -1.419 local terms energy: -427.348190 where: bonds (distance) C4'-P energy: -80.434 bonds (distance) P-C4' energy: -85.403 flat angles C4'-P-C4' energy: -87.292 flat angles P-C4'-P energy: -55.151 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: 3, replica: 8 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -1223.227545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.227545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.227545 (E_RNA) where: Base-Base interactions energy: -822.716 where: short stacking energy: -367.151 Base-Backbone interact. energy: -4.270 local terms energy: -396.241358 where: bonds (distance) C4'-P energy: -66.515 bonds (distance) P-C4' energy: -78.583 flat angles C4'-P-C4' energy: -86.924 flat angles P-C4'-P energy: -61.446 tors. eta vs tors. theta energy: -102.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -1163.130971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.130971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.130971 (E_RNA) where: Base-Base interactions energy: -786.769 where: short stacking energy: -355.616 Base-Backbone interact. energy: -0.548 local terms energy: -375.814168 where: bonds (distance) C4'-P energy: -60.952 bonds (distance) P-C4' energy: -68.323 flat angles C4'-P-C4' energy: -90.392 flat angles P-C4'-P energy: -58.593 tors. eta vs tors. theta energy: -97.553 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: 115 Temperature: 1.100000 Total energy: -1063.722316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.722316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.722316 (E_RNA) where: Base-Base interactions energy: -709.124 where: short stacking energy: -294.539 Base-Backbone interact. energy: -2.488 local terms energy: -352.109924 where: bonds (distance) C4'-P energy: -66.400 bonds (distance) P-C4' energy: -79.513 flat angles C4'-P-C4' energy: -83.945 flat angles P-C4'-P energy: -48.332 tors. eta vs tors. theta energy: -73.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -797.708741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.708741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.708741 (E_RNA) where: Base-Base interactions energy: -482.036 where: short stacking energy: -237.253 Base-Backbone interact. energy: 0.210 local terms energy: -315.882264 where: bonds (distance) C4'-P energy: -70.922 bonds (distance) P-C4' energy: -83.715 flat angles C4'-P-C4' energy: -70.635 flat angles P-C4'-P energy: -39.411 tors. eta vs tors. theta energy: -51.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -812.454348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.454348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.454348 (E_RNA) where: Base-Base interactions energy: -511.616 where: short stacking energy: -221.575 Base-Backbone interact. energy: -0.570 local terms energy: -300.268533 where: bonds (distance) C4'-P energy: -73.015 bonds (distance) P-C4' energy: -59.317 flat angles C4'-P-C4' energy: -64.978 flat angles P-C4'-P energy: -55.847 tors. eta vs tors. theta energy: -47.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -514.158830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.158830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.158830 (E_RNA) where: Base-Base interactions energy: -274.826 where: short stacking energy: -158.757 Base-Backbone interact. energy: 2.795 local terms energy: -242.127883 where: bonds (distance) C4'-P energy: -56.417 bonds (distance) P-C4' energy: -69.958 flat angles C4'-P-C4' energy: -46.988 flat angles P-C4'-P energy: -46.384 tors. eta vs tors. theta energy: -22.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -341.322557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.322557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.322557 (E_RNA) where: Base-Base interactions energy: -111.581 where: short stacking energy: -109.607 Base-Backbone interact. energy: -0.824 local terms energy: -228.917368 where: bonds (distance) C4'-P energy: -65.903 bonds (distance) P-C4' energy: -61.633 flat angles C4'-P-C4' energy: -66.100 flat angles P-C4'-P energy: -41.660 tors. eta vs tors. theta energy: 6.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -351.473565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.473565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.473565 (E_RNA) where: Base-Base interactions energy: -129.624 where: short stacking energy: -115.053 Base-Backbone interact. energy: -0.534 local terms energy: -221.315512 where: bonds (distance) C4'-P energy: -55.927 bonds (distance) P-C4' energy: -70.376 flat angles C4'-P-C4' energy: -56.257 flat angles P-C4'-P energy: -34.915 tors. eta vs tors. theta energy: -3.841 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: 1, replica: 1 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -1288.799993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.799993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.799993 (E_RNA) where: Base-Base interactions energy: -861.299 where: short stacking energy: -388.640 Base-Backbone interact. energy: -1.299 local terms energy: -426.201670 where: bonds (distance) C4'-P energy: -80.450 bonds (distance) P-C4' energy: -72.662 flat angles C4'-P-C4' energy: -94.904 flat angles P-C4'-P energy: -66.810 tors. eta vs tors. theta energy: -111.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -1267.697496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.697496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.697496 (E_RNA) where: Base-Base interactions energy: -841.589 where: short stacking energy: -389.723 Base-Backbone interact. energy: -0.695 local terms energy: -425.413750 where: bonds (distance) C4'-P energy: -80.596 bonds (distance) P-C4' energy: -86.487 flat angles C4'-P-C4' energy: -83.418 flat angles P-C4'-P energy: -60.843 tors. eta vs tors. theta energy: -114.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -1222.421850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.421850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.421850 (E_RNA) where: Base-Base interactions energy: -819.160 where: short stacking energy: -363.717 Base-Backbone interact. energy: -2.571 local terms energy: -400.690759 where: bonds (distance) C4'-P energy: -76.277 bonds (distance) P-C4' energy: -82.621 flat angles C4'-P-C4' energy: -82.048 flat angles P-C4'-P energy: -49.104 tors. eta vs tors. theta energy: -110.641 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: 8 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -1159.311821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.311821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.311821 (E_RNA) where: Base-Base interactions energy: -797.904 where: short stacking energy: -369.861 Base-Backbone interact. energy: -2.442 local terms energy: -358.965796 where: bonds (distance) C4'-P energy: -71.836 bonds (distance) P-C4' energy: -70.587 flat angles C4'-P-C4' energy: -71.515 flat angles P-C4'-P energy: -47.472 tors. eta vs tors. theta energy: -97.557 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: 3 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -1115.895744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.895744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.895744 (E_RNA) where: Base-Base interactions energy: -754.782 where: short stacking energy: -326.204 Base-Backbone interact. energy: -3.422 local terms energy: -357.691686 where: bonds (distance) C4'-P energy: -73.672 bonds (distance) P-C4' energy: -72.360 flat angles C4'-P-C4' energy: -84.389 flat angles P-C4'-P energy: -41.186 tors. eta vs tors. theta energy: -86.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -813.670629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.670629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.670629 (E_RNA) where: Base-Base interactions energy: -493.318 where: short stacking energy: -237.630 Base-Backbone interact. energy: 0.280 local terms energy: -320.632455 where: bonds (distance) C4'-P energy: -65.469 bonds (distance) P-C4' energy: -80.581 flat angles C4'-P-C4' energy: -75.894 flat angles P-C4'-P energy: -42.382 tors. eta vs tors. theta energy: -56.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -787.955405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.955405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.955405 (E_RNA) where: Base-Base interactions energy: -521.076 where: short stacking energy: -215.420 Base-Backbone interact. energy: -0.026 local terms energy: -266.853919 where: bonds (distance) C4'-P energy: -62.966 bonds (distance) P-C4' energy: -68.450 flat angles C4'-P-C4' energy: -50.479 flat angles P-C4'-P energy: -46.972 tors. eta vs tors. theta energy: -37.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -499.045195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.045195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.045195 (E_RNA) where: Base-Base interactions energy: -234.819 where: short stacking energy: -133.984 Base-Backbone interact. energy: -0.989 local terms energy: -263.237451 where: bonds (distance) C4'-P energy: -68.724 bonds (distance) P-C4' energy: -76.237 flat angles C4'-P-C4' energy: -57.652 flat angles P-C4'-P energy: -50.124 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: 9, replica: 4 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -349.711529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.711529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.711529 (E_RNA) where: Base-Base interactions energy: -129.944 where: short stacking energy: -106.619 Base-Backbone interact. energy: -1.269 local terms energy: -218.498307 where: bonds (distance) C4'-P energy: -55.352 bonds (distance) P-C4' energy: -71.797 flat angles C4'-P-C4' energy: -48.967 flat angles P-C4'-P energy: -43.394 tors. eta vs tors. theta energy: 1.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -318.664247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.664247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.664247 (E_RNA) where: Base-Base interactions energy: -101.619 where: short stacking energy: -60.682 Base-Backbone interact. energy: -2.605 local terms energy: -214.441221 where: bonds (distance) C4'-P energy: -73.927 bonds (distance) P-C4' energy: -68.281 flat angles C4'-P-C4' energy: -51.089 flat angles P-C4'-P energy: -43.110 tors. eta vs tors. theta energy: 21.965 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: 1 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -1309.896522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.896522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.896522 (E_RNA) where: Base-Base interactions energy: -886.214 where: short stacking energy: -383.584 Base-Backbone interact. energy: -1.753 local terms energy: -421.929605 where: bonds (distance) C4'-P energy: -81.096 bonds (distance) P-C4' energy: -83.821 flat angles C4'-P-C4' energy: -87.340 flat angles P-C4'-P energy: -65.361 tors. eta vs tors. theta energy: -104.312 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: 5 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -1266.747435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.747435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.747435 (E_RNA) where: Base-Base interactions energy: -859.056 where: short stacking energy: -383.366 Base-Backbone interact. energy: 0.808 local terms energy: -408.499329 where: bonds (distance) C4'-P energy: -68.117 bonds (distance) P-C4' energy: -74.891 flat angles C4'-P-C4' energy: -84.090 flat angles P-C4'-P energy: -62.326 tors. eta vs tors. theta energy: -119.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -1234.319665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.319665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.319665 (E_RNA) where: Base-Base interactions energy: -835.041 where: short stacking energy: -369.039 Base-Backbone interact. energy: -0.904 local terms energy: -398.375220 where: bonds (distance) C4'-P energy: -78.838 bonds (distance) P-C4' energy: -81.919 flat angles C4'-P-C4' energy: -74.226 flat angles P-C4'-P energy: -62.122 tors. eta vs tors. theta energy: -101.270 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: 117 Temperature: 1.050000 Total energy: -1111.960844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.960844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.960844 (E_RNA) where: Base-Base interactions energy: -759.381 where: short stacking energy: -308.935 Base-Backbone interact. energy: -3.130 local terms energy: -349.450213 where: bonds (distance) C4'-P energy: -77.962 bonds (distance) P-C4' energy: -72.631 flat angles C4'-P-C4' energy: -77.210 flat angles P-C4'-P energy: -39.694 tors. eta vs tors. theta energy: -81.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -1138.682119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.682119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.682119 (E_RNA) where: Base-Base interactions energy: -754.288 where: short stacking energy: -325.520 Base-Backbone interact. energy: -1.284 local terms energy: -383.110059 where: bonds (distance) C4'-P energy: -73.712 bonds (distance) P-C4' energy: -60.415 flat angles C4'-P-C4' energy: -91.021 flat angles P-C4'-P energy: -67.481 tors. eta vs tors. theta energy: -90.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -800.530775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.530775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.530775 (E_RNA) where: Base-Base interactions energy: -487.999 where: short stacking energy: -225.732 Base-Backbone interact. energy: -0.505 local terms energy: -312.026899 where: bonds (distance) C4'-P energy: -60.279 bonds (distance) P-C4' energy: -81.980 flat angles C4'-P-C4' energy: -67.530 flat angles P-C4'-P energy: -50.549 tors. eta vs tors. theta energy: -51.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -790.786087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.786087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.786087 (E_RNA) where: Base-Base interactions energy: -497.967 where: short stacking energy: -230.865 Base-Backbone interact. energy: -1.355 local terms energy: -291.463852 where: bonds (distance) C4'-P energy: -73.206 bonds (distance) P-C4' energy: -71.449 flat angles C4'-P-C4' energy: -64.517 flat angles P-C4'-P energy: -43.725 tors. eta vs tors. theta energy: -38.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -529.773367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.773367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.773367 (E_RNA) where: Base-Base interactions energy: -261.765 where: short stacking energy: -143.985 Base-Backbone interact. energy: -1.075 local terms energy: -266.933024 where: bonds (distance) C4'-P energy: -76.774 bonds (distance) P-C4' energy: -78.807 flat angles C4'-P-C4' energy: -73.860 flat angles P-C4'-P energy: -28.894 tors. eta vs tors. theta energy: -8.597 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: 4 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -356.097493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.097493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.097493 (E_RNA) where: Base-Base interactions energy: -109.048 where: short stacking energy: -94.831 Base-Backbone interact. energy: -1.494 local terms energy: -245.556156 where: bonds (distance) C4'-P energy: -75.973 bonds (distance) P-C4' energy: -82.240 flat angles C4'-P-C4' energy: -55.697 flat angles P-C4'-P energy: -42.515 tors. eta vs tors. theta energy: 10.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -375.225846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.225846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.225846 (E_RNA) where: Base-Base interactions energy: -145.450 where: short stacking energy: -103.876 Base-Backbone interact. energy: -1.832 local terms energy: -227.943770 where: bonds (distance) C4'-P energy: -74.702 bonds (distance) P-C4' energy: -65.214 flat angles C4'-P-C4' energy: -58.116 flat angles P-C4'-P energy: -44.159 tors. eta vs tors. theta energy: 14.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -1301.021819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.021819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.021819 (E_RNA) where: Base-Base interactions energy: -875.673 where: short stacking energy: -400.435 Base-Backbone interact. energy: -1.440 local terms energy: -423.909517 where: bonds (distance) C4'-P energy: -88.996 bonds (distance) P-C4' energy: -80.185 flat angles C4'-P-C4' energy: -88.276 flat angles P-C4'-P energy: -56.900 tors. eta vs tors. theta energy: -109.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -1248.619590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.619590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.619590 (E_RNA) where: Base-Base interactions energy: -833.890 where: short stacking energy: -390.713 Base-Backbone interact. energy: -0.727 local terms energy: -414.002531 where: bonds (distance) C4'-P energy: -78.349 bonds (distance) P-C4' energy: -81.797 flat angles C4'-P-C4' energy: -79.305 flat angles P-C4'-P energy: -53.633 tors. eta vs tors. theta energy: -120.919 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: 3, replica: 9 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -1173.336720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.336720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.336720 (E_RNA) where: Base-Base interactions energy: -779.388 where: short stacking energy: -332.590 Base-Backbone interact. energy: -2.470 local terms energy: -391.478376 where: bonds (distance) C4'-P energy: -73.520 bonds (distance) P-C4' energy: -79.163 flat angles C4'-P-C4' energy: -90.152 flat angles P-C4'-P energy: -58.058 tors. eta vs tors. theta energy: -90.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -1119.704046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.704046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.704046 (E_RNA) where: Base-Base interactions energy: -770.092 where: short stacking energy: -323.316 Base-Backbone interact. energy: -1.334 local terms energy: -348.277755 where: bonds (distance) C4'-P energy: -67.713 bonds (distance) P-C4' energy: -74.409 flat angles C4'-P-C4' energy: -74.917 flat angles P-C4'-P energy: -59.787 tors. eta vs tors. theta energy: -71.453 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: 8 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -1130.553300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.553300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.553300 (E_RNA) where: Base-Base interactions energy: -755.321 where: short stacking energy: -339.445 Base-Backbone interact. energy: -3.056 local terms energy: -372.175861 where: bonds (distance) C4'-P energy: -77.201 bonds (distance) P-C4' energy: -75.741 flat angles C4'-P-C4' energy: -73.600 flat angles P-C4'-P energy: -59.179 tors. eta vs tors. theta energy: -86.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -822.573956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.573956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.573956 (E_RNA) where: Base-Base interactions energy: -493.542 where: short stacking energy: -241.422 Base-Backbone interact. energy: -0.428 local terms energy: -328.603716 where: bonds (distance) C4'-P energy: -72.162 bonds (distance) P-C4' energy: -73.000 flat angles C4'-P-C4' energy: -81.033 flat angles P-C4'-P energy: -46.928 tors. eta vs tors. theta energy: -55.481 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: 118 Temperature: 1.200000 Total energy: -772.348647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.348647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.348647 (E_RNA) where: Base-Base interactions energy: -470.670 where: short stacking energy: -196.782 Base-Backbone interact. energy: -2.796 local terms energy: -298.882367 where: bonds (distance) C4'-P energy: -57.277 bonds (distance) P-C4' energy: -74.364 flat angles C4'-P-C4' energy: -67.960 flat angles P-C4'-P energy: -53.716 tors. eta vs tors. theta energy: -45.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -517.712604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.712604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.712604 (E_RNA) where: Base-Base interactions energy: -264.987 where: short stacking energy: -156.356 Base-Backbone interact. energy: 1.257 local terms energy: -253.982511 where: bonds (distance) C4'-P energy: -61.553 bonds (distance) P-C4' energy: -63.623 flat angles C4'-P-C4' energy: -57.990 flat angles P-C4'-P energy: -43.425 tors. eta vs tors. theta energy: -27.392 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: 9, replica: 10 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -399.587209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.587209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.587209 (E_RNA) where: Base-Base interactions energy: -154.292 where: short stacking energy: -104.584 Base-Backbone interact. energy: -0.632 local terms energy: -244.663033 where: bonds (distance) C4'-P energy: -67.902 bonds (distance) P-C4' energy: -83.081 flat angles C4'-P-C4' energy: -70.793 flat angles P-C4'-P energy: -28.509 tors. eta vs tors. theta energy: 5.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -320.105349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.105349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.105349 (E_RNA) where: Base-Base interactions energy: -107.431 where: short stacking energy: -90.049 Base-Backbone interact. energy: -0.323 local terms energy: -212.350758 where: bonds (distance) C4'-P energy: -55.282 bonds (distance) P-C4' energy: -64.216 flat angles C4'-P-C4' energy: -65.337 flat angles P-C4'-P energy: -32.031 tors. eta vs tors. theta energy: 4.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -1302.487804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.487804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.487804 (E_RNA) where: Base-Base interactions energy: -867.665 where: short stacking energy: -380.414 Base-Backbone interact. energy: -1.993 local terms energy: -432.830429 where: bonds (distance) C4'-P energy: -79.850 bonds (distance) P-C4' energy: -86.880 flat angles C4'-P-C4' energy: -86.506 flat angles P-C4'-P energy: -63.079 tors. eta vs tors. theta energy: -116.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -1209.050771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.050771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.050771 (E_RNA) where: Base-Base interactions energy: -785.227 where: short stacking energy: -366.902 Base-Backbone interact. energy: 0.315 local terms energy: -424.138554 where: bonds (distance) C4'-P energy: -80.086 bonds (distance) P-C4' energy: -93.246 flat angles C4'-P-C4' energy: -88.463 flat angles P-C4'-P energy: -54.495 tors. eta vs tors. theta energy: -107.848 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: 9 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -1166.510541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.510541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.510541 (E_RNA) where: Base-Base interactions energy: -764.107 where: short stacking energy: -338.105 Base-Backbone interact. energy: 2.051 local terms energy: -404.454546 where: bonds (distance) C4'-P energy: -71.711 bonds (distance) P-C4' energy: -90.074 flat angles C4'-P-C4' energy: -93.805 flat angles P-C4'-P energy: -54.689 tors. eta vs tors. theta energy: -94.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -1143.572562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.572562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.572562 (E_RNA) where: Base-Base interactions energy: -776.571 where: short stacking energy: -332.554 Base-Backbone interact. energy: -0.376 local terms energy: -366.625993 where: bonds (distance) C4'-P energy: -60.982 bonds (distance) P-C4' energy: -75.390 flat angles C4'-P-C4' energy: -82.750 flat angles P-C4'-P energy: -56.106 tors. eta vs tors. theta energy: -91.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -1079.988202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.988202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.988202 (E_RNA) where: Base-Base interactions energy: -717.105 where: short stacking energy: -304.661 Base-Backbone interact. energy: -0.991 local terms energy: -361.892169 where: bonds (distance) C4'-P energy: -65.189 bonds (distance) P-C4' energy: -80.430 flat angles C4'-P-C4' energy: -90.791 flat angles P-C4'-P energy: -53.551 tors. eta vs tors. theta energy: -71.931 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: 6, replica: 7 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -795.450893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.450893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.450893 (E_RNA) where: Base-Base interactions energy: -494.247 where: short stacking energy: -224.901 Base-Backbone interact. energy: -3.867 local terms energy: -297.337192 where: bonds (distance) C4'-P energy: -73.991 bonds (distance) P-C4' energy: -57.662 flat angles C4'-P-C4' energy: -82.720 flat angles P-C4'-P energy: -37.479 tors. eta vs tors. theta energy: -45.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -757.257718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.257718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.257718 (E_RNA) where: Base-Base interactions energy: -471.629 where: short stacking energy: -219.734 Base-Backbone interact. energy: 1.651 local terms energy: -287.279539 where: bonds (distance) C4'-P energy: -64.922 bonds (distance) P-C4' energy: -70.361 flat angles C4'-P-C4' energy: -72.887 flat angles P-C4'-P energy: -45.214 tors. eta vs tors. theta energy: -33.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -561.870046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.870046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.870046 (E_RNA) where: Base-Base interactions energy: -295.589 where: short stacking energy: -157.345 Base-Backbone interact. energy: -1.285 local terms energy: -264.995924 where: bonds (distance) C4'-P energy: -67.566 bonds (distance) P-C4' energy: -72.556 flat angles C4'-P-C4' energy: -54.463 flat angles P-C4'-P energy: -42.821 tors. eta vs tors. theta energy: -27.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -409.680521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.680521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.680521 (E_RNA) where: Base-Base interactions energy: -188.673 where: short stacking energy: -112.494 Base-Backbone interact. energy: -2.843 local terms energy: -218.164025 where: bonds (distance) C4'-P energy: -69.752 bonds (distance) P-C4' energy: -69.857 flat angles C4'-P-C4' energy: -49.303 flat angles P-C4'-P energy: -33.495 tors. eta vs tors. theta energy: 4.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -336.941724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.941724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.941724 (E_RNA) where: Base-Base interactions energy: -108.190 where: short stacking energy: -93.891 Base-Backbone interact. energy: 1.663 local terms energy: -230.414890 where: bonds (distance) C4'-P energy: -45.936 bonds (distance) P-C4' energy: -85.470 flat angles C4'-P-C4' energy: -59.610 flat angles P-C4'-P energy: -39.730 tors. eta vs tors. theta energy: 0.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -1306.138714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.138714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.138714 (E_RNA) where: Base-Base interactions energy: -880.541 where: short stacking energy: -395.876 Base-Backbone interact. energy: -0.768 local terms energy: -424.830173 where: bonds (distance) C4'-P energy: -73.860 bonds (distance) P-C4' energy: -76.736 flat angles C4'-P-C4' energy: -92.793 flat angles P-C4'-P energy: -64.963 tors. eta vs tors. theta energy: -116.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -1266.598648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.598648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.598648 (E_RNA) where: Base-Base interactions energy: -841.648 where: short stacking energy: -392.445 Base-Backbone interact. energy: -0.838 local terms energy: -424.112946 where: bonds (distance) C4'-P energy: -82.535 bonds (distance) P-C4' energy: -72.650 flat angles C4'-P-C4' energy: -95.943 flat angles P-C4'-P energy: -56.076 tors. eta vs tors. theta energy: -116.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -1201.403008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.403008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.403008 (E_RNA) where: Base-Base interactions energy: -802.878 where: short stacking energy: -350.964 Base-Backbone interact. energy: 0.534 local terms energy: -399.059342 where: bonds (distance) C4'-P energy: -83.348 bonds (distance) P-C4' energy: -77.888 flat angles C4'-P-C4' energy: -80.532 flat angles P-C4'-P energy: -59.270 tors. eta vs tors. theta energy: -98.020 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: 9 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -1150.146007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.146007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.146007 (E_RNA) where: Base-Base interactions energy: -768.655 where: short stacking energy: -306.801 Base-Backbone interact. energy: -0.754 local terms energy: -380.737728 where: bonds (distance) C4'-P energy: -71.611 bonds (distance) P-C4' energy: -78.506 flat angles C4'-P-C4' energy: -86.092 flat angles P-C4'-P energy: -55.597 tors. eta vs tors. theta energy: -88.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -1075.857120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.857120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.857120 (E_RNA) where: Base-Base interactions energy: -716.301 where: short stacking energy: -321.151 Base-Backbone interact. energy: -1.808 local terms energy: -357.748040 where: bonds (distance) C4'-P energy: -74.124 bonds (distance) P-C4' energy: -82.283 flat angles C4'-P-C4' energy: -72.450 flat angles P-C4'-P energy: -48.519 tors. eta vs tors. theta energy: -80.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -821.168681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.168681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.168681 (E_RNA) where: Base-Base interactions energy: -520.265 where: short stacking energy: -261.965 Base-Backbone interact. energy: 0.224 local terms energy: -301.127711 where: bonds (distance) C4'-P energy: -64.593 bonds (distance) P-C4' energy: -77.738 flat angles C4'-P-C4' energy: -59.989 flat angles P-C4'-P energy: -45.463 tors. eta vs tors. theta energy: -53.345 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: 7, replica: 6 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -777.486489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.486489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.486489 (E_RNA) where: Base-Base interactions energy: -482.835 where: short stacking energy: -225.653 Base-Backbone interact. energy: 1.061 local terms energy: -295.712640 where: bonds (distance) C4'-P energy: -70.379 bonds (distance) P-C4' energy: -66.702 flat angles C4'-P-C4' energy: -70.763 flat angles P-C4'-P energy: -46.714 tors. eta vs tors. theta energy: -41.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -513.943618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.943618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.943618 (E_RNA) where: Base-Base interactions energy: -279.909 where: short stacking energy: -167.972 Base-Backbone interact. energy: -2.020 local terms energy: -232.014762 where: bonds (distance) C4'-P energy: -62.944 bonds (distance) P-C4' energy: -42.779 flat angles C4'-P-C4' energy: -58.399 flat angles P-C4'-P energy: -40.754 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: 10 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -400.848050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.848050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.848050 (E_RNA) where: Base-Base interactions energy: -171.752 where: short stacking energy: -129.601 Base-Backbone interact. energy: 8.937 local terms energy: -238.032734 where: bonds (distance) C4'-P energy: -80.087 bonds (distance) P-C4' energy: -63.045 flat angles C4'-P-C4' energy: -62.057 flat angles P-C4'-P energy: -34.566 tors. eta vs tors. theta energy: 1.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -314.268959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.268959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.268959 (E_RNA) where: Base-Base interactions energy: -98.519 where: short stacking energy: -74.231 Base-Backbone interact. energy: -1.161 local terms energy: -214.588821 where: bonds (distance) C4'-P energy: -86.487 bonds (distance) P-C4' energy: -81.398 flat angles C4'-P-C4' energy: -39.439 flat angles P-C4'-P energy: -31.533 tors. eta vs tors. theta energy: 24.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -1303.348393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.348393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.348393 (E_RNA) where: Base-Base interactions energy: -866.016 where: short stacking energy: -399.931 Base-Backbone interact. energy: -1.293 local terms energy: -436.039213 where: bonds (distance) C4'-P energy: -87.646 bonds (distance) P-C4' energy: -82.603 flat angles C4'-P-C4' energy: -92.515 flat angles P-C4'-P energy: -56.918 tors. eta vs tors. theta energy: -116.357 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: 8 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -1259.432159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.432159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.432159 (E_RNA) where: Base-Base interactions energy: -844.161 where: short stacking energy: -348.733 Base-Backbone interact. energy: -1.137 local terms energy: -414.134290 where: bonds (distance) C4'-P energy: -86.426 bonds (distance) P-C4' energy: -68.867 flat angles C4'-P-C4' energy: -98.143 flat angles P-C4'-P energy: -65.997 tors. eta vs tors. theta energy: -94.701 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: 3, replica: 5 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -1235.871720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.871720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.871720 (E_RNA) where: Base-Base interactions energy: -816.508 where: short stacking energy: -391.202 Base-Backbone interact. energy: -2.054 local terms energy: -417.308959 where: bonds (distance) C4'-P energy: -75.385 bonds (distance) P-C4' energy: -75.308 flat angles C4'-P-C4' energy: -88.011 flat angles P-C4'-P energy: -60.875 tors. eta vs tors. theta energy: -117.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -1215.882562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.882562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.882562 (E_RNA) where: Base-Base interactions energy: -802.271 where: short stacking energy: -368.437 Base-Backbone interact. energy: 1.340 local terms energy: -414.951385 where: bonds (distance) C4'-P energy: -71.388 bonds (distance) P-C4' energy: -84.044 flat angles C4'-P-C4' energy: -86.088 flat angles P-C4'-P energy: -53.822 tors. eta vs tors. theta energy: -119.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -1050.840971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.840971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.840971 (E_RNA) where: Base-Base interactions energy: -679.623 where: short stacking energy: -291.340 Base-Backbone interact. energy: -4.657 local terms energy: -366.560968 where: bonds (distance) C4'-P energy: -78.498 bonds (distance) P-C4' energy: -80.722 flat angles C4'-P-C4' energy: -80.156 flat angles P-C4'-P energy: -49.603 tors. eta vs tors. theta energy: -77.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -815.037784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.037784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.037784 (E_RNA) where: Base-Base interactions energy: -496.664 where: short stacking energy: -214.963 Base-Backbone interact. energy: -0.589 local terms energy: -317.784927 where: bonds (distance) C4'-P energy: -82.835 bonds (distance) P-C4' energy: -72.178 flat angles C4'-P-C4' energy: -69.542 flat angles P-C4'-P energy: -46.577 tors. eta vs tors. theta energy: -46.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -781.171647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.171647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.171647 (E_RNA) where: Base-Base interactions energy: -489.748 where: short stacking energy: -221.864 Base-Backbone interact. energy: 0.919 local terms energy: -292.343167 where: bonds (distance) C4'-P energy: -68.511 bonds (distance) P-C4' energy: -86.914 flat angles C4'-P-C4' energy: -57.562 flat angles P-C4'-P energy: -47.879 tors. eta vs tors. theta energy: -31.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -490.554481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.554481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.554481 (E_RNA) where: Base-Base interactions energy: -239.213 where: short stacking energy: -148.257 Base-Backbone interact. energy: -4.006 local terms energy: -247.335697 where: bonds (distance) C4'-P energy: -72.579 bonds (distance) P-C4' energy: -65.011 flat angles C4'-P-C4' energy: -59.338 flat angles P-C4'-P energy: -38.515 tors. eta vs tors. theta energy: -11.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -422.655050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.655050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.655050 (E_RNA) where: Base-Base interactions energy: -160.778 where: short stacking energy: -113.249 Base-Backbone interact. energy: 0.635 local terms energy: -262.512550 where: bonds (distance) C4'-P energy: -72.629 bonds (distance) P-C4' energy: -74.107 flat angles C4'-P-C4' energy: -63.337 flat angles P-C4'-P energy: -45.981 tors. eta vs tors. theta energy: -6.459 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: 4 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -347.458972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.458972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.458972 (E_RNA) where: Base-Base interactions energy: -111.616 where: short stacking energy: -68.421 Base-Backbone interact. energy: -1.962 local terms energy: -233.880653 where: bonds (distance) C4'-P energy: -72.480 bonds (distance) P-C4' energy: -80.621 flat angles C4'-P-C4' energy: -51.263 flat angles P-C4'-P energy: -36.841 tors. eta vs tors. theta energy: 7.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -1292.236422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.236422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.236422 (E_RNA) where: Base-Base interactions energy: -876.643 where: short stacking energy: -373.719 Base-Backbone interact. energy: 0.395 local terms energy: -415.989165 where: bonds (distance) C4'-P energy: -77.053 bonds (distance) P-C4' energy: -82.052 flat angles C4'-P-C4' energy: -85.559 flat angles P-C4'-P energy: -68.179 tors. eta vs tors. theta energy: -103.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -1274.081652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.081652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.081652 (E_RNA) where: Base-Base interactions energy: -836.419 where: short stacking energy: -383.477 Base-Backbone interact. energy: -0.501 local terms energy: -437.161492 where: bonds (distance) C4'-P energy: -86.858 bonds (distance) P-C4' energy: -86.123 flat angles C4'-P-C4' energy: -89.458 flat angles P-C4'-P energy: -58.433 tors. eta vs tors. theta energy: -116.290 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: 9 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -1204.801422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.801422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.801422 (E_RNA) where: Base-Base interactions energy: -818.222 where: short stacking energy: -350.174 Base-Backbone interact. energy: -2.646 local terms energy: -383.933232 where: bonds (distance) C4'-P energy: -70.075 bonds (distance) P-C4' energy: -78.482 flat angles C4'-P-C4' energy: -90.890 flat angles P-C4'-P energy: -53.436 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: 4, replica: 5 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -1198.132409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.132409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.132409 (E_RNA) where: Base-Base interactions energy: -784.319 where: short stacking energy: -372.228 Base-Backbone interact. energy: 1.785 local terms energy: -415.598715 where: bonds (distance) C4'-P energy: -73.641 bonds (distance) P-C4' energy: -78.091 flat angles C4'-P-C4' energy: -87.230 flat angles P-C4'-P energy: -61.161 tors. eta vs tors. theta energy: -115.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -1044.315336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.315336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.315336 (E_RNA) where: Base-Base interactions energy: -693.570 where: short stacking energy: -280.415 Base-Backbone interact. energy: -3.514 local terms energy: -347.230686 where: bonds (distance) C4'-P energy: -72.762 bonds (distance) P-C4' energy: -59.640 flat angles C4'-P-C4' energy: -78.939 flat angles P-C4'-P energy: -55.754 tors. eta vs tors. theta energy: -80.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -822.812648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.812648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.812648 (E_RNA) where: Base-Base interactions energy: -488.249 where: short stacking energy: -241.470 Base-Backbone interact. energy: -1.313 local terms energy: -333.250756 where: bonds (distance) C4'-P energy: -80.408 bonds (distance) P-C4' energy: -68.830 flat angles C4'-P-C4' energy: -83.289 flat angles P-C4'-P energy: -37.135 tors. eta vs tors. theta energy: -63.588 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: 6 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -820.866934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.866934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.866934 (E_RNA) where: Base-Base interactions energy: -505.453 where: short stacking energy: -220.249 Base-Backbone interact. energy: -1.320 local terms energy: -314.093540 where: bonds (distance) C4'-P energy: -63.280 bonds (distance) P-C4' energy: -67.709 flat angles C4'-P-C4' energy: -73.687 flat angles P-C4'-P energy: -52.132 tors. eta vs tors. theta energy: -57.286 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: 2 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -517.734757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.734757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.734757 (E_RNA) where: Base-Base interactions energy: -270.928 where: short stacking energy: -172.532 Base-Backbone interact. energy: 1.750 local terms energy: -248.556557 where: bonds (distance) C4'-P energy: -59.969 bonds (distance) P-C4' energy: -78.826 flat angles C4'-P-C4' energy: -45.241 flat angles P-C4'-P energy: -49.980 tors. eta vs tors. theta energy: -14.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -437.192238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.192238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.192238 (E_RNA) where: Base-Base interactions energy: -206.883 where: short stacking energy: -145.736 Base-Backbone interact. energy: -1.676 local terms energy: -228.633218 where: bonds (distance) C4'-P energy: -68.364 bonds (distance) P-C4' energy: -59.790 flat angles C4'-P-C4' energy: -42.179 flat angles P-C4'-P energy: -36.915 tors. eta vs tors. theta energy: -21.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -325.816624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.816624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.816624 (E_RNA) where: Base-Base interactions energy: -100.220 where: short stacking energy: -88.099 Base-Backbone interact. energy: 2.214 local terms energy: -227.810446 where: bonds (distance) C4'-P energy: -70.225 bonds (distance) P-C4' energy: -71.295 flat angles C4'-P-C4' energy: -49.355 flat angles P-C4'-P energy: -42.584 tors. eta vs tors. theta energy: 5.649 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: 1, replica: 8 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -1317.714045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.714045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.714045 (E_RNA) where: Base-Base interactions energy: -901.542 where: short stacking energy: -385.247 Base-Backbone interact. energy: -0.245 local terms energy: -415.927677 where: bonds (distance) C4'-P energy: -81.089 bonds (distance) P-C4' energy: -73.501 flat angles C4'-P-C4' energy: -95.464 flat angles P-C4'-P energy: -59.678 tors. eta vs tors. theta energy: -106.195 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: 9 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -1236.246039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.246039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.246039 (E_RNA) where: Base-Base interactions energy: -815.906 where: short stacking energy: -373.268 Base-Backbone interact. energy: -0.424 local terms energy: -419.916157 where: bonds (distance) C4'-P energy: -74.970 bonds (distance) P-C4' energy: -84.200 flat angles C4'-P-C4' energy: -91.266 flat angles P-C4'-P energy: -58.194 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: 3, replica: 1 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -1232.988492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.988492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.988492 (E_RNA) where: Base-Base interactions energy: -841.792 where: short stacking energy: -396.949 Base-Backbone interact. energy: -4.222 local terms energy: -386.973719 where: bonds (distance) C4'-P energy: -64.276 bonds (distance) P-C4' energy: -68.126 flat angles C4'-P-C4' energy: -80.316 flat angles P-C4'-P energy: -57.117 tors. eta vs tors. theta energy: -117.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -1175.016304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.016304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.016304 (E_RNA) where: Base-Base interactions energy: -774.607 where: short stacking energy: -365.017 Base-Backbone interact. energy: -0.199 local terms energy: -400.209420 where: bonds (distance) C4'-P energy: -63.724 bonds (distance) P-C4' energy: -78.638 flat angles C4'-P-C4' energy: -89.631 flat angles P-C4'-P energy: -58.120 tors. eta vs tors. theta energy: -110.097 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: 3 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -1084.588806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.588806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.588806 (E_RNA) where: Base-Base interactions energy: -720.908 where: short stacking energy: -316.279 Base-Backbone interact. energy: -2.381 local terms energy: -361.299283 where: bonds (distance) C4'-P energy: -68.090 bonds (distance) P-C4' energy: -75.261 flat angles C4'-P-C4' energy: -81.078 flat angles P-C4'-P energy: -57.777 tors. eta vs tors. theta energy: -79.093 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: 7 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -799.892367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.892367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.892367 (E_RNA) where: Base-Base interactions energy: -462.386 where: short stacking energy: -213.531 Base-Backbone interact. energy: -2.015 local terms energy: -335.491720 where: bonds (distance) C4'-P energy: -79.556 bonds (distance) P-C4' energy: -75.466 flat angles C4'-P-C4' energy: -79.093 flat angles P-C4'-P energy: -54.758 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: 7, replica: 6 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -831.103567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.103567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.103567 (E_RNA) where: Base-Base interactions energy: -529.915 where: short stacking energy: -236.542 Base-Backbone interact. energy: -2.961 local terms energy: -298.226863 where: bonds (distance) C4'-P energy: -64.250 bonds (distance) P-C4' energy: -70.677 flat angles C4'-P-C4' energy: -77.319 flat angles P-C4'-P energy: -40.730 tors. eta vs tors. theta energy: -45.250 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: 2 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -510.803516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.803516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.803516 (E_RNA) where: Base-Base interactions energy: -252.533 where: short stacking energy: -145.640 Base-Backbone interact. energy: 0.631 local terms energy: -258.901995 where: bonds (distance) C4'-P energy: -75.659 bonds (distance) P-C4' energy: -65.114 flat angles C4'-P-C4' energy: -59.362 flat angles P-C4'-P energy: -37.229 tors. eta vs tors. theta energy: -21.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -390.114380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.114380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.114380 (E_RNA) where: Base-Base interactions energy: -183.736 where: short stacking energy: -96.103 Base-Backbone interact. energy: 1.481 local terms energy: -207.859206 where: bonds (distance) C4'-P energy: -69.371 bonds (distance) P-C4' energy: -81.453 flat angles C4'-P-C4' energy: -57.343 flat angles P-C4'-P energy: -11.008 tors. eta vs tors. theta energy: 11.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -339.253220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.253220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.253220 (E_RNA) where: Base-Base interactions energy: -104.672 where: short stacking energy: -101.198 Base-Backbone interact. energy: -2.469 local terms energy: -232.111820 where: bonds (distance) C4'-P energy: -76.566 bonds (distance) P-C4' energy: -70.345 flat angles C4'-P-C4' energy: -61.437 flat angles P-C4'-P energy: -9.871 tors. eta vs tors. theta energy: -13.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -1320.227729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.227729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.227729 (E_RNA) where: Base-Base interactions energy: -907.764 where: short stacking energy: -382.555 Base-Backbone interact. energy: -0.726 local terms energy: -411.737470 where: bonds (distance) C4'-P energy: -79.959 bonds (distance) P-C4' energy: -81.352 flat angles C4'-P-C4' energy: -88.606 flat angles P-C4'-P energy: -61.136 tors. eta vs tors. theta energy: -100.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -1229.943832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.943832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.943832 (E_RNA) where: Base-Base interactions energy: -830.979 where: short stacking energy: -370.367 Base-Backbone interact. energy: -0.522 local terms energy: -398.443172 where: bonds (distance) C4'-P energy: -76.592 bonds (distance) P-C4' energy: -76.814 flat angles C4'-P-C4' energy: -92.043 flat angles P-C4'-P energy: -51.384 tors. eta vs tors. theta energy: -101.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -1237.384390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.384390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.384390 (E_RNA) where: Base-Base interactions energy: -830.325 where: short stacking energy: -363.938 Base-Backbone interact. energy: -1.871 local terms energy: -405.187758 where: bonds (distance) C4'-P energy: -82.114 bonds (distance) P-C4' energy: -85.103 flat angles C4'-P-C4' energy: -78.497 flat angles P-C4'-P energy: -60.429 tors. eta vs tors. theta energy: -99.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -1124.258895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.258895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.258895 (E_RNA) where: Base-Base interactions energy: -742.147 where: short stacking energy: -337.435 Base-Backbone interact. energy: -3.002 local terms energy: -379.109890 where: bonds (distance) C4'-P energy: -73.142 bonds (distance) P-C4' energy: -77.719 flat angles C4'-P-C4' energy: -76.613 flat angles P-C4'-P energy: -46.110 tors. eta vs tors. theta energy: -105.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -1102.007930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.007930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.007930 (E_RNA) where: Base-Base interactions energy: -735.865 where: short stacking energy: -320.508 Base-Backbone interact. energy: -2.215 local terms energy: -363.927603 where: bonds (distance) C4'-P energy: -63.771 bonds (distance) P-C4' energy: -63.754 flat angles C4'-P-C4' energy: -83.389 flat angles P-C4'-P energy: -54.380 tors. eta vs tors. theta energy: -98.635 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: 7 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -756.718016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.718016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.718016 (E_RNA) where: Base-Base interactions energy: -442.045 where: short stacking energy: -216.767 Base-Backbone interact. energy: -0.893 local terms energy: -313.779597 where: bonds (distance) C4'-P energy: -70.879 bonds (distance) P-C4' energy: -75.670 flat angles C4'-P-C4' energy: -85.959 flat angles P-C4'-P energy: -40.467 tors. eta vs tors. theta energy: -40.804 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: 6 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -823.004830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.004830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.004830 (E_RNA) where: Base-Base interactions energy: -514.402 where: short stacking energy: -235.274 Base-Backbone interact. energy: -1.454 local terms energy: -307.148561 where: bonds (distance) C4'-P energy: -69.236 bonds (distance) P-C4' energy: -76.180 flat angles C4'-P-C4' energy: -74.094 flat angles P-C4'-P energy: -44.460 tors. eta vs tors. theta energy: -43.179 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: 2 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -455.946874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.946874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.946874 (E_RNA) where: Base-Base interactions energy: -231.291 where: short stacking energy: -131.017 Base-Backbone interact. energy: 0.615 local terms energy: -225.270523 where: bonds (distance) C4'-P energy: -70.217 bonds (distance) P-C4' energy: -64.188 flat angles C4'-P-C4' energy: -43.626 flat angles P-C4'-P energy: -39.105 tors. eta vs tors. theta energy: -8.136 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: 4 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -348.777107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.777107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.777107 (E_RNA) where: Base-Base interactions energy: -119.465 where: short stacking energy: -99.820 Base-Backbone interact. energy: -0.905 local terms energy: -228.407287 where: bonds (distance) C4'-P energy: -69.965 bonds (distance) P-C4' energy: -77.378 flat angles C4'-P-C4' energy: -54.892 flat angles P-C4'-P energy: -48.587 tors. eta vs tors. theta energy: 22.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -376.556280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.556280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.556280 (E_RNA) where: Base-Base interactions energy: -193.591 where: short stacking energy: -118.770 Base-Backbone interact. energy: 0.435 local terms energy: -183.400405 where: bonds (distance) C4'-P energy: -67.191 bonds (distance) P-C4' energy: -53.409 flat angles C4'-P-C4' energy: -55.458 flat angles P-C4'-P energy: -15.253 tors. eta vs tors. theta energy: 7.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -1346.492342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.492342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.492342 (E_RNA) where: Base-Base interactions energy: -918.175 where: short stacking energy: -392.110 Base-Backbone interact. energy: -0.581 local terms energy: -427.735827 where: bonds (distance) C4'-P energy: -71.163 bonds (distance) P-C4' energy: -81.111 flat angles C4'-P-C4' energy: -98.069 flat angles P-C4'-P energy: -71.316 tors. eta vs tors. theta energy: -106.077 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: 1 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -1274.836262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.836262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.836262 (E_RNA) where: Base-Base interactions energy: -874.955 where: short stacking energy: -391.195 Base-Backbone interact. energy: -1.617 local terms energy: -398.264435 where: bonds (distance) C4'-P energy: -77.378 bonds (distance) P-C4' energy: -69.804 flat angles C4'-P-C4' energy: -79.716 flat angles P-C4'-P energy: -57.315 tors. eta vs tors. theta energy: -114.051 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: 9 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -1208.255462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.255462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.255462 (E_RNA) where: Base-Base interactions energy: -821.400 where: short stacking energy: -329.419 Base-Backbone interact. energy: -1.803 local terms energy: -385.052271 where: bonds (distance) C4'-P energy: -70.665 bonds (distance) P-C4' energy: -72.662 flat angles C4'-P-C4' energy: -89.759 flat angles P-C4'-P energy: -48.218 tors. eta vs tors. theta energy: -103.748 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: 5 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -1155.064225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.064225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.064225 (E_RNA) where: Base-Base interactions energy: -758.463 where: short stacking energy: -338.081 Base-Backbone interact. energy: 0.307 local terms energy: -396.908477 where: bonds (distance) C4'-P energy: -78.031 bonds (distance) P-C4' energy: -79.323 flat angles C4'-P-C4' energy: -84.916 flat angles P-C4'-P energy: -57.948 tors. eta vs tors. theta energy: -96.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -1097.569252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.569252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.569252 (E_RNA) where: Base-Base interactions energy: -708.393 where: short stacking energy: -314.342 Base-Backbone interact. energy: -3.229 local terms energy: -385.946886 where: bonds (distance) C4'-P energy: -79.232 bonds (distance) P-C4' energy: -76.202 flat angles C4'-P-C4' energy: -86.958 flat angles P-C4'-P energy: -52.779 tors. eta vs tors. theta energy: -90.776 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: 6 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -873.719539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.719539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.719539 (E_RNA) where: Base-Base interactions energy: -558.011 where: short stacking energy: -234.268 Base-Backbone interact. energy: -0.043 local terms energy: -315.666237 where: bonds (distance) C4'-P energy: -74.146 bonds (distance) P-C4' energy: -87.950 flat angles C4'-P-C4' energy: -69.451 flat angles P-C4'-P energy: -38.993 tors. eta vs tors. theta energy: -45.125 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: 7, replica: 7 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -734.028305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.028305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.028305 (E_RNA) where: Base-Base interactions energy: -441.476 where: short stacking energy: -201.831 Base-Backbone interact. energy: -0.411 local terms energy: -292.141295 where: bonds (distance) C4'-P energy: -59.913 bonds (distance) P-C4' energy: -78.645 flat angles C4'-P-C4' energy: -70.864 flat angles P-C4'-P energy: -48.707 tors. eta vs tors. theta energy: -34.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -507.405037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.405037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.405037 (E_RNA) where: Base-Base interactions energy: -262.641 where: short stacking energy: -154.976 Base-Backbone interact. energy: 2.766 local terms energy: -247.529849 where: bonds (distance) C4'-P energy: -60.392 bonds (distance) P-C4' energy: -72.006 flat angles C4'-P-C4' energy: -65.271 flat angles P-C4'-P energy: -36.196 tors. eta vs tors. theta energy: -13.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -345.717827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.717827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.717827 (E_RNA) where: Base-Base interactions energy: -131.960 where: short stacking energy: -110.851 Base-Backbone interact. energy: -1.475 local terms energy: -212.282706 where: bonds (distance) C4'-P energy: -74.712 bonds (distance) P-C4' energy: -64.777 flat angles C4'-P-C4' energy: -53.203 flat angles P-C4'-P energy: -28.597 tors. eta vs tors. theta energy: 9.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -413.302539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.302539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.302539 (E_RNA) where: Base-Base interactions energy: -180.588 where: short stacking energy: -102.775 Base-Backbone interact. energy: 2.313 local terms energy: -235.027459 where: bonds (distance) C4'-P energy: -61.333 bonds (distance) P-C4' energy: -74.366 flat angles C4'-P-C4' energy: -65.953 flat angles P-C4'-P energy: -47.064 tors. eta vs tors. theta energy: 13.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -1315.354033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.354033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.354033 (E_RNA) where: Base-Base interactions energy: -884.917 where: short stacking energy: -407.025 Base-Backbone interact. energy: -2.151 local terms energy: -428.285971 where: bonds (distance) C4'-P energy: -79.060 bonds (distance) P-C4' energy: -78.840 flat angles C4'-P-C4' energy: -96.729 flat angles P-C4'-P energy: -52.152 tors. eta vs tors. theta energy: -121.505 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: 2, replica: 8 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -1307.780916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.780916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.780916 (E_RNA) where: Base-Base interactions energy: -914.976 where: short stacking energy: -377.224 Base-Backbone interact. energy: 0.248 local terms energy: -393.053595 where: bonds (distance) C4'-P energy: -77.687 bonds (distance) P-C4' energy: -71.890 flat angles C4'-P-C4' energy: -83.451 flat angles P-C4'-P energy: -56.462 tors. eta vs tors. theta energy: -103.563 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: 9 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -1242.910496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.910496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.910496 (E_RNA) where: Base-Base interactions energy: -846.569 where: short stacking energy: -396.366 Base-Backbone interact. energy: -1.251 local terms energy: -395.090936 where: bonds (distance) C4'-P energy: -69.381 bonds (distance) P-C4' energy: -64.515 flat angles C4'-P-C4' energy: -91.173 flat angles P-C4'-P energy: -52.025 tors. eta vs tors. theta energy: -117.998 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: 4, replica: 5 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -1173.176393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.176393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.176393 (E_RNA) where: Base-Base interactions energy: -767.702 where: short stacking energy: -359.249 Base-Backbone interact. energy: -0.706 local terms energy: -404.768536 where: bonds (distance) C4'-P energy: -70.166 bonds (distance) P-C4' energy: -86.727 flat angles C4'-P-C4' energy: -80.997 flat angles P-C4'-P energy: -59.013 tors. eta vs tors. theta energy: -107.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -1113.843301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.843301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.843301 (E_RNA) where: Base-Base interactions energy: -757.254 where: short stacking energy: -307.755 Base-Backbone interact. energy: -0.411 local terms energy: -356.177724 where: bonds (distance) C4'-P energy: -78.786 bonds (distance) P-C4' energy: -73.094 flat angles C4'-P-C4' energy: -65.485 flat angles P-C4'-P energy: -49.216 tors. eta vs tors. theta energy: -89.597 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: 6 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -915.272172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.272172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.272172 (E_RNA) where: Base-Base interactions energy: -608.872 where: short stacking energy: -255.105 Base-Backbone interact. energy: -1.180 local terms energy: -305.220854 where: bonds (distance) C4'-P energy: -69.971 bonds (distance) P-C4' energy: -73.936 flat angles C4'-P-C4' energy: -74.824 flat angles P-C4'-P energy: -35.139 tors. eta vs tors. theta energy: -51.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -788.064444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.064444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.064444 (E_RNA) where: Base-Base interactions energy: -471.239 where: short stacking energy: -226.056 Base-Backbone interact. energy: -1.087 local terms energy: -315.738743 where: bonds (distance) C4'-P energy: -75.304 bonds (distance) P-C4' energy: -76.437 flat angles C4'-P-C4' energy: -68.700 flat angles P-C4'-P energy: -43.727 tors. eta vs tors. theta energy: -51.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -493.216540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.216540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.216540 (E_RNA) where: Base-Base interactions energy: -250.130 where: short stacking energy: -134.741 Base-Backbone interact. energy: 5.953 local terms energy: -249.039518 where: bonds (distance) C4'-P energy: -75.661 bonds (distance) P-C4' energy: -73.547 flat angles C4'-P-C4' energy: -61.733 flat angles P-C4'-P energy: -29.530 tors. eta vs tors. theta energy: -8.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -367.981768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.981768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.981768 (E_RNA) where: Base-Base interactions energy: -132.951 where: short stacking energy: -93.427 Base-Backbone interact. energy: 0.246 local terms energy: -235.276826 where: bonds (distance) C4'-P energy: -69.746 bonds (distance) P-C4' energy: -68.482 flat angles C4'-P-C4' energy: -59.488 flat angles P-C4'-P energy: -46.085 tors. eta vs tors. theta energy: 8.524 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: 10, replica: 4 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -314.209485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.209485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.209485 (E_RNA) where: Base-Base interactions energy: -113.389 where: short stacking energy: -103.991 Base-Backbone interact. energy: -2.082 local terms energy: -198.737898 where: bonds (distance) C4'-P energy: -61.431 bonds (distance) P-C4' energy: -64.707 flat angles C4'-P-C4' energy: -59.914 flat angles P-C4'-P energy: -26.169 tors. eta vs tors. theta energy: 13.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -1347.992489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.992489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.992489 (E_RNA) where: Base-Base interactions energy: -922.407 where: short stacking energy: -409.828 Base-Backbone interact. energy: -2.627 local terms energy: -422.958998 where: bonds (distance) C4'-P energy: -77.151 bonds (distance) P-C4' energy: -69.945 flat angles C4'-P-C4' energy: -90.582 flat angles P-C4'-P energy: -61.370 tors. eta vs tors. theta energy: -123.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -1309.068641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.068641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.068641 (E_RNA) where: Base-Base interactions energy: -893.023 where: short stacking energy: -384.798 Base-Backbone interact. energy: 1.782 local terms energy: -417.827648 where: bonds (distance) C4'-P energy: -81.722 bonds (distance) P-C4' energy: -83.061 flat angles C4'-P-C4' energy: -86.785 flat angles P-C4'-P energy: -61.410 tors. eta vs tors. theta energy: -104.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -1203.119368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.119368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.119368 (E_RNA) where: Base-Base interactions energy: -800.439 where: short stacking energy: -356.908 Base-Backbone interact. energy: -0.898 local terms energy: -401.782157 where: bonds (distance) C4'-P energy: -84.615 bonds (distance) P-C4' energy: -78.550 flat angles C4'-P-C4' energy: -71.029 flat angles P-C4'-P energy: -65.566 tors. eta vs tors. theta energy: -102.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -1101.260209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.260209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.260209 (E_RNA) where: Base-Base interactions energy: -724.662 where: short stacking energy: -329.173 Base-Backbone interact. energy: -3.042 local terms energy: -373.556869 where: bonds (distance) C4'-P energy: -67.778 bonds (distance) P-C4' energy: -87.192 flat angles C4'-P-C4' energy: -89.926 flat angles P-C4'-P energy: -45.241 tors. eta vs tors. theta energy: -83.420 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: 5 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -1113.887080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.887080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.887080 (E_RNA) where: Base-Base interactions energy: -721.270 where: short stacking energy: -332.801 Base-Backbone interact. energy: 0.092 local terms energy: -392.708916 where: bonds (distance) C4'-P energy: -72.211 bonds (distance) P-C4' energy: -81.995 flat angles C4'-P-C4' energy: -77.488 flat angles P-C4'-P energy: -57.717 tors. eta vs tors. theta energy: -103.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -868.475080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.475080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.475080 (E_RNA) where: Base-Base interactions energy: -551.178 where: short stacking energy: -278.682 Base-Backbone interact. energy: 0.552 local terms energy: -317.849556 where: bonds (distance) C4'-P energy: -68.398 bonds (distance) P-C4' energy: -64.137 flat angles C4'-P-C4' energy: -81.871 flat angles P-C4'-P energy: -45.794 tors. eta vs tors. theta energy: -57.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -752.839847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.839847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.839847 (E_RNA) where: Base-Base interactions energy: -460.592 where: short stacking energy: -214.950 Base-Backbone interact. energy: 1.646 local terms energy: -293.893862 where: bonds (distance) C4'-P energy: -68.884 bonds (distance) P-C4' energy: -81.571 flat angles C4'-P-C4' energy: -62.409 flat angles P-C4'-P energy: -45.081 tors. eta vs tors. theta energy: -35.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -516.496899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.496899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.496899 (E_RNA) where: Base-Base interactions energy: -246.235 where: short stacking energy: -133.610 Base-Backbone interact. energy: -2.691 local terms energy: -267.570805 where: bonds (distance) C4'-P energy: -69.904 bonds (distance) P-C4' energy: -83.801 flat angles C4'-P-C4' energy: -58.289 flat angles P-C4'-P energy: -44.058 tors. eta vs tors. theta energy: -11.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -352.899610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.899610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.899610 (E_RNA) where: Base-Base interactions energy: -131.196 where: short stacking energy: -120.718 Base-Backbone interact. energy: -0.374 local terms energy: -221.329302 where: bonds (distance) C4'-P energy: -68.546 bonds (distance) P-C4' energy: -59.528 flat angles C4'-P-C4' energy: -52.023 flat angles P-C4'-P energy: -43.734 tors. eta vs tors. theta energy: 2.501 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: 4 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -328.488640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.488640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.488640 (E_RNA) where: Base-Base interactions energy: -106.289 where: short stacking energy: -85.383 Base-Backbone interact. energy: 0.093 local terms energy: -222.292264 where: bonds (distance) C4'-P energy: -68.156 bonds (distance) P-C4' energy: -69.569 flat angles C4'-P-C4' energy: -63.552 flat angles P-C4'-P energy: -33.737 tors. eta vs tors. theta energy: 12.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -1351.220568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.220568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.220568 (E_RNA) where: Base-Base interactions energy: -904.215 where: short stacking energy: -404.481 Base-Backbone interact. energy: -2.892 local terms energy: -444.114216 where: bonds (distance) C4'-P energy: -79.328 bonds (distance) P-C4' energy: -91.552 flat angles C4'-P-C4' energy: -88.884 flat angles P-C4'-P energy: -67.196 tors. eta vs tors. theta energy: -117.154 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: 2, replica: 8 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -1311.435362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.435362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.435362 (E_RNA) where: Base-Base interactions energy: -899.181 where: short stacking energy: -380.671 Base-Backbone interact. energy: -2.670 local terms energy: -409.584116 where: bonds (distance) C4'-P energy: -78.830 bonds (distance) P-C4' energy: -78.051 flat angles C4'-P-C4' energy: -89.665 flat angles P-C4'-P energy: -59.912 tors. eta vs tors. theta energy: -103.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -1228.252183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.252183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.252183 (E_RNA) where: Base-Base interactions energy: -825.675 where: short stacking energy: -369.338 Base-Backbone interact. energy: -0.567 local terms energy: -402.009872 where: bonds (distance) C4'-P energy: -79.515 bonds (distance) P-C4' energy: -68.962 flat angles C4'-P-C4' energy: -91.258 flat angles P-C4'-P energy: -52.779 tors. eta vs tors. theta energy: -109.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -1085.927994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.927994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.927994 (E_RNA) where: Base-Base interactions energy: -721.597 where: short stacking energy: -315.561 Base-Backbone interact. energy: -0.331 local terms energy: -363.999927 where: bonds (distance) C4'-P energy: -75.523 bonds (distance) P-C4' energy: -84.191 flat angles C4'-P-C4' energy: -81.920 flat angles P-C4'-P energy: -38.556 tors. eta vs tors. theta energy: -83.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -1120.009746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.009746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.009746 (E_RNA) where: Base-Base interactions energy: -723.285 where: short stacking energy: -323.549 Base-Backbone interact. energy: -0.571 local terms energy: -396.153226 where: bonds (distance) C4'-P energy: -81.893 bonds (distance) P-C4' energy: -75.566 flat angles C4'-P-C4' energy: -78.487 flat angles P-C4'-P energy: -61.183 tors. eta vs tors. theta energy: -99.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -899.868180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.868180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.868180 (E_RNA) where: Base-Base interactions energy: -573.727 where: short stacking energy: -271.962 Base-Backbone interact. energy: -2.368 local terms energy: -323.772806 where: bonds (distance) C4'-P energy: -65.073 bonds (distance) P-C4' energy: -70.148 flat angles C4'-P-C4' energy: -76.332 flat angles P-C4'-P energy: -49.065 tors. eta vs tors. theta energy: -63.156 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: 7 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -763.422969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.422969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.422969 (E_RNA) where: Base-Base interactions energy: -438.175 where: short stacking energy: -207.613 Base-Backbone interact. energy: -0.328 local terms energy: -324.920807 where: bonds (distance) C4'-P energy: -70.223 bonds (distance) P-C4' energy: -79.592 flat angles C4'-P-C4' energy: -85.578 flat angles P-C4'-P energy: -47.175 tors. eta vs tors. theta energy: -42.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -525.857988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.857988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.857988 (E_RNA) where: Base-Base interactions energy: -272.382 where: short stacking energy: -147.748 Base-Backbone interact. energy: 8.748 local terms energy: -262.223844 where: bonds (distance) C4'-P energy: -64.774 bonds (distance) P-C4' energy: -73.248 flat angles C4'-P-C4' energy: -64.483 flat angles P-C4'-P energy: -50.348 tors. eta vs tors. theta energy: -9.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -329.353639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.353639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.353639 (E_RNA) where: Base-Base interactions energy: -101.759 where: short stacking energy: -82.059 Base-Backbone interact. energy: -0.894 local terms energy: -226.700969 where: bonds (distance) C4'-P energy: -79.283 bonds (distance) P-C4' energy: -72.698 flat angles C4'-P-C4' energy: -58.171 flat angles P-C4'-P energy: -35.260 tors. eta vs tors. theta energy: 18.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -352.467817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.467817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.467817 (E_RNA) where: Base-Base interactions energy: -131.761 where: short stacking energy: -105.699 Base-Backbone interact. energy: 1.985 local terms energy: -222.691390 where: bonds (distance) C4'-P energy: -63.044 bonds (distance) P-C4' energy: -80.941 flat angles C4'-P-C4' energy: -57.121 flat angles P-C4'-P energy: -31.759 tors. eta vs tors. theta energy: 10.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -1344.444477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.444477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.444477 (E_RNA) where: Base-Base interactions energy: -899.554 where: short stacking energy: -391.460 Base-Backbone interact. energy: -4.475 local terms energy: -440.415416 where: bonds (distance) C4'-P energy: -79.162 bonds (distance) P-C4' energy: -86.157 flat angles C4'-P-C4' energy: -96.051 flat angles P-C4'-P energy: -59.760 tors. eta vs tors. theta energy: -119.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -1296.595288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.595288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.595288 (E_RNA) where: Base-Base interactions energy: -897.152 where: short stacking energy: -374.738 Base-Backbone interact. energy: -2.713 local terms energy: -396.730684 where: bonds (distance) C4'-P energy: -80.341 bonds (distance) P-C4' energy: -77.737 flat angles C4'-P-C4' energy: -91.630 flat angles P-C4'-P energy: -45.691 tors. eta vs tors. theta energy: -101.332 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: 9 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -1246.673962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.673962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.673962 (E_RNA) where: Base-Base interactions energy: -844.654 where: short stacking energy: -364.008 Base-Backbone interact. energy: -1.400 local terms energy: -400.619053 where: bonds (distance) C4'-P energy: -70.443 bonds (distance) P-C4' energy: -81.683 flat angles C4'-P-C4' energy: -87.868 flat angles P-C4'-P energy: -58.458 tors. eta vs tors. theta energy: -102.167 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: 5 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -1169.233225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.233225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.233225 (E_RNA) where: Base-Base interactions energy: -763.092 where: short stacking energy: -336.102 Base-Backbone interact. energy: -2.214 local terms energy: -403.927398 where: bonds (distance) C4'-P energy: -71.941 bonds (distance) P-C4' energy: -82.106 flat angles C4'-P-C4' energy: -91.710 flat angles P-C4'-P energy: -52.817 tors. eta vs tors. theta energy: -105.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -1085.182851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.182851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.182851 (E_RNA) where: Base-Base interactions energy: -713.126 where: short stacking energy: -306.383 Base-Backbone interact. energy: -2.537 local terms energy: -369.520397 where: bonds (distance) C4'-P energy: -73.203 bonds (distance) P-C4' energy: -76.653 flat angles C4'-P-C4' energy: -77.941 flat angles P-C4'-P energy: -59.323 tors. eta vs tors. theta energy: -82.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -916.617256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.617256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.617256 (E_RNA) where: Base-Base interactions energy: -611.238 where: short stacking energy: -278.399 Base-Backbone interact. energy: -0.815 local terms energy: -304.564586 where: bonds (distance) C4'-P energy: -46.473 bonds (distance) P-C4' energy: -70.575 flat angles C4'-P-C4' energy: -78.081 flat angles P-C4'-P energy: -45.654 tors. eta vs tors. theta energy: -63.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -827.947799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.947799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.947799 (E_RNA) where: Base-Base interactions energy: -553.861 where: short stacking energy: -235.185 Base-Backbone interact. energy: -1.570 local terms energy: -272.517098 where: bonds (distance) C4'-P energy: -49.883 bonds (distance) P-C4' energy: -63.930 flat angles C4'-P-C4' energy: -59.553 flat angles P-C4'-P energy: -46.043 tors. eta vs tors. theta energy: -53.109 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: 2 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -552.205257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.205257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.205257 (E_RNA) where: Base-Base interactions energy: -294.771 where: short stacking energy: -167.284 Base-Backbone interact. energy: -1.081 local terms energy: -256.352759 where: bonds (distance) C4'-P energy: -66.349 bonds (distance) P-C4' energy: -69.121 flat angles C4'-P-C4' energy: -64.901 flat angles P-C4'-P energy: -35.341 tors. eta vs tors. theta energy: -20.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -362.701497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.701497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.701497 (E_RNA) where: Base-Base interactions energy: -133.428 where: short stacking energy: -112.166 Base-Backbone interact. energy: -1.664 local terms energy: -227.609945 where: bonds (distance) C4'-P energy: -59.954 bonds (distance) P-C4' energy: -71.270 flat angles C4'-P-C4' energy: -64.189 flat angles P-C4'-P energy: -35.380 tors. eta vs tors. theta energy: 3.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -296.401962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.401962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.401962 (E_RNA) where: Base-Base interactions energy: -94.729 where: short stacking energy: -69.457 Base-Backbone interact. energy: -0.202 local terms energy: -201.470339 where: bonds (distance) C4'-P energy: -55.736 bonds (distance) P-C4' energy: -81.570 flat angles C4'-P-C4' energy: -55.467 flat angles P-C4'-P energy: -30.829 tors. eta vs tors. theta energy: 22.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -1354.983770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.983770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.983770 (E_RNA) where: Base-Base interactions energy: -908.516 where: short stacking energy: -400.724 Base-Backbone interact. energy: -1.632 local terms energy: -444.836051 where: bonds (distance) C4'-P energy: -94.442 bonds (distance) P-C4' energy: -83.717 flat angles C4'-P-C4' energy: -91.961 flat angles P-C4'-P energy: -56.429 tors. eta vs tors. theta energy: -118.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -1316.831103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.831103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.831103 (E_RNA) where: Base-Base interactions energy: -908.565 where: short stacking energy: -386.560 Base-Backbone interact. energy: -3.122 local terms energy: -405.144596 where: bonds (distance) C4'-P energy: -71.352 bonds (distance) P-C4' energy: -86.356 flat angles C4'-P-C4' energy: -79.664 flat angles P-C4'-P energy: -62.528 tors. eta vs tors. theta energy: -105.244 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: 3, replica: 9 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -1249.682829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.682829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.682829 (E_RNA) where: Base-Base interactions energy: -852.199 where: short stacking energy: -370.473 Base-Backbone interact. energy: -1.345 local terms energy: -396.139149 where: bonds (distance) C4'-P energy: -64.274 bonds (distance) P-C4' energy: -79.347 flat angles C4'-P-C4' energy: -94.177 flat angles P-C4'-P energy: -46.477 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: 5 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -1162.975412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.975412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.975412 (E_RNA) where: Base-Base interactions energy: -757.079 where: short stacking energy: -366.842 Base-Backbone interact. energy: -0.552 local terms energy: -405.344442 where: bonds (distance) C4'-P energy: -70.687 bonds (distance) P-C4' energy: -69.692 flat angles C4'-P-C4' energy: -90.775 flat angles P-C4'-P energy: -56.103 tors. eta vs tors. theta energy: -118.087 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: 5, replica: 3 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -1086.352746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.352746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.352746 (E_RNA) where: Base-Base interactions energy: -733.770 where: short stacking energy: -313.570 Base-Backbone interact. energy: -0.218 local terms energy: -352.364603 where: bonds (distance) C4'-P energy: -75.698 bonds (distance) P-C4' energy: -73.670 flat angles C4'-P-C4' energy: -86.022 flat angles P-C4'-P energy: -34.210 tors. eta vs tors. theta energy: -82.766 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: 6 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -904.907525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.907525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.907525 (E_RNA) where: Base-Base interactions energy: -589.802 where: short stacking energy: -259.841 Base-Backbone interact. energy: 0.401 local terms energy: -315.506464 where: bonds (distance) C4'-P energy: -63.034 bonds (distance) P-C4' energy: -71.616 flat angles C4'-P-C4' energy: -82.732 flat angles P-C4'-P energy: -42.076 tors. eta vs tors. theta energy: -56.048 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: 7 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -802.632596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.632596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.632596 (E_RNA) where: Base-Base interactions energy: -494.754 where: short stacking energy: -226.321 Base-Backbone interact. energy: -2.187 local terms energy: -305.691233 where: bonds (distance) C4'-P energy: -67.947 bonds (distance) P-C4' energy: -70.006 flat angles C4'-P-C4' energy: -64.389 flat angles P-C4'-P energy: -47.848 tors. eta vs tors. theta energy: -55.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -563.141974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.141974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.141974 (E_RNA) where: Base-Base interactions energy: -311.106 where: short stacking energy: -168.441 Base-Backbone interact. energy: 1.302 local terms energy: -253.338097 where: bonds (distance) C4'-P energy: -65.258 bonds (distance) P-C4' energy: -71.148 flat angles C4'-P-C4' energy: -66.922 flat angles P-C4'-P energy: -40.559 tors. eta vs tors. theta energy: -9.452 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: 9, replica: 10 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -364.037026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.037026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.037026 (E_RNA) where: Base-Base interactions energy: -103.862 where: short stacking energy: -95.914 Base-Backbone interact. energy: 0.441 local terms energy: -260.615534 where: bonds (distance) C4'-P energy: -81.122 bonds (distance) P-C4' energy: -81.185 flat angles C4'-P-C4' energy: -62.782 flat angles P-C4'-P energy: -45.090 tors. eta vs tors. theta energy: 9.564 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: 4 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -339.490286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.490286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.490286 (E_RNA) where: Base-Base interactions energy: -128.181 where: short stacking energy: -83.706 Base-Backbone interact. energy: 0.927 local terms energy: -212.236332 where: bonds (distance) C4'-P energy: -66.529 bonds (distance) P-C4' energy: -67.496 flat angles C4'-P-C4' energy: -59.670 flat angles P-C4'-P energy: -26.723 tors. eta vs tors. theta energy: 8.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -1343.761433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.761433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.761433 (E_RNA) where: Base-Base interactions energy: -909.376 where: short stacking energy: -390.250 Base-Backbone interact. energy: -1.955 local terms energy: -432.429620 where: bonds (distance) C4'-P energy: -84.290 bonds (distance) P-C4' energy: -83.847 flat angles C4'-P-C4' energy: -98.272 flat angles P-C4'-P energy: -51.086 tors. eta vs tors. theta energy: -114.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -1301.349166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.349166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.349166 (E_RNA) where: Base-Base interactions energy: -878.123 where: short stacking energy: -380.807 Base-Backbone interact. energy: -2.060 local terms energy: -421.166173 where: bonds (distance) C4'-P energy: -76.674 bonds (distance) P-C4' energy: -79.568 flat angles C4'-P-C4' energy: -88.169 flat angles P-C4'-P energy: -69.417 tors. eta vs tors. theta energy: -107.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -1243.348668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.348668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.348668 (E_RNA) where: Base-Base interactions energy: -839.681 where: short stacking energy: -360.401 Base-Backbone interact. energy: -1.271 local terms energy: -402.396765 where: bonds (distance) C4'-P energy: -72.074 bonds (distance) P-C4' energy: -76.457 flat angles C4'-P-C4' energy: -92.041 flat angles P-C4'-P energy: -59.028 tors. eta vs tors. theta energy: -102.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -1171.218205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.218205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.218205 (E_RNA) where: Base-Base interactions energy: -768.764 where: short stacking energy: -356.126 Base-Backbone interact. energy: 2.558 local terms energy: -405.011363 where: bonds (distance) C4'-P energy: -76.299 bonds (distance) P-C4' energy: -77.586 flat angles C4'-P-C4' energy: -85.637 flat angles P-C4'-P energy: -57.514 tors. eta vs tors. theta energy: -107.976 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: 3 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -1096.886505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.886505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.886505 (E_RNA) where: Base-Base interactions energy: -732.443 where: short stacking energy: -316.398 Base-Backbone interact. energy: -2.557 local terms energy: -361.886231 where: bonds (distance) C4'-P energy: -82.261 bonds (distance) P-C4' energy: -59.984 flat angles C4'-P-C4' energy: -83.161 flat angles P-C4'-P energy: -52.288 tors. eta vs tors. theta energy: -84.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -935.733881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.733881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.733881 (E_RNA) where: Base-Base interactions energy: -594.917 where: short stacking energy: -271.131 Base-Backbone interact. energy: -0.888 local terms energy: -339.928886 where: bonds (distance) C4'-P energy: -79.975 bonds (distance) P-C4' energy: -80.151 flat angles C4'-P-C4' energy: -72.997 flat angles P-C4'-P energy: -33.179 tors. eta vs tors. theta energy: -73.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -796.540315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.540315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.540315 (E_RNA) where: Base-Base interactions energy: -472.158 where: short stacking energy: -209.974 Base-Backbone interact. energy: -2.770 local terms energy: -321.612351 where: bonds (distance) C4'-P energy: -72.112 bonds (distance) P-C4' energy: -67.552 flat angles C4'-P-C4' energy: -77.366 flat angles P-C4'-P energy: -54.520 tors. eta vs tors. theta energy: -50.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -570.410109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.410109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.410109 (E_RNA) where: Base-Base interactions energy: -335.222 where: short stacking energy: -168.344 Base-Backbone interact. energy: -1.025 local terms energy: -234.162468 where: bonds (distance) C4'-P energy: -55.716 bonds (distance) P-C4' energy: -69.037 flat angles C4'-P-C4' energy: -62.437 flat angles P-C4'-P energy: -33.748 tors. eta vs tors. theta energy: -13.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -374.549867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.549867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.549867 (E_RNA) where: Base-Base interactions energy: -124.823 where: short stacking energy: -110.407 Base-Backbone interact. energy: 0.050 local terms energy: -249.776403 where: bonds (distance) C4'-P energy: -63.503 bonds (distance) P-C4' energy: -76.343 flat angles C4'-P-C4' energy: -66.764 flat angles P-C4'-P energy: -38.650 tors. eta vs tors. theta energy: -4.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -313.196278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.196278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.196278 (E_RNA) where: Base-Base interactions energy: -93.432 where: short stacking energy: -83.423 Base-Backbone interact. energy: 5.935 local terms energy: -225.699179 where: bonds (distance) C4'-P energy: -64.791 bonds (distance) P-C4' energy: -80.446 flat angles C4'-P-C4' energy: -63.793 flat angles P-C4'-P energy: -30.363 tors. eta vs tors. theta energy: 13.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -1350.321856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.321856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.321856 (E_RNA) where: Base-Base interactions energy: -896.661 where: short stacking energy: -408.620 Base-Backbone interact. energy: -3.851 local terms energy: -449.809683 where: bonds (distance) C4'-P energy: -79.082 bonds (distance) P-C4' energy: -79.015 flat angles C4'-P-C4' energy: -97.013 flat angles P-C4'-P energy: -68.463 tors. eta vs tors. theta energy: -126.236 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: 8 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -1276.347365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.347365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.347365 (E_RNA) where: Base-Base interactions energy: -872.106 where: short stacking energy: -375.770 Base-Backbone interact. energy: -1.129 local terms energy: -403.112486 where: bonds (distance) C4'-P energy: -77.571 bonds (distance) P-C4' energy: -73.544 flat angles C4'-P-C4' energy: -91.114 flat angles P-C4'-P energy: -55.998 tors. eta vs tors. theta energy: -104.886 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: 3, replica: 9 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -1248.489671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.489671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.489671 (E_RNA) where: Base-Base interactions energy: -827.596 where: short stacking energy: -365.510 Base-Backbone interact. energy: -2.255 local terms energy: -418.638726 where: bonds (distance) C4'-P energy: -85.804 bonds (distance) P-C4' energy: -72.122 flat angles C4'-P-C4' energy: -93.119 flat angles P-C4'-P energy: -60.370 tors. eta vs tors. theta energy: -107.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -1194.613827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.613827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.613827 (E_RNA) where: Base-Base interactions energy: -782.492 where: short stacking energy: -373.106 Base-Backbone interact. energy: 3.181 local terms energy: -415.303005 where: bonds (distance) C4'-P energy: -79.914 bonds (distance) P-C4' energy: -73.844 flat angles C4'-P-C4' energy: -89.891 flat angles P-C4'-P energy: -63.234 tors. eta vs tors. theta energy: -108.420 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: 3 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -1096.973417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.973417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.973417 (E_RNA) where: Base-Base interactions energy: -746.959 where: short stacking energy: -312.736 Base-Backbone interact. energy: -2.413 local terms energy: -347.602110 where: bonds (distance) C4'-P energy: -66.297 bonds (distance) P-C4' energy: -76.770 flat angles C4'-P-C4' energy: -70.945 flat angles P-C4'-P energy: -41.122 tors. eta vs tors. theta energy: -92.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -937.431791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.431791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.431791 (E_RNA) where: Base-Base interactions energy: -592.881 where: short stacking energy: -259.161 Base-Backbone interact. energy: -1.924 local terms energy: -342.626784 where: bonds (distance) C4'-P energy: -64.979 bonds (distance) P-C4' energy: -77.533 flat angles C4'-P-C4' energy: -79.273 flat angles P-C4'-P energy: -62.497 tors. eta vs tors. theta energy: -58.346 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: 7 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -800.414231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.414231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.414231 (E_RNA) where: Base-Base interactions energy: -480.255 where: short stacking energy: -222.240 Base-Backbone interact. energy: -2.514 local terms energy: -317.645449 where: bonds (distance) C4'-P energy: -78.269 bonds (distance) P-C4' energy: -71.291 flat angles C4'-P-C4' energy: -67.787 flat angles P-C4'-P energy: -49.431 tors. eta vs tors. theta energy: -50.868 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: 2 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -647.149403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.149403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.149403 (E_RNA) where: Base-Base interactions energy: -360.290 where: short stacking energy: -178.768 Base-Backbone interact. energy: 1.200 local terms energy: -288.058868 where: bonds (distance) C4'-P energy: -66.326 bonds (distance) P-C4' energy: -74.578 flat angles C4'-P-C4' energy: -69.618 flat angles P-C4'-P energy: -47.887 tors. eta vs tors. theta energy: -29.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -339.730884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.730884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.730884 (E_RNA) where: Base-Base interactions energy: -133.842 where: short stacking energy: -111.232 Base-Backbone interact. energy: -1.218 local terms energy: -204.670997 where: bonds (distance) C4'-P energy: -55.233 bonds (distance) P-C4' energy: -64.489 flat angles C4'-P-C4' energy: -61.701 flat angles P-C4'-P energy: -28.814 tors. eta vs tors. theta energy: 5.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -327.074565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.074565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.074565 (E_RNA) where: Base-Base interactions energy: -105.544 where: short stacking energy: -82.182 Base-Backbone interact. energy: 0.463 local terms energy: -221.992701 where: bonds (distance) C4'-P energy: -65.742 bonds (distance) P-C4' energy: -78.292 flat angles C4'-P-C4' energy: -52.223 flat angles P-C4'-P energy: -35.323 tors. eta vs tors. theta energy: 9.588 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: 1 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -1346.994267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.994267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.994267 (E_RNA) where: Base-Base interactions energy: -911.594 where: short stacking energy: -385.262 Base-Backbone interact. energy: -4.551 local terms energy: -430.849438 where: bonds (distance) C4'-P energy: -76.671 bonds (distance) P-C4' energy: -78.372 flat angles C4'-P-C4' energy: -92.087 flat angles P-C4'-P energy: -67.500 tors. eta vs tors. theta energy: -116.219 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: 8 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -1292.479887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.479887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.479887 (E_RNA) where: Base-Base interactions energy: -884.222 where: short stacking energy: -370.835 Base-Backbone interact. energy: -2.396 local terms energy: -405.862056 where: bonds (distance) C4'-P energy: -69.734 bonds (distance) P-C4' energy: -78.152 flat angles C4'-P-C4' energy: -91.633 flat angles P-C4'-P energy: -64.405 tors. eta vs tors. theta energy: -101.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -1246.717011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.717011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.717011 (E_RNA) where: Base-Base interactions energy: -846.572 where: short stacking energy: -365.253 Base-Backbone interact. energy: -0.914 local terms energy: -399.230551 where: bonds (distance) C4'-P energy: -78.895 bonds (distance) P-C4' energy: -81.052 flat angles C4'-P-C4' energy: -79.058 flat angles P-C4'-P energy: -52.470 tors. eta vs tors. theta energy: -107.755 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: 5 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -1192.557289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.557289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.557289 (E_RNA) where: Base-Base interactions energy: -770.193 where: short stacking energy: -352.103 Base-Backbone interact. energy: -0.622 local terms energy: -421.742985 where: bonds (distance) C4'-P energy: -89.009 bonds (distance) P-C4' energy: -83.098 flat angles C4'-P-C4' energy: -81.512 flat angles P-C4'-P energy: -55.259 tors. eta vs tors. theta energy: -112.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -1091.799495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.799495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.799495 (E_RNA) where: Base-Base interactions energy: -733.570 where: short stacking energy: -308.465 Base-Backbone interact. energy: -2.413 local terms energy: -355.816308 where: bonds (distance) C4'-P energy: -72.676 bonds (distance) P-C4' energy: -66.413 flat angles C4'-P-C4' energy: -77.698 flat angles P-C4'-P energy: -54.549 tors. eta vs tors. theta energy: -84.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -896.001505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.001505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.001505 (E_RNA) where: Base-Base interactions energy: -568.827 where: short stacking energy: -276.362 Base-Backbone interact. energy: 0.064 local terms energy: -327.238483 where: bonds (distance) C4'-P energy: -68.182 bonds (distance) P-C4' energy: -73.647 flat angles C4'-P-C4' energy: -75.586 flat angles P-C4'-P energy: -47.084 tors. eta vs tors. theta energy: -62.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -851.711577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.711577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.711577 (E_RNA) where: Base-Base interactions energy: -541.193 where: short stacking energy: -244.390 Base-Backbone interact. energy: -0.902 local terms energy: -309.616508 where: bonds (distance) C4'-P energy: -66.011 bonds (distance) P-C4' energy: -72.372 flat angles C4'-P-C4' energy: -72.800 flat angles P-C4'-P energy: -36.885 tors. eta vs tors. theta energy: -61.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -596.605467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.605467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.605467 (E_RNA) where: Base-Base interactions energy: -343.553 where: short stacking energy: -204.625 Base-Backbone interact. energy: -0.056 local terms energy: -252.995621 where: bonds (distance) C4'-P energy: -64.256 bonds (distance) P-C4' energy: -61.480 flat angles C4'-P-C4' energy: -69.527 flat angles P-C4'-P energy: -37.985 tors. eta vs tors. theta energy: -19.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -373.733714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.733714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.733714 (E_RNA) where: Base-Base interactions energy: -149.226 where: short stacking energy: -113.296 Base-Backbone interact. energy: 0.659 local terms energy: -225.166577 where: bonds (distance) C4'-P energy: -62.730 bonds (distance) P-C4' energy: -63.692 flat angles C4'-P-C4' energy: -70.695 flat angles P-C4'-P energy: -32.401 tors. eta vs tors. theta energy: 4.350 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: 10, replica: 10 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -339.049485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.049485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.049485 (E_RNA) where: Base-Base interactions energy: -132.964 where: short stacking energy: -127.724 Base-Backbone interact. energy: -0.196 local terms energy: -205.889412 where: bonds (distance) C4'-P energy: -67.693 bonds (distance) P-C4' energy: -61.831 flat angles C4'-P-C4' energy: -52.889 flat angles P-C4'-P energy: -32.254 tors. eta vs tors. theta energy: 8.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -1346.858040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.858040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.858040 (E_RNA) where: Base-Base interactions energy: -912.789 where: short stacking energy: -389.220 Base-Backbone interact. energy: 0.430 local terms energy: -434.498942 where: bonds (distance) C4'-P energy: -76.917 bonds (distance) P-C4' energy: -84.516 flat angles C4'-P-C4' energy: -95.024 flat angles P-C4'-P energy: -63.089 tors. eta vs tors. theta energy: -114.954 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: 134 Temperature: 0.950000 Total energy: -1295.903648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.903648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.903648 (E_RNA) where: Base-Base interactions energy: -874.294 where: short stacking energy: -372.910 Base-Backbone interact. energy: -1.104 local terms energy: -420.505454 where: bonds (distance) C4'-P energy: -81.167 bonds (distance) P-C4' energy: -87.117 flat angles C4'-P-C4' energy: -83.803 flat angles P-C4'-P energy: -60.420 tors. eta vs tors. theta energy: -107.997 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: 3, replica: 9 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -1223.736604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.736604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.736604 (E_RNA) where: Base-Base interactions energy: -815.958 where: short stacking energy: -372.280 Base-Backbone interact. energy: -0.837 local terms energy: -406.942003 where: bonds (distance) C4'-P energy: -69.645 bonds (distance) P-C4' energy: -79.778 flat angles C4'-P-C4' energy: -86.508 flat angles P-C4'-P energy: -59.640 tors. eta vs tors. theta energy: -111.371 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: 4, replica: 5 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -1195.640670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.640670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.640670 (E_RNA) where: Base-Base interactions energy: -770.967 where: short stacking energy: -351.365 Base-Backbone interact. energy: -1.154 local terms energy: -423.519576 where: bonds (distance) C4'-P energy: -70.920 bonds (distance) P-C4' energy: -85.246 flat angles C4'-P-C4' energy: -94.679 flat angles P-C4'-P energy: -67.446 tors. eta vs tors. theta energy: -105.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -1166.646014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.646014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.646014 (E_RNA) where: Base-Base interactions energy: -782.263 where: short stacking energy: -332.609 Base-Backbone interact. energy: -1.430 local terms energy: -382.953047 where: bonds (distance) C4'-P energy: -78.545 bonds (distance) P-C4' energy: -76.325 flat angles C4'-P-C4' energy: -80.536 flat angles P-C4'-P energy: -48.490 tors. eta vs tors. theta energy: -99.057 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: 6 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -867.078656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.078656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.078656 (E_RNA) where: Base-Base interactions energy: -547.861 where: short stacking energy: -241.304 Base-Backbone interact. energy: -1.917 local terms energy: -317.299849 where: bonds (distance) C4'-P energy: -75.919 bonds (distance) P-C4' energy: -73.985 flat angles C4'-P-C4' energy: -72.887 flat angles P-C4'-P energy: -38.491 tors. eta vs tors. theta energy: -56.018 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: 7, replica: 7 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -837.430147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.430147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.430147 (E_RNA) where: Base-Base interactions energy: -521.786 where: short stacking energy: -224.129 Base-Backbone interact. energy: -2.888 local terms energy: -312.755833 where: bonds (distance) C4'-P energy: -57.458 bonds (distance) P-C4' energy: -91.020 flat angles C4'-P-C4' energy: -77.285 flat angles P-C4'-P energy: -34.024 tors. eta vs tors. theta energy: -52.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -596.233801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.233801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.233801 (E_RNA) where: Base-Base interactions energy: -359.671 where: short stacking energy: -201.660 Base-Backbone interact. energy: 3.755 local terms energy: -240.317878 where: bonds (distance) C4'-P energy: -64.396 bonds (distance) P-C4' energy: -67.570 flat angles C4'-P-C4' energy: -52.175 flat angles P-C4'-P energy: -33.430 tors. eta vs tors. theta energy: -22.746 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: 9, replica: 4 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -362.148183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.148183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.148183 (E_RNA) where: Base-Base interactions energy: -130.748 where: short stacking energy: -89.367 Base-Backbone interact. energy: 0.573 local terms energy: -231.972754 where: bonds (distance) C4'-P energy: -66.556 bonds (distance) P-C4' energy: -79.709 flat angles C4'-P-C4' energy: -61.185 flat angles P-C4'-P energy: -37.349 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: 10, replica: 10 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -365.547986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.547986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.547986 (E_RNA) where: Base-Base interactions energy: -170.335 where: short stacking energy: -104.101 Base-Backbone interact. energy: -0.848 local terms energy: -194.364396 where: bonds (distance) C4'-P energy: -63.511 bonds (distance) P-C4' energy: -54.928 flat angles C4'-P-C4' energy: -46.231 flat angles P-C4'-P energy: -28.427 tors. eta vs tors. theta energy: -1.267 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: 1 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -1350.783165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.783165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.783165 (E_RNA) where: Base-Base interactions energy: -920.374 where: short stacking energy: -389.981 Base-Backbone interact. energy: -0.418 local terms energy: -429.991778 where: bonds (distance) C4'-P energy: -73.490 bonds (distance) P-C4' energy: -87.817 flat angles C4'-P-C4' energy: -93.283 flat angles P-C4'-P energy: -61.260 tors. eta vs tors. theta energy: -114.142 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: 8 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -1272.903579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.903579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.903579 (E_RNA) where: Base-Base interactions energy: -863.131 where: short stacking energy: -354.266 Base-Backbone interact. energy: -2.409 local terms energy: -407.363837 where: bonds (distance) C4'-P energy: -80.779 bonds (distance) P-C4' energy: -85.347 flat angles C4'-P-C4' energy: -77.588 flat angles P-C4'-P energy: -60.035 tors. eta vs tors. theta energy: -103.614 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: 3, replica: 9 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -1254.176948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.176948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.176948 (E_RNA) where: Base-Base interactions energy: -849.493 where: short stacking energy: -376.542 Base-Backbone interact. energy: -1.212 local terms energy: -403.471939 where: bonds (distance) C4'-P energy: -70.308 bonds (distance) P-C4' energy: -69.429 flat angles C4'-P-C4' energy: -90.692 flat angles P-C4'-P energy: -57.930 tors. eta vs tors. theta energy: -115.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -1191.792592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.792592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.792592 (E_RNA) where: Base-Base interactions energy: -806.323 where: short stacking energy: -351.490 Base-Backbone interact. energy: -1.140 local terms energy: -384.329006 where: bonds (distance) C4'-P energy: -74.925 bonds (distance) P-C4' energy: -76.742 flat angles C4'-P-C4' energy: -84.574 flat angles P-C4'-P energy: -42.288 tors. eta vs tors. theta energy: -105.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -1120.536402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.536402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.536402 (E_RNA) where: Base-Base interactions energy: -773.050 where: short stacking energy: -311.316 Base-Backbone interact. energy: -1.865 local terms energy: -345.621309 where: bonds (distance) C4'-P energy: -59.310 bonds (distance) P-C4' energy: -73.066 flat angles C4'-P-C4' energy: -80.672 flat angles P-C4'-P energy: -49.338 tors. eta vs tors. theta energy: -83.235 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: 6 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -860.375439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.375439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.375439 (E_RNA) where: Base-Base interactions energy: -542.398 where: short stacking energy: -251.817 Base-Backbone interact. energy: -1.469 local terms energy: -316.508090 where: bonds (distance) C4'-P energy: -62.931 bonds (distance) P-C4' energy: -70.604 flat angles C4'-P-C4' energy: -87.543 flat angles P-C4'-P energy: -40.617 tors. eta vs tors. theta energy: -54.812 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: 7 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -830.023826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.023826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.023826 (E_RNA) where: Base-Base interactions energy: -505.740 where: short stacking energy: -231.140 Base-Backbone interact. energy: 0.187 local terms energy: -324.470844 where: bonds (distance) C4'-P energy: -73.004 bonds (distance) P-C4' energy: -77.318 flat angles C4'-P-C4' energy: -69.516 flat angles P-C4'-P energy: -37.120 tors. eta vs tors. theta energy: -67.511 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: 2 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -634.062497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.062497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.062497 (E_RNA) where: Base-Base interactions energy: -358.933 where: short stacking energy: -183.947 Base-Backbone interact. energy: -1.694 local terms energy: -273.435415 where: bonds (distance) C4'-P energy: -76.974 bonds (distance) P-C4' energy: -78.433 flat angles C4'-P-C4' energy: -75.277 flat angles P-C4'-P energy: -16.973 tors. eta vs tors. theta energy: -25.779 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: 9, replica: 4 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -384.243278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.243278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.243278 (E_RNA) where: Base-Base interactions energy: -124.788 where: short stacking energy: -99.459 Base-Backbone interact. energy: -0.205 local terms energy: -259.249924 where: bonds (distance) C4'-P energy: -77.329 bonds (distance) P-C4' energy: -75.310 flat angles C4'-P-C4' energy: -73.524 flat angles P-C4'-P energy: -34.623 tors. eta vs tors. theta energy: 1.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -352.740649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.740649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.740649 (E_RNA) where: Base-Base interactions energy: -132.505 where: short stacking energy: -83.053 Base-Backbone interact. energy: -1.166 local terms energy: -219.069424 where: bonds (distance) C4'-P energy: -59.666 bonds (distance) P-C4' energy: -71.459 flat angles C4'-P-C4' energy: -70.167 flat angles P-C4'-P energy: -33.998 tors. eta vs tors. theta energy: 16.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -1325.762207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.762207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.762207 (E_RNA) where: Base-Base interactions energy: -900.249 where: short stacking energy: -387.857 Base-Backbone interact. energy: -1.636 local terms energy: -423.876431 where: bonds (distance) C4'-P energy: -88.615 bonds (distance) P-C4' energy: -72.671 flat angles C4'-P-C4' energy: -88.369 flat angles P-C4'-P energy: -66.223 tors. eta vs tors. theta energy: -107.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -1310.223973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.223973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.223973 (E_RNA) where: Base-Base interactions energy: -889.904 where: short stacking energy: -371.777 Base-Backbone interact. energy: -4.297 local terms energy: -416.023075 where: bonds (distance) C4'-P energy: -77.663 bonds (distance) P-C4' energy: -80.197 flat angles C4'-P-C4' energy: -91.444 flat angles P-C4'-P energy: -52.183 tors. eta vs tors. theta energy: -114.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -1265.373352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.373352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.373352 (E_RNA) where: Base-Base interactions energy: -856.753 where: short stacking energy: -381.290 Base-Backbone interact. energy: -0.452 local terms energy: -408.168498 where: bonds (distance) C4'-P energy: -81.907 bonds (distance) P-C4' energy: -81.685 flat angles C4'-P-C4' energy: -80.877 flat angles P-C4'-P energy: -53.411 tors. eta vs tors. theta energy: -110.288 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: 5 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -1198.728250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.728250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.728250 (E_RNA) where: Base-Base interactions energy: -821.610 where: short stacking energy: -373.642 Base-Backbone interact. energy: -0.678 local terms energy: -376.439769 where: bonds (distance) C4'-P energy: -67.372 bonds (distance) P-C4' energy: -71.014 flat angles C4'-P-C4' energy: -75.975 flat angles P-C4'-P energy: -49.091 tors. eta vs tors. theta energy: -112.988 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: 3 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -1117.041891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.041891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.041891 (E_RNA) where: Base-Base interactions energy: -766.444 where: short stacking energy: -318.681 Base-Backbone interact. energy: -2.014 local terms energy: -348.584368 where: bonds (distance) C4'-P energy: -73.435 bonds (distance) P-C4' energy: -62.785 flat angles C4'-P-C4' energy: -80.165 flat angles P-C4'-P energy: -44.210 tors. eta vs tors. theta energy: -87.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -849.699252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.699252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.699252 (E_RNA) where: Base-Base interactions energy: -554.869 where: short stacking energy: -238.026 Base-Backbone interact. energy: -0.230 local terms energy: -294.600319 where: bonds (distance) C4'-P energy: -52.670 bonds (distance) P-C4' energy: -69.422 flat angles C4'-P-C4' energy: -78.401 flat angles P-C4'-P energy: -44.079 tors. eta vs tors. theta energy: -50.029 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: 7 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -810.021519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.021519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.021519 (E_RNA) where: Base-Base interactions energy: -514.923 where: short stacking energy: -231.448 Base-Backbone interact. energy: -0.242 local terms energy: -294.856426 where: bonds (distance) C4'-P energy: -76.567 bonds (distance) P-C4' energy: -59.599 flat angles C4'-P-C4' energy: -63.436 flat angles P-C4'-P energy: -47.779 tors. eta vs tors. theta energy: -47.475 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: 2 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -658.333579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.333579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.333579 (E_RNA) where: Base-Base interactions energy: -363.406 where: short stacking energy: -196.305 Base-Backbone interact. energy: 0.278 local terms energy: -295.205144 where: bonds (distance) C4'-P energy: -82.707 bonds (distance) P-C4' energy: -74.639 flat angles C4'-P-C4' energy: -72.025 flat angles P-C4'-P energy: -46.007 tors. eta vs tors. theta energy: -19.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -411.023176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.023176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.023176 (E_RNA) where: Base-Base interactions energy: -172.376 where: short stacking energy: -123.746 Base-Backbone interact. energy: 0.917 local terms energy: -239.564423 where: bonds (distance) C4'-P energy: -72.006 bonds (distance) P-C4' energy: -71.284 flat angles C4'-P-C4' energy: -58.841 flat angles P-C4'-P energy: -39.114 tors. eta vs tors. theta energy: 1.681 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: 4 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -390.854223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.854223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.854223 (E_RNA) where: Base-Base interactions energy: -156.930 where: short stacking energy: -99.244 Base-Backbone interact. energy: -0.975 local terms energy: -232.949182 where: bonds (distance) C4'-P energy: -58.731 bonds (distance) P-C4' energy: -76.394 flat angles C4'-P-C4' energy: -61.417 flat angles P-C4'-P energy: -43.872 tors. eta vs tors. theta energy: 7.464 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: 8 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -1322.381710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.381710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.381710 (E_RNA) where: Base-Base interactions energy: -895.658 where: short stacking energy: -390.860 Base-Backbone interact. energy: -0.655 local terms energy: -426.068540 where: bonds (distance) C4'-P energy: -79.997 bonds (distance) P-C4' energy: -92.178 flat angles C4'-P-C4' energy: -89.884 flat angles P-C4'-P energy: -63.706 tors. eta vs tors. theta energy: -100.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -1308.772522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.772522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.772522 (E_RNA) where: Base-Base interactions energy: -881.423 where: short stacking energy: -386.489 Base-Backbone interact. energy: -1.121 local terms energy: -426.227724 where: bonds (distance) C4'-P energy: -83.529 bonds (distance) P-C4' energy: -85.959 flat angles C4'-P-C4' energy: -92.961 flat angles P-C4'-P energy: -54.225 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: 3, replica: 9 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -1263.429695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.429695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.429695 (E_RNA) where: Base-Base interactions energy: -855.996 where: short stacking energy: -362.660 Base-Backbone interact. energy: -1.469 local terms energy: -405.964280 where: bonds (distance) C4'-P energy: -85.898 bonds (distance) P-C4' energy: -75.403 flat angles C4'-P-C4' energy: -88.413 flat angles P-C4'-P energy: -54.815 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: 5 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -1182.309438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.309438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.309438 (E_RNA) where: Base-Base interactions energy: -787.493 where: short stacking energy: -374.905 Base-Backbone interact. energy: -1.466 local terms energy: -393.349625 where: bonds (distance) C4'-P energy: -69.503 bonds (distance) P-C4' energy: -76.944 flat angles C4'-P-C4' energy: -79.643 flat angles P-C4'-P energy: -51.138 tors. eta vs tors. theta energy: -116.121 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: 3 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -1109.142481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.142481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.142481 (E_RNA) where: Base-Base interactions energy: -756.527 where: short stacking energy: -322.370 Base-Backbone interact. energy: -3.494 local terms energy: -349.121563 where: bonds (distance) C4'-P energy: -72.698 bonds (distance) P-C4' energy: -75.516 flat angles C4'-P-C4' energy: -74.917 flat angles P-C4'-P energy: -45.983 tors. eta vs tors. theta energy: -80.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -870.380072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.380072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.380072 (E_RNA) where: Base-Base interactions energy: -524.808 where: short stacking energy: -257.688 Base-Backbone interact. energy: -2.655 local terms energy: -342.917125 where: bonds (distance) C4'-P energy: -74.157 bonds (distance) P-C4' energy: -78.263 flat angles C4'-P-C4' energy: -76.632 flat angles P-C4'-P energy: -51.339 tors. eta vs tors. theta energy: -62.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -808.370255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.370255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.370255 (E_RNA) where: Base-Base interactions energy: -508.686 where: short stacking energy: -229.557 Base-Backbone interact. energy: -1.324 local terms energy: -298.359823 where: bonds (distance) C4'-P energy: -58.525 bonds (distance) P-C4' energy: -69.381 flat angles C4'-P-C4' energy: -69.965 flat angles P-C4'-P energy: -46.109 tors. eta vs tors. theta energy: -54.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -664.498649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.498649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.498649 (E_RNA) where: Base-Base interactions energy: -377.063 where: short stacking energy: -194.879 Base-Backbone interact. energy: -1.996 local terms energy: -285.439115 where: bonds (distance) C4'-P energy: -75.784 bonds (distance) P-C4' energy: -63.611 flat angles C4'-P-C4' energy: -56.366 flat angles P-C4'-P energy: -47.143 tors. eta vs tors. theta energy: -42.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -349.925309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.925309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.925309 (E_RNA) where: Base-Base interactions energy: -121.252 where: short stacking energy: -102.243 Base-Backbone interact. energy: 2.324 local terms energy: -230.998063 where: bonds (distance) C4'-P energy: -86.347 bonds (distance) P-C4' energy: -70.243 flat angles C4'-P-C4' energy: -55.532 flat angles P-C4'-P energy: -35.941 tors. eta vs tors. theta energy: 17.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -406.017046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.017046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.017046 (E_RNA) where: Base-Base interactions energy: -176.335 where: short stacking energy: -122.486 Base-Backbone interact. energy: 0.594 local terms energy: -230.276667 where: bonds (distance) C4'-P energy: -59.988 bonds (distance) P-C4' energy: -77.721 flat angles C4'-P-C4' energy: -59.286 flat angles P-C4'-P energy: -32.164 tors. eta vs tors. theta energy: -1.118 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: 1 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -1324.548180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.548180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.548180 (E_RNA) where: Base-Base interactions energy: -900.326 where: short stacking energy: -384.203 Base-Backbone interact. energy: -3.005 local terms energy: -421.217350 where: bonds (distance) C4'-P energy: -89.428 bonds (distance) P-C4' energy: -77.058 flat angles C4'-P-C4' energy: -83.388 flat angles P-C4'-P energy: -53.606 tors. eta vs tors. theta energy: -117.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -1298.314385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.314385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.314385 (E_RNA) where: Base-Base interactions energy: -887.373 where: short stacking energy: -380.387 Base-Backbone interact. energy: -1.611 local terms energy: -409.330401 where: bonds (distance) C4'-P energy: -69.867 bonds (distance) P-C4' energy: -86.363 flat angles C4'-P-C4' energy: -87.647 flat angles P-C4'-P energy: -59.906 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: 3, replica: 5 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -1223.691820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.691820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.691820 (E_RNA) where: Base-Base interactions energy: -804.773 where: short stacking energy: -378.294 Base-Backbone interact. energy: -1.594 local terms energy: -417.324836 where: bonds (distance) C4'-P energy: -64.862 bonds (distance) P-C4' energy: -78.797 flat angles C4'-P-C4' energy: -87.726 flat angles P-C4'-P energy: -67.107 tors. eta vs tors. theta energy: -118.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -1207.424944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.424944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.424944 (E_RNA) where: Base-Base interactions energy: -813.901 where: short stacking energy: -337.725 Base-Backbone interact. energy: -2.410 local terms energy: -391.114037 where: bonds (distance) C4'-P energy: -81.448 bonds (distance) P-C4' energy: -74.655 flat angles C4'-P-C4' energy: -81.194 flat angles P-C4'-P energy: -54.312 tors. eta vs tors. theta energy: -99.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -1124.825405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.825405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.825405 (E_RNA) where: Base-Base interactions energy: -759.893 where: short stacking energy: -320.267 Base-Backbone interact. energy: -3.177 local terms energy: -361.756022 where: bonds (distance) C4'-P energy: -79.368 bonds (distance) P-C4' energy: -67.070 flat angles C4'-P-C4' energy: -82.587 flat angles P-C4'-P energy: -41.118 tors. eta vs tors. theta energy: -91.613 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: 138 Temperature: 1.150000 Total energy: -869.112822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.112822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.112822 (E_RNA) where: Base-Base interactions energy: -543.515 where: short stacking energy: -268.466 Base-Backbone interact. energy: 2.561 local terms energy: -328.158366 where: bonds (distance) C4'-P energy: -70.830 bonds (distance) P-C4' energy: -75.959 flat angles C4'-P-C4' energy: -66.094 flat angles P-C4'-P energy: -49.526 tors. eta vs tors. theta energy: -65.748 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: 7, replica: 6 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -812.584550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.584550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.584550 (E_RNA) where: Base-Base interactions energy: -505.147 where: short stacking energy: -243.819 Base-Backbone interact. energy: -3.173 local terms energy: -304.264280 where: bonds (distance) C4'-P energy: -68.714 bonds (distance) P-C4' energy: -66.088 flat angles C4'-P-C4' energy: -65.587 flat angles P-C4'-P energy: -48.116 tors. eta vs tors. theta energy: -55.759 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: 2 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -656.476258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.476258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.476258 (E_RNA) where: Base-Base interactions energy: -372.357 where: short stacking energy: -184.844 Base-Backbone interact. energy: 0.706 local terms energy: -284.825140 where: bonds (distance) C4'-P energy: -74.762 bonds (distance) P-C4' energy: -71.099 flat angles C4'-P-C4' energy: -71.164 flat angles P-C4'-P energy: -32.283 tors. eta vs tors. theta energy: -35.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -353.752434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.752434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.752434 (E_RNA) where: Base-Base interactions energy: -161.834 where: short stacking energy: -119.189 Base-Backbone interact. energy: 0.703 local terms energy: -192.620896 where: bonds (distance) C4'-P energy: -61.349 bonds (distance) P-C4' energy: -65.144 flat angles C4'-P-C4' energy: -44.803 flat angles P-C4'-P energy: -23.014 tors. eta vs tors. theta energy: 1.688 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: 10 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -346.275443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.275443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.275443 (E_RNA) where: Base-Base interactions energy: -118.762 where: short stacking energy: -93.202 Base-Backbone interact. energy: 0.071 local terms energy: -227.584158 where: bonds (distance) C4'-P energy: -76.106 bonds (distance) P-C4' energy: -68.915 flat angles C4'-P-C4' energy: -62.869 flat angles P-C4'-P energy: -25.421 tors. eta vs tors. theta energy: 5.727 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: 1 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -1333.719669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.719669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.719669 (E_RNA) where: Base-Base interactions energy: -886.339 where: short stacking energy: -382.892 Base-Backbone interact. energy: -1.773 local terms energy: -445.608309 where: bonds (distance) C4'-P energy: -88.116 bonds (distance) P-C4' energy: -82.084 flat angles C4'-P-C4' energy: -96.665 flat angles P-C4'-P energy: -61.695 tors. eta vs tors. theta energy: -117.048 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: 8 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -1284.849453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.849453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.849453 (E_RNA) where: Base-Base interactions energy: -881.428 where: short stacking energy: -377.111 Base-Backbone interact. energy: -2.087 local terms energy: -401.334669 where: bonds (distance) C4'-P energy: -82.880 bonds (distance) P-C4' energy: -84.241 flat angles C4'-P-C4' energy: -81.964 flat angles P-C4'-P energy: -51.542 tors. eta vs tors. theta energy: -100.709 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: 5 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -1230.182825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.182825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.182825 (E_RNA) where: Base-Base interactions energy: -793.945 where: short stacking energy: -368.917 Base-Backbone interact. energy: -1.684 local terms energy: -434.553417 where: bonds (distance) C4'-P energy: -83.543 bonds (distance) P-C4' energy: -80.909 flat angles C4'-P-C4' energy: -92.831 flat angles P-C4'-P energy: -52.926 tors. eta vs tors. theta energy: -124.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -1183.882317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.882317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.882317 (E_RNA) where: Base-Base interactions energy: -813.867 where: short stacking energy: -323.400 Base-Backbone interact. energy: 0.396 local terms energy: -370.411323 where: bonds (distance) C4'-P energy: -71.335 bonds (distance) P-C4' energy: -68.254 flat angles C4'-P-C4' energy: -86.655 flat angles P-C4'-P energy: -56.297 tors. eta vs tors. theta energy: -87.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -1148.726893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.726893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.726893 (E_RNA) where: Base-Base interactions energy: -780.304 where: short stacking energy: -334.661 Base-Backbone interact. energy: -1.272 local terms energy: -367.150007 where: bonds (distance) C4'-P energy: -70.251 bonds (distance) P-C4' energy: -72.622 flat angles C4'-P-C4' energy: -83.717 flat angles P-C4'-P energy: -49.718 tors. eta vs tors. theta energy: -90.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -872.131634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.131634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.131634 (E_RNA) where: Base-Base interactions energy: -543.251 where: short stacking energy: -259.041 Base-Backbone interact. energy: -2.167 local terms energy: -326.713943 where: bonds (distance) C4'-P energy: -62.186 bonds (distance) P-C4' energy: -78.353 flat angles C4'-P-C4' energy: -79.403 flat angles P-C4'-P energy: -55.356 tors. eta vs tors. theta energy: -51.416 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: 139 Temperature: 1.200000 Total energy: -783.591483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.591483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.591483 (E_RNA) where: Base-Base interactions energy: -474.842 where: short stacking energy: -228.016 Base-Backbone interact. energy: -0.018 local terms energy: -308.732044 where: bonds (distance) C4'-P energy: -58.126 bonds (distance) P-C4' energy: -71.815 flat angles C4'-P-C4' energy: -77.158 flat angles P-C4'-P energy: -42.874 tors. eta vs tors. theta energy: -58.759 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: 2 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -593.977306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.977306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.977306 (E_RNA) where: Base-Base interactions energy: -340.201 where: short stacking energy: -163.467 Base-Backbone interact. energy: 1.305 local terms energy: -255.081511 where: bonds (distance) C4'-P energy: -67.199 bonds (distance) P-C4' energy: -53.983 flat angles C4'-P-C4' energy: -72.729 flat angles P-C4'-P energy: -48.280 tors. eta vs tors. theta energy: -12.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -336.703564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.703564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.703564 (E_RNA) where: Base-Base interactions energy: -144.885 where: short stacking energy: -93.809 Base-Backbone interact. energy: 0.502 local terms energy: -192.321223 where: bonds (distance) C4'-P energy: -60.372 bonds (distance) P-C4' energy: -68.110 flat angles C4'-P-C4' energy: -50.136 flat angles P-C4'-P energy: -34.114 tors. eta vs tors. theta energy: 20.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -319.848326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.848326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.848326 (E_RNA) where: Base-Base interactions energy: -104.851 where: short stacking energy: -93.122 Base-Backbone interact. energy: 0.991 local terms energy: -215.988185 where: bonds (distance) C4'-P energy: -72.216 bonds (distance) P-C4' energy: -76.894 flat angles C4'-P-C4' energy: -60.714 flat angles P-C4'-P energy: -21.234 tors. eta vs tors. theta energy: 15.070 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: 1 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -1363.981934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.981934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.981934 (E_RNA) where: Base-Base interactions energy: -920.822 where: short stacking energy: -404.609 Base-Backbone interact. energy: -1.671 local terms energy: -441.489016 where: bonds (distance) C4'-P energy: -74.767 bonds (distance) P-C4' energy: -88.556 flat angles C4'-P-C4' energy: -96.859 flat angles P-C4'-P energy: -63.712 tors. eta vs tors. theta energy: -117.595 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: 8 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -1291.578179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.578179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.578179 (E_RNA) where: Base-Base interactions energy: -888.479 where: short stacking energy: -360.653 Base-Backbone interact. energy: -1.717 local terms energy: -401.381965 where: bonds (distance) C4'-P energy: -75.202 bonds (distance) P-C4' energy: -84.171 flat angles C4'-P-C4' energy: -87.992 flat angles P-C4'-P energy: -61.645 tors. eta vs tors. theta energy: -92.373 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: 5 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -1223.475411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.475411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.475411 (E_RNA) where: Base-Base interactions energy: -803.780 where: short stacking energy: -379.292 Base-Backbone interact. energy: -2.038 local terms energy: -417.657973 where: bonds (distance) C4'-P energy: -75.176 bonds (distance) P-C4' energy: -73.070 flat angles C4'-P-C4' energy: -84.704 flat angles P-C4'-P energy: -69.710 tors. eta vs tors. theta energy: -114.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -1173.049926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.049926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.049926 (E_RNA) where: Base-Base interactions energy: -798.241 where: short stacking energy: -345.049 Base-Backbone interact. energy: 0.313 local terms energy: -375.121552 where: bonds (distance) C4'-P energy: -58.699 bonds (distance) P-C4' energy: -80.013 flat angles C4'-P-C4' energy: -85.230 flat angles P-C4'-P energy: -52.998 tors. eta vs tors. theta energy: -98.180 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: 140 Temperature: 1.100000 Total energy: -1151.826781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.826781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.826781 (E_RNA) where: Base-Base interactions energy: -765.361 where: short stacking energy: -339.405 Base-Backbone interact. energy: -3.473 local terms energy: -382.992920 where: bonds (distance) C4'-P energy: -78.487 bonds (distance) P-C4' energy: -67.354 flat angles C4'-P-C4' energy: -84.520 flat angles P-C4'-P energy: -58.199 tors. eta vs tors. theta energy: -94.433 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: 7 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -846.386843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.386843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.386843 (E_RNA) where: Base-Base interactions energy: -511.572 where: short stacking energy: -253.385 Base-Backbone interact. energy: -2.396 local terms energy: -332.419111 where: bonds (distance) C4'-P energy: -68.685 bonds (distance) P-C4' energy: -76.943 flat angles C4'-P-C4' energy: -83.069 flat angles P-C4'-P energy: -49.950 tors. eta vs tors. theta energy: -53.771 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: 7, replica: 6 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -785.445731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.445731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.445731 (E_RNA) where: Base-Base interactions energy: -469.100 where: short stacking energy: -215.566 Base-Backbone interact. energy: -2.299 local terms energy: -314.047244 where: bonds (distance) C4'-P energy: -61.225 bonds (distance) P-C4' energy: -81.706 flat angles C4'-P-C4' energy: -76.614 flat angles P-C4'-P energy: -48.701 tors. eta vs tors. theta energy: -45.801 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: 2 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -668.740126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.740126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.740126 (E_RNA) where: Base-Base interactions energy: -377.747 where: short stacking energy: -177.845 Base-Backbone interact. energy: 2.391 local terms energy: -293.384560 where: bonds (distance) C4'-P energy: -66.020 bonds (distance) P-C4' energy: -80.929 flat angles C4'-P-C4' energy: -66.349 flat angles P-C4'-P energy: -43.031 tors. eta vs tors. theta energy: -37.055 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: 9, replica: 10 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -339.457722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.457722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.457722 (E_RNA) where: Base-Base interactions energy: -107.836 where: short stacking energy: -101.906 Base-Backbone interact. energy: 1.706 local terms energy: -233.327601 where: bonds (distance) C4'-P energy: -57.224 bonds (distance) P-C4' energy: -74.958 flat angles C4'-P-C4' energy: -68.701 flat angles P-C4'-P energy: -38.096 tors. eta vs tors. theta energy: 5.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -324.505853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.505853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.505853 (E_RNA) where: Base-Base interactions energy: -92.975 where: short stacking energy: -79.479 Base-Backbone interact. energy: -0.494 local terms energy: -231.036906 where: bonds (distance) C4'-P energy: -69.426 bonds (distance) P-C4' energy: -76.160 flat angles C4'-P-C4' energy: -57.129 flat angles P-C4'-P energy: -35.401 tors. eta vs tors. theta energy: 7.079 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: 1, replica: 1 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -1342.292200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.292200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.292200 (E_RNA) where: Base-Base interactions energy: -912.550 where: short stacking energy: -401.406 Base-Backbone interact. energy: -2.656 local terms energy: -427.086941 where: bonds (distance) C4'-P energy: -82.901 bonds (distance) P-C4' energy: -76.263 flat angles C4'-P-C4' energy: -82.604 flat angles P-C4'-P energy: -62.340 tors. eta vs tors. theta energy: -122.979 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: 8 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -1275.087710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.087710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.087710 (E_RNA) where: Base-Base interactions energy: -872.967 where: short stacking energy: -361.983 Base-Backbone interact. energy: 0.169 local terms energy: -402.289273 where: bonds (distance) C4'-P energy: -71.452 bonds (distance) P-C4' energy: -75.193 flat angles C4'-P-C4' energy: -96.955 flat angles P-C4'-P energy: -57.605 tors. eta vs tors. theta energy: -101.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -1244.829324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.829324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.829324 (E_RNA) where: Base-Base interactions energy: -825.520 where: short stacking energy: -376.326 Base-Backbone interact. energy: -2.630 local terms energy: -416.680033 where: bonds (distance) C4'-P energy: -73.445 bonds (distance) P-C4' energy: -87.286 flat angles C4'-P-C4' energy: -96.794 flat angles P-C4'-P energy: -51.066 tors. eta vs tors. theta energy: -108.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -1173.303719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.303719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.303719 (E_RNA) where: Base-Base interactions energy: -788.413 where: short stacking energy: -322.151 Base-Backbone interact. energy: 0.689 local terms energy: -385.579770 where: bonds (distance) C4'-P energy: -76.830 bonds (distance) P-C4' energy: -73.204 flat angles C4'-P-C4' energy: -79.273 flat angles P-C4'-P energy: -58.803 tors. eta vs tors. theta energy: -97.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -1169.553093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.553093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.553093 (E_RNA) where: Base-Base interactions energy: -801.215 where: short stacking energy: -336.365 Base-Backbone interact. energy: -1.034 local terms energy: -367.305023 where: bonds (distance) C4'-P energy: -68.953 bonds (distance) P-C4' energy: -61.717 flat angles C4'-P-C4' energy: -78.977 flat angles P-C4'-P energy: -58.568 tors. eta vs tors. theta energy: -99.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -867.054891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.054891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.054891 (E_RNA) where: Base-Base interactions energy: -540.611 where: short stacking energy: -247.230 Base-Backbone interact. energy: -1.500 local terms energy: -324.943993 where: bonds (distance) C4'-P energy: -73.715 bonds (distance) P-C4' energy: -76.983 flat angles C4'-P-C4' energy: -66.584 flat angles P-C4'-P energy: -46.114 tors. eta vs tors. theta energy: -61.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -827.967438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.967438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.967438 (E_RNA) where: Base-Base interactions energy: -503.715 where: short stacking energy: -254.142 Base-Backbone interact. energy: -1.286 local terms energy: -322.967149 where: bonds (distance) C4'-P energy: -72.923 bonds (distance) P-C4' energy: -65.821 flat angles C4'-P-C4' energy: -69.004 flat angles P-C4'-P energy: -49.373 tors. eta vs tors. theta energy: -65.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -646.541138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.541138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.541138 (E_RNA) where: Base-Base interactions energy: -357.185 where: short stacking energy: -189.392 Base-Backbone interact. energy: -1.076 local terms energy: -288.280138 where: bonds (distance) C4'-P energy: -79.603 bonds (distance) P-C4' energy: -60.623 flat angles C4'-P-C4' energy: -63.989 flat angles P-C4'-P energy: -40.139 tors. eta vs tors. theta energy: -43.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -355.012648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.012648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.012648 (E_RNA) where: Base-Base interactions energy: -138.029 where: short stacking energy: -104.795 Base-Backbone interact. energy: 2.563 local terms energy: -219.547538 where: bonds (distance) C4'-P energy: -62.005 bonds (distance) P-C4' energy: -69.569 flat angles C4'-P-C4' energy: -66.818 flat angles P-C4'-P energy: -15.924 tors. eta vs tors. theta energy: -5.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -357.338873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.338873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.338873 (E_RNA) where: Base-Base interactions energy: -126.926 where: short stacking energy: -112.262 Base-Backbone interact. energy: 0.958 local terms energy: -231.370717 where: bonds (distance) C4'-P energy: -64.377 bonds (distance) P-C4' energy: -61.149 flat angles C4'-P-C4' energy: -63.202 flat angles P-C4'-P energy: -40.716 tors. eta vs tors. theta energy: -1.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -1332.247824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.247824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.247824 (E_RNA) where: Base-Base interactions energy: -900.268 where: short stacking energy: -387.389 Base-Backbone interact. energy: -2.282 local terms energy: -429.698314 where: bonds (distance) C4'-P energy: -80.884 bonds (distance) P-C4' energy: -87.346 flat angles C4'-P-C4' energy: -85.702 flat angles P-C4'-P energy: -52.880 tors. eta vs tors. theta energy: -122.888 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: 8 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -1311.666891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.666891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.666891 (E_RNA) where: Base-Base interactions energy: -892.846 where: short stacking energy: -378.336 Base-Backbone interact. energy: -0.003 local terms energy: -418.817331 where: bonds (distance) C4'-P energy: -81.812 bonds (distance) P-C4' energy: -74.916 flat angles C4'-P-C4' energy: -89.197 flat angles P-C4'-P energy: -64.793 tors. eta vs tors. theta energy: -108.099 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: 3 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -1205.773118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.773118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.773118 (E_RNA) where: Base-Base interactions energy: -817.416 where: short stacking energy: -341.775 Base-Backbone interact. energy: 0.951 local terms energy: -389.307903 where: bonds (distance) C4'-P energy: -71.114 bonds (distance) P-C4' energy: -86.579 flat angles C4'-P-C4' energy: -83.846 flat angles P-C4'-P energy: -58.344 tors. eta vs tors. theta energy: -89.425 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: 5 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -1173.954756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.954756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.954756 (E_RNA) where: Base-Base interactions energy: -798.066 where: short stacking energy: -357.679 Base-Backbone interact. energy: -0.354 local terms energy: -375.535140 where: bonds (distance) C4'-P energy: -70.627 bonds (distance) P-C4' energy: -74.178 flat angles C4'-P-C4' energy: -87.573 flat angles P-C4'-P energy: -45.170 tors. eta vs tors. theta energy: -97.988 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: 9 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -1160.258757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.258757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.258757 (E_RNA) where: Base-Base interactions energy: -768.821 where: short stacking energy: -332.557 Base-Backbone interact. energy: -0.694 local terms energy: -390.743881 where: bonds (distance) C4'-P energy: -82.770 bonds (distance) P-C4' energy: -69.384 flat angles C4'-P-C4' energy: -79.119 flat angles P-C4'-P energy: -58.374 tors. eta vs tors. theta energy: -101.096 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: 6 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -877.940531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.940531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.940531 (E_RNA) where: Base-Base interactions energy: -557.560 where: short stacking energy: -245.506 Base-Backbone interact. energy: -2.453 local terms energy: -317.927320 where: bonds (distance) C4'-P energy: -61.451 bonds (distance) P-C4' energy: -78.276 flat angles C4'-P-C4' energy: -76.634 flat angles P-C4'-P energy: -35.124 tors. eta vs tors. theta energy: -66.443 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: 7 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -813.519589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.519589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.519589 (E_RNA) where: Base-Base interactions energy: -505.788 where: short stacking energy: -236.577 Base-Backbone interact. energy: -1.534 local terms energy: -306.196683 where: bonds (distance) C4'-P energy: -54.847 bonds (distance) P-C4' energy: -75.923 flat angles C4'-P-C4' energy: -74.147 flat angles P-C4'-P energy: -53.553 tors. eta vs tors. theta energy: -47.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -656.665197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.665197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.665197 (E_RNA) where: Base-Base interactions energy: -383.093 where: short stacking energy: -185.543 Base-Backbone interact. energy: 1.348 local terms energy: -274.920617 where: bonds (distance) C4'-P energy: -71.536 bonds (distance) P-C4' energy: -69.176 flat angles C4'-P-C4' energy: -62.513 flat angles P-C4'-P energy: -45.785 tors. eta vs tors. theta energy: -25.910 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: 9, replica: 4 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -433.054519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.054519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.054519 (E_RNA) where: Base-Base interactions energy: -187.851 where: short stacking energy: -119.427 Base-Backbone interact. energy: 0.930 local terms energy: -246.133899 where: bonds (distance) C4'-P energy: -62.735 bonds (distance) P-C4' energy: -65.644 flat angles C4'-P-C4' energy: -72.377 flat angles P-C4'-P energy: -44.148 tors. eta vs tors. theta energy: -1.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -315.435305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.435305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.435305 (E_RNA) where: Base-Base interactions energy: -102.680 where: short stacking energy: -77.746 Base-Backbone interact. energy: 2.098 local terms energy: -214.853444 where: bonds (distance) C4'-P energy: -61.644 bonds (distance) P-C4' energy: -70.869 flat angles C4'-P-C4' energy: -53.878 flat angles P-C4'-P energy: -35.472 tors. eta vs tors. theta energy: 7.011 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: 1 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -1333.248614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.248614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.248614 (E_RNA) where: Base-Base interactions energy: -903.343 where: short stacking energy: -388.904 Base-Backbone interact. energy: -2.896 local terms energy: -427.009725 where: bonds (distance) C4'-P energy: -81.747 bonds (distance) P-C4' energy: -79.459 flat angles C4'-P-C4' energy: -83.267 flat angles P-C4'-P energy: -68.509 tors. eta vs tors. theta energy: -114.027 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: 8 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -1294.413563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.413563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.413563 (E_RNA) where: Base-Base interactions energy: -895.694 where: short stacking energy: -377.900 Base-Backbone interact. energy: -2.104 local terms energy: -396.616019 where: bonds (distance) C4'-P energy: -82.003 bonds (distance) P-C4' energy: -79.838 flat angles C4'-P-C4' energy: -81.026 flat angles P-C4'-P energy: -50.578 tors. eta vs tors. theta energy: -103.171 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: 3 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -1222.934542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.934542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.934542 (E_RNA) where: Base-Base interactions energy: -831.562 where: short stacking energy: -352.541 Base-Backbone interact. energy: -0.512 local terms energy: -390.860681 where: bonds (distance) C4'-P energy: -73.952 bonds (distance) P-C4' energy: -83.131 flat angles C4'-P-C4' energy: -88.326 flat angles P-C4'-P energy: -56.044 tors. eta vs tors. theta energy: -89.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -1225.186570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.186570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.186570 (E_RNA) where: Base-Base interactions energy: -791.845 where: short stacking energy: -379.907 Base-Backbone interact. energy: -1.624 local terms energy: -431.717353 where: bonds (distance) C4'-P energy: -80.005 bonds (distance) P-C4' energy: -81.415 flat angles C4'-P-C4' energy: -95.769 flat angles P-C4'-P energy: -62.332 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: 5, replica: 9 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -1105.780383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.780383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.780383 (E_RNA) where: Base-Base interactions energy: -724.380 where: short stacking energy: -312.474 Base-Backbone interact. energy: -1.001 local terms energy: -380.399691 where: bonds (distance) C4'-P energy: -69.361 bonds (distance) P-C4' energy: -86.153 flat angles C4'-P-C4' energy: -79.169 flat angles P-C4'-P energy: -57.664 tors. eta vs tors. theta energy: -88.053 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: 6 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -890.741074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.741074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.741074 (E_RNA) where: Base-Base interactions energy: -572.691 where: short stacking energy: -262.872 Base-Backbone interact. energy: -1.170 local terms energy: -316.879802 where: bonds (distance) C4'-P energy: -71.222 bonds (distance) P-C4' energy: -69.944 flat angles C4'-P-C4' energy: -80.149 flat angles P-C4'-P energy: -47.536 tors. eta vs tors. theta energy: -48.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -807.862248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.862248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.862248 (E_RNA) where: Base-Base interactions energy: -504.262 where: short stacking energy: -238.721 Base-Backbone interact. energy: 2.564 local terms energy: -306.164200 where: bonds (distance) C4'-P energy: -80.478 bonds (distance) P-C4' energy: -65.850 flat angles C4'-P-C4' energy: -71.949 flat angles P-C4'-P energy: -36.009 tors. eta vs tors. theta energy: -51.878 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: 2 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -617.278148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.278148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.278148 (E_RNA) where: Base-Base interactions energy: -353.661 where: short stacking energy: -182.443 Base-Backbone interact. energy: 1.351 local terms energy: -264.968509 where: bonds (distance) C4'-P energy: -63.458 bonds (distance) P-C4' energy: -62.904 flat angles C4'-P-C4' energy: -61.363 flat angles P-C4'-P energy: -53.334 tors. eta vs tors. theta energy: -23.910 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: 9, replica: 4 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -410.310373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.310373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.310373 (E_RNA) where: Base-Base interactions energy: -192.033 where: short stacking energy: -126.651 Base-Backbone interact. energy: 0.619 local terms energy: -218.896930 where: bonds (distance) C4'-P energy: -54.705 bonds (distance) P-C4' energy: -69.380 flat angles C4'-P-C4' energy: -55.210 flat angles P-C4'-P energy: -31.811 tors. eta vs tors. theta energy: -7.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -325.839836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.839836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.839836 (E_RNA) where: Base-Base interactions energy: -114.809 where: short stacking energy: -90.078 Base-Backbone interact. energy: 0.569 local terms energy: -211.600394 where: bonds (distance) C4'-P energy: -57.817 bonds (distance) P-C4' energy: -79.475 flat angles C4'-P-C4' energy: -63.178 flat angles P-C4'-P energy: -22.513 tors. eta vs tors. theta energy: 11.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -1320.499189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.499189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.499189 (E_RNA) where: Base-Base interactions energy: -890.107 where: short stacking energy: -396.553 Base-Backbone interact. energy: -2.310 local terms energy: -428.082063 where: bonds (distance) C4'-P energy: -86.650 bonds (distance) P-C4' energy: -66.808 flat angles C4'-P-C4' energy: -92.819 flat angles P-C4'-P energy: -66.063 tors. eta vs tors. theta energy: -115.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -1312.217090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.217090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.217090 (E_RNA) where: Base-Base interactions energy: -916.115 where: short stacking energy: -382.768 Base-Backbone interact. energy: 1.537 local terms energy: -397.639156 where: bonds (distance) C4'-P energy: -75.708 bonds (distance) P-C4' energy: -76.787 flat angles C4'-P-C4' energy: -82.406 flat angles P-C4'-P energy: -62.686 tors. eta vs tors. theta energy: -100.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -1235.248992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.248992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.248992 (E_RNA) where: Base-Base interactions energy: -837.613 where: short stacking energy: -350.254 Base-Backbone interact. energy: -2.644 local terms energy: -394.992094 where: bonds (distance) C4'-P energy: -81.001 bonds (distance) P-C4' energy: -66.013 flat angles C4'-P-C4' energy: -87.880 flat angles P-C4'-P energy: -60.842 tors. eta vs tors. theta energy: -99.255 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: 5 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -1177.483298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.483298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.483298 (E_RNA) where: Base-Base interactions energy: -781.198 where: short stacking energy: -350.751 Base-Backbone interact. energy: 2.501 local terms energy: -398.786038 where: bonds (distance) C4'-P energy: -78.530 bonds (distance) P-C4' energy: -89.782 flat angles C4'-P-C4' energy: -80.950 flat angles P-C4'-P energy: -45.851 tors. eta vs tors. theta energy: -103.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -1120.650201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.650201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.650201 (E_RNA) where: Base-Base interactions energy: -752.563 where: short stacking energy: -326.266 Base-Backbone interact. energy: -2.138 local terms energy: -365.949524 where: bonds (distance) C4'-P energy: -73.242 bonds (distance) P-C4' energy: -64.360 flat angles C4'-P-C4' energy: -77.046 flat angles P-C4'-P energy: -54.693 tors. eta vs tors. theta energy: -96.608 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: 6 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -887.785082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.785082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.785082 (E_RNA) where: Base-Base interactions energy: -582.989 where: short stacking energy: -238.403 Base-Backbone interact. energy: -0.338 local terms energy: -304.457795 where: bonds (distance) C4'-P energy: -69.659 bonds (distance) P-C4' energy: -77.266 flat angles C4'-P-C4' energy: -63.930 flat angles P-C4'-P energy: -45.706 tors. eta vs tors. theta energy: -47.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -837.651577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.651577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.651577 (E_RNA) where: Base-Base interactions energy: -531.686 where: short stacking energy: -247.742 Base-Backbone interact. energy: -1.083 local terms energy: -304.882194 where: bonds (distance) C4'-P energy: -82.091 bonds (distance) P-C4' energy: -63.800 flat angles C4'-P-C4' energy: -69.922 flat angles P-C4'-P energy: -37.131 tors. eta vs tors. theta energy: -51.938 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: 2 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -599.962866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.962866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.962866 (E_RNA) where: Base-Base interactions energy: -324.758 where: short stacking energy: -140.713 Base-Backbone interact. energy: -0.223 local terms energy: -274.981276 where: bonds (distance) C4'-P energy: -68.570 bonds (distance) P-C4' energy: -81.697 flat angles C4'-P-C4' energy: -61.373 flat angles P-C4'-P energy: -47.080 tors. eta vs tors. theta energy: -16.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -439.237845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.237845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.237845 (E_RNA) where: Base-Base interactions energy: -199.510 where: short stacking energy: -107.029 Base-Backbone interact. energy: -2.862 local terms energy: -236.866119 where: bonds (distance) C4'-P energy: -76.996 bonds (distance) P-C4' energy: -75.846 flat angles C4'-P-C4' energy: -60.178 flat angles P-C4'-P energy: -32.419 tors. eta vs tors. theta energy: 8.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -337.718086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.718086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.718086 (E_RNA) where: Base-Base interactions energy: -119.810 where: short stacking energy: -102.089 Base-Backbone interact. energy: -0.267 local terms energy: -217.641156 where: bonds (distance) C4'-P energy: -62.503 bonds (distance) P-C4' energy: -65.980 flat angles C4'-P-C4' energy: -55.590 flat angles P-C4'-P energy: -31.614 tors. eta vs tors. theta energy: -1.954 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: 1 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -1332.412709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.412709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.412709 (E_RNA) where: Base-Base interactions energy: -909.524 where: short stacking energy: -388.542 Base-Backbone interact. energy: 0.235 local terms energy: -423.124022 where: bonds (distance) C4'-P energy: -76.333 bonds (distance) P-C4' energy: -77.352 flat angles C4'-P-C4' energy: -91.244 flat angles P-C4'-P energy: -60.897 tors. eta vs tors. theta energy: -117.298 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: 8 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -1292.163933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.163933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.163933 (E_RNA) where: Base-Base interactions energy: -910.958 where: short stacking energy: -361.766 Base-Backbone interact. energy: -4.480 local terms energy: -376.726133 where: bonds (distance) C4'-P energy: -68.293 bonds (distance) P-C4' energy: -76.816 flat angles C4'-P-C4' energy: -84.462 flat angles P-C4'-P energy: -54.954 tors. eta vs tors. theta energy: -92.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -1264.885617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.885617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.885617 (E_RNA) where: Base-Base interactions energy: -879.072 where: short stacking energy: -348.479 Base-Backbone interact. energy: 5.726 local terms energy: -391.539334 where: bonds (distance) C4'-P energy: -73.126 bonds (distance) P-C4' energy: -75.221 flat angles C4'-P-C4' energy: -88.270 flat angles P-C4'-P energy: -57.645 tors. eta vs tors. theta energy: -97.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -1145.613980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.613980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.613980 (E_RNA) where: Base-Base interactions energy: -774.813 where: short stacking energy: -333.379 Base-Backbone interact. energy: -1.749 local terms energy: -369.052159 where: bonds (distance) C4'-P energy: -72.361 bonds (distance) P-C4' energy: -72.474 flat angles C4'-P-C4' energy: -73.066 flat angles P-C4'-P energy: -62.057 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: 5, replica: 5 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -1122.723733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.723733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.723733 (E_RNA) where: Base-Base interactions energy: -750.156 where: short stacking energy: -343.320 Base-Backbone interact. energy: -0.863 local terms energy: -371.704008 where: bonds (distance) C4'-P energy: -65.607 bonds (distance) P-C4' energy: -65.696 flat angles C4'-P-C4' energy: -84.622 flat angles P-C4'-P energy: -51.269 tors. eta vs tors. theta energy: -104.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -866.246472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.246472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.246472 (E_RNA) where: Base-Base interactions energy: -551.636 where: short stacking energy: -237.970 Base-Backbone interact. energy: -2.351 local terms energy: -312.259537 where: bonds (distance) C4'-P energy: -70.649 bonds (distance) P-C4' energy: -72.413 flat angles C4'-P-C4' energy: -71.251 flat angles P-C4'-P energy: -50.794 tors. eta vs tors. theta energy: -47.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -822.503804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.503804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.503804 (E_RNA) where: Base-Base interactions energy: -521.584 where: short stacking energy: -230.181 Base-Backbone interact. energy: -1.458 local terms energy: -299.462284 where: bonds (distance) C4'-P energy: -65.154 bonds (distance) P-C4' energy: -77.798 flat angles C4'-P-C4' energy: -77.045 flat angles P-C4'-P energy: -34.684 tors. eta vs tors. theta energy: -44.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -625.470641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.470641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.470641 (E_RNA) where: Base-Base interactions energy: -359.854 where: short stacking energy: -176.955 Base-Backbone interact. energy: 0.317 local terms energy: -265.933529 where: bonds (distance) C4'-P energy: -68.517 bonds (distance) P-C4' energy: -68.503 flat angles C4'-P-C4' energy: -64.872 flat angles P-C4'-P energy: -28.859 tors. eta vs tors. theta energy: -35.182 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: 9, replica: 4 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -402.600102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.600102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.600102 (E_RNA) where: Base-Base interactions energy: -174.538 where: short stacking energy: -102.606 Base-Backbone interact. energy: -1.406 local terms energy: -226.656520 where: bonds (distance) C4'-P energy: -49.908 bonds (distance) P-C4' energy: -73.043 flat angles C4'-P-C4' energy: -63.026 flat angles P-C4'-P energy: -43.491 tors. eta vs tors. theta energy: 2.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -329.749947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.749947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.749947 (E_RNA) where: Base-Base interactions energy: -125.229 where: short stacking energy: -104.852 Base-Backbone interact. energy: 1.988 local terms energy: -206.508246 where: bonds (distance) C4'-P energy: -68.846 bonds (distance) P-C4' energy: -81.352 flat angles C4'-P-C4' energy: -40.504 flat angles P-C4'-P energy: -27.337 tors. eta vs tors. theta energy: 11.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -1336.672673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.672673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.672673 (E_RNA) where: Base-Base interactions energy: -910.978 where: short stacking energy: -402.916 Base-Backbone interact. energy: -0.912 local terms energy: -424.782466 where: bonds (distance) C4'-P energy: -71.640 bonds (distance) P-C4' energy: -89.424 flat angles C4'-P-C4' energy: -87.207 flat angles P-C4'-P energy: -56.890 tors. eta vs tors. theta energy: -119.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -1300.599633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.599633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.599633 (E_RNA) where: Base-Base interactions energy: -899.993 where: short stacking energy: -351.967 Base-Backbone interact. energy: -0.892 local terms energy: -399.714820 where: bonds (distance) C4'-P energy: -80.728 bonds (distance) P-C4' energy: -81.521 flat angles C4'-P-C4' energy: -80.805 flat angles P-C4'-P energy: -62.226 tors. eta vs tors. theta energy: -94.435 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: 3 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -1260.346126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.346126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.346126 (E_RNA) where: Base-Base interactions energy: -873.514 where: short stacking energy: -351.651 Base-Backbone interact. energy: -2.199 local terms energy: -384.632191 where: bonds (distance) C4'-P energy: -79.079 bonds (distance) P-C4' energy: -87.617 flat angles C4'-P-C4' energy: -72.350 flat angles P-C4'-P energy: -46.348 tors. eta vs tors. theta energy: -99.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -1147.862655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.862655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.862655 (E_RNA) where: Base-Base interactions energy: -767.776 where: short stacking energy: -337.436 Base-Backbone interact. energy: -0.741 local terms energy: -379.345750 where: bonds (distance) C4'-P energy: -73.511 bonds (distance) P-C4' energy: -69.325 flat angles C4'-P-C4' energy: -87.569 flat angles P-C4'-P energy: -50.553 tors. eta vs tors. theta energy: -98.388 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: 5 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -1143.775088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.775088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.775088 (E_RNA) where: Base-Base interactions energy: -734.589 where: short stacking energy: -336.211 Base-Backbone interact. energy: -1.309 local terms energy: -407.876396 where: bonds (distance) C4'-P energy: -71.261 bonds (distance) P-C4' energy: -81.679 flat angles C4'-P-C4' energy: -87.559 flat angles P-C4'-P energy: -57.401 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: 6, replica: 6 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -908.736273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.736273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.736273 (E_RNA) where: Base-Base interactions energy: -588.343 where: short stacking energy: -261.387 Base-Backbone interact. energy: -0.545 local terms energy: -319.848203 where: bonds (distance) C4'-P energy: -78.537 bonds (distance) P-C4' energy: -74.335 flat angles C4'-P-C4' energy: -79.215 flat angles P-C4'-P energy: -33.986 tors. eta vs tors. theta energy: -53.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -812.878034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.878034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.878034 (E_RNA) where: Base-Base interactions energy: -516.248 where: short stacking energy: -252.272 Base-Backbone interact. energy: 1.118 local terms energy: -297.747883 where: bonds (distance) C4'-P energy: -79.654 bonds (distance) P-C4' energy: -75.258 flat angles C4'-P-C4' energy: -62.959 flat angles P-C4'-P energy: -35.395 tors. eta vs tors. theta energy: -44.483 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: 2 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -643.905400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.905400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.905400 (E_RNA) where: Base-Base interactions energy: -378.322 where: short stacking energy: -178.706 Base-Backbone interact. energy: 10.199 local terms energy: -275.782874 where: bonds (distance) C4'-P energy: -68.498 bonds (distance) P-C4' energy: -66.373 flat angles C4'-P-C4' energy: -67.355 flat angles P-C4'-P energy: -43.046 tors. eta vs tors. theta energy: -30.511 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: 9, replica: 10 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -339.672228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.672228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.672228 (E_RNA) where: Base-Base interactions energy: -108.788 where: short stacking energy: -99.799 Base-Backbone interact. energy: -0.396 local terms energy: -230.488276 where: bonds (distance) C4'-P energy: -65.205 bonds (distance) P-C4' energy: -71.535 flat angles C4'-P-C4' energy: -68.270 flat angles P-C4'-P energy: -33.435 tors. eta vs tors. theta energy: 7.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -380.090250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.090250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.090250 (E_RNA) where: Base-Base interactions energy: -165.937 where: short stacking energy: -120.053 Base-Backbone interact. energy: -0.161 local terms energy: -213.992368 where: bonds (distance) C4'-P energy: -52.153 bonds (distance) P-C4' energy: -64.501 flat angles C4'-P-C4' energy: -53.811 flat angles P-C4'-P energy: -37.749 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: 1, replica: 1 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -1338.476019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.476019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.476019 (E_RNA) where: Base-Base interactions energy: -897.754 where: short stacking energy: -383.109 Base-Backbone interact. energy: -1.979 local terms energy: -438.742326 where: bonds (distance) C4'-P energy: -80.802 bonds (distance) P-C4' energy: -88.907 flat angles C4'-P-C4' energy: -91.404 flat angles P-C4'-P energy: -61.605 tors. eta vs tors. theta energy: -116.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -1290.934696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.934696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.934696 (E_RNA) where: Base-Base interactions energy: -895.100 where: short stacking energy: -350.228 Base-Backbone interact. energy: -1.175 local terms energy: -394.659259 where: bonds (distance) C4'-P energy: -80.657 bonds (distance) P-C4' energy: -82.058 flat angles C4'-P-C4' energy: -79.874 flat angles P-C4'-P energy: -56.279 tors. eta vs tors. theta energy: -95.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -1285.136003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.136003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.136003 (E_RNA) where: Base-Base interactions energy: -882.232 where: short stacking energy: -347.729 Base-Backbone interact. energy: -2.941 local terms energy: -399.963499 where: bonds (distance) C4'-P energy: -78.504 bonds (distance) P-C4' energy: -66.292 flat angles C4'-P-C4' energy: -88.958 flat angles P-C4'-P energy: -61.998 tors. eta vs tors. theta energy: -104.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -1128.660094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.660094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.660094 (E_RNA) where: Base-Base interactions energy: -744.147 where: short stacking energy: -327.645 Base-Backbone interact. energy: -0.865 local terms energy: -383.648396 where: bonds (distance) C4'-P energy: -73.207 bonds (distance) P-C4' energy: -74.364 flat angles C4'-P-C4' energy: -78.786 flat angles P-C4'-P energy: -53.874 tors. eta vs tors. theta energy: -103.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -1113.324493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.324493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.324493 (E_RNA) where: Base-Base interactions energy: -746.708 where: short stacking energy: -320.476 Base-Backbone interact. energy: -2.352 local terms energy: -364.264425 where: bonds (distance) C4'-P energy: -77.645 bonds (distance) P-C4' energy: -82.342 flat angles C4'-P-C4' energy: -83.446 flat angles P-C4'-P energy: -40.572 tors. eta vs tors. theta energy: -80.259 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: 6 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -918.946166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.946166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.946166 (E_RNA) where: Base-Base interactions energy: -595.473 where: short stacking energy: -259.687 Base-Backbone interact. energy: -2.994 local terms energy: -320.479554 where: bonds (distance) C4'-P energy: -69.479 bonds (distance) P-C4' energy: -61.501 flat angles C4'-P-C4' energy: -80.406 flat angles P-C4'-P energy: -49.134 tors. eta vs tors. theta energy: -59.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -796.922955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.922955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.922955 (E_RNA) where: Base-Base interactions energy: -509.555 where: short stacking energy: -219.606 Base-Backbone interact. energy: -1.879 local terms energy: -285.488706 where: bonds (distance) C4'-P energy: -68.548 bonds (distance) P-C4' energy: -66.385 flat angles C4'-P-C4' energy: -65.580 flat angles P-C4'-P energy: -31.217 tors. eta vs tors. theta energy: -53.758 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: 2 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -715.948688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.948688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.948688 (E_RNA) where: Base-Base interactions energy: -426.925 where: short stacking energy: -198.633 Base-Backbone interact. energy: -1.877 local terms energy: -287.146225 where: bonds (distance) C4'-P energy: -64.377 bonds (distance) P-C4' energy: -70.345 flat angles C4'-P-C4' energy: -64.590 flat angles P-C4'-P energy: -44.515 tors. eta vs tors. theta energy: -43.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -341.327905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.327905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.327905 (E_RNA) where: Base-Base interactions energy: -125.445 where: short stacking energy: -104.278 Base-Backbone interact. energy: -0.338 local terms energy: -215.545508 where: bonds (distance) C4'-P energy: -70.097 bonds (distance) P-C4' energy: -70.042 flat angles C4'-P-C4' energy: -62.307 flat angles P-C4'-P energy: -25.462 tors. eta vs tors. theta energy: 12.362 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: 4 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -424.758661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.758661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.758661 (E_RNA) where: Base-Base interactions energy: -192.891 where: short stacking energy: -121.420 Base-Backbone interact. energy: -0.257 local terms energy: -231.610381 where: bonds (distance) C4'-P energy: -57.921 bonds (distance) P-C4' energy: -80.120 flat angles C4'-P-C4' energy: -54.576 flat angles P-C4'-P energy: -34.210 tors. eta vs tors. theta energy: -4.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -1313.992460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.992460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.992460 (E_RNA) where: Base-Base interactions energy: -918.594 where: short stacking energy: -371.004 Base-Backbone interact. energy: -3.239 local terms energy: -392.158965 where: bonds (distance) C4'-P energy: -79.118 bonds (distance) P-C4' energy: -75.057 flat angles C4'-P-C4' energy: -81.287 flat angles P-C4'-P energy: -59.803 tors. eta vs tors. theta energy: -96.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -1308.500716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.500716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.500716 (E_RNA) where: Base-Base interactions energy: -883.859 where: short stacking energy: -391.668 Base-Backbone interact. energy: -0.907 local terms energy: -423.734515 where: bonds (distance) C4'-P energy: -80.100 bonds (distance) P-C4' energy: -75.968 flat angles C4'-P-C4' energy: -88.918 flat angles P-C4'-P energy: -63.955 tors. eta vs tors. theta energy: -114.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -1263.285396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.285396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.285396 (E_RNA) where: Base-Base interactions energy: -865.447 where: short stacking energy: -339.313 Base-Backbone interact. energy: -2.493 local terms energy: -395.346201 where: bonds (distance) C4'-P energy: -73.841 bonds (distance) P-C4' energy: -86.631 flat angles C4'-P-C4' energy: -83.025 flat angles P-C4'-P energy: -62.163 tors. eta vs tors. theta energy: -89.686 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: 5 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -1152.459037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.459037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.459037 (E_RNA) where: Base-Base interactions energy: -758.097 where: short stacking energy: -343.595 Base-Backbone interact. energy: -2.045 local terms energy: -392.317581 where: bonds (distance) C4'-P energy: -76.959 bonds (distance) P-C4' energy: -81.043 flat angles C4'-P-C4' energy: -78.330 flat angles P-C4'-P energy: -59.853 tors. eta vs tors. theta energy: -96.132 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: 9 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -1108.863505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.863505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.863505 (E_RNA) where: Base-Base interactions energy: -745.967 where: short stacking energy: -348.673 Base-Backbone interact. energy: -1.772 local terms energy: -361.124629 where: bonds (distance) C4'-P energy: -83.185 bonds (distance) P-C4' energy: -62.273 flat angles C4'-P-C4' energy: -83.001 flat angles P-C4'-P energy: -49.738 tors. eta vs tors. theta energy: -82.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -902.308917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.308917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.308917 (E_RNA) where: Base-Base interactions energy: -566.605 where: short stacking energy: -274.229 Base-Backbone interact. energy: -1.547 local terms energy: -334.156065 where: bonds (distance) C4'-P energy: -62.039 bonds (distance) P-C4' energy: -76.194 flat angles C4'-P-C4' energy: -78.239 flat angles P-C4'-P energy: -52.969 tors. eta vs tors. theta energy: -64.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -844.602388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.602388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.602388 (E_RNA) where: Base-Base interactions energy: -533.704 where: short stacking energy: -222.269 Base-Backbone interact. energy: 6.689 local terms energy: -317.586635 where: bonds (distance) C4'-P energy: -84.859 bonds (distance) P-C4' energy: -68.246 flat angles C4'-P-C4' energy: -65.499 flat angles P-C4'-P energy: -55.839 tors. eta vs tors. theta energy: -43.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -697.828976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.828976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.828976 (E_RNA) where: Base-Base interactions energy: -423.297 where: short stacking energy: -197.164 Base-Backbone interact. energy: -1.209 local terms energy: -273.322668 where: bonds (distance) C4'-P energy: -56.629 bonds (distance) P-C4' energy: -68.693 flat angles C4'-P-C4' energy: -56.359 flat angles P-C4'-P energy: -55.531 tors. eta vs tors. theta energy: -36.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -378.218323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.218323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.218323 (E_RNA) where: Base-Base interactions energy: -123.982 where: short stacking energy: -90.451 Base-Backbone interact. energy: 2.959 local terms energy: -257.195583 where: bonds (distance) C4'-P energy: -55.399 bonds (distance) P-C4' energy: -82.157 flat angles C4'-P-C4' energy: -75.146 flat angles P-C4'-P energy: -48.254 tors. eta vs tors. theta energy: 3.760 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: 10, replica: 10 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -330.275709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.275709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.275709 (E_RNA) where: Base-Base interactions energy: -114.783 where: short stacking energy: -89.601 Base-Backbone interact. energy: -1.107 local terms energy: -214.385472 where: bonds (distance) C4'-P energy: -53.787 bonds (distance) P-C4' energy: -74.557 flat angles C4'-P-C4' energy: -63.306 flat angles P-C4'-P energy: -28.922 tors. eta vs tors. theta energy: 6.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -1334.912588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.912588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.912588 (E_RNA) where: Base-Base interactions energy: -926.246 where: short stacking energy: -389.246 Base-Backbone interact. energy: 0.010 local terms energy: -408.676752 where: bonds (distance) C4'-P energy: -79.623 bonds (distance) P-C4' energy: -78.352 flat angles C4'-P-C4' energy: -88.637 flat angles P-C4'-P energy: -60.411 tors. eta vs tors. theta energy: -101.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -1306.333300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.333300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.333300 (E_RNA) where: Base-Base interactions energy: -875.308 where: short stacking energy: -389.545 Base-Backbone interact. energy: 2.090 local terms energy: -433.114939 where: bonds (distance) C4'-P energy: -80.646 bonds (distance) P-C4' energy: -87.255 flat angles C4'-P-C4' energy: -82.710 flat angles P-C4'-P energy: -66.229 tors. eta vs tors. theta energy: -116.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -1275.766560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.766560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.766560 (E_RNA) where: Base-Base interactions energy: -866.092 where: short stacking energy: -361.787 Base-Backbone interact. energy: -1.774 local terms energy: -407.899937 where: bonds (distance) C4'-P energy: -70.635 bonds (distance) P-C4' energy: -76.175 flat angles C4'-P-C4' energy: -94.581 flat angles P-C4'-P energy: -62.153 tors. eta vs tors. theta energy: -104.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -1169.657012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.657012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.657012 (E_RNA) where: Base-Base interactions energy: -780.081 where: short stacking energy: -349.542 Base-Backbone interact. energy: -2.324 local terms energy: -387.251592 where: bonds (distance) C4'-P energy: -86.537 bonds (distance) P-C4' energy: -76.661 flat angles C4'-P-C4' energy: -79.429 flat angles P-C4'-P energy: -52.786 tors. eta vs tors. theta energy: -91.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -1134.641996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.641996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.641996 (E_RNA) where: Base-Base interactions energy: -759.631 where: short stacking energy: -319.713 Base-Backbone interact. energy: -1.579 local terms energy: -373.432231 where: bonds (distance) C4'-P energy: -74.044 bonds (distance) P-C4' energy: -71.688 flat angles C4'-P-C4' energy: -85.449 flat angles P-C4'-P energy: -43.824 tors. eta vs tors. theta energy: -98.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -872.698885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.698885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.698885 (E_RNA) where: Base-Base interactions energy: -561.131 where: short stacking energy: -250.295 Base-Backbone interact. energy: -2.306 local terms energy: -309.262174 where: bonds (distance) C4'-P energy: -62.804 bonds (distance) P-C4' energy: -77.936 flat angles C4'-P-C4' energy: -81.226 flat angles P-C4'-P energy: -43.255 tors. eta vs tors. theta energy: -44.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -802.652258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.652258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.652258 (E_RNA) where: Base-Base interactions energy: -480.913 where: short stacking energy: -233.536 Base-Backbone interact. energy: 2.603 local terms energy: -324.342662 where: bonds (distance) C4'-P energy: -68.376 bonds (distance) P-C4' energy: -66.871 flat angles C4'-P-C4' energy: -82.394 flat angles P-C4'-P energy: -52.971 tors. eta vs tors. theta energy: -53.731 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: 2 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -677.964930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.964930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.964930 (E_RNA) where: Base-Base interactions energy: -397.753 where: short stacking energy: -186.164 Base-Backbone interact. energy: 1.069 local terms energy: -281.281085 where: bonds (distance) C4'-P energy: -67.797 bonds (distance) P-C4' energy: -66.565 flat angles C4'-P-C4' energy: -79.574 flat angles P-C4'-P energy: -49.414 tors. eta vs tors. theta energy: -17.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -370.287721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.287721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.287721 (E_RNA) where: Base-Base interactions energy: -133.987 where: short stacking energy: -115.506 Base-Backbone interact. energy: 1.128 local terms energy: -237.428367 where: bonds (distance) C4'-P energy: -66.287 bonds (distance) P-C4' energy: -77.828 flat angles C4'-P-C4' energy: -55.942 flat angles P-C4'-P energy: -39.633 tors. eta vs tors. theta energy: 2.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -362.717724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.717724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.717724 (E_RNA) where: Base-Base interactions energy: -134.449 where: short stacking energy: -82.252 Base-Backbone interact. energy: 0.126 local terms energy: -228.395033 where: bonds (distance) C4'-P energy: -66.371 bonds (distance) P-C4' energy: -59.676 flat angles C4'-P-C4' energy: -66.055 flat angles P-C4'-P energy: -29.864 tors. eta vs tors. theta energy: -6.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -1346.128101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.128101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.128101 (E_RNA) where: Base-Base interactions energy: -922.696 where: short stacking energy: -406.270 Base-Backbone interact. energy: -0.193 local terms energy: -423.239107 where: bonds (distance) C4'-P energy: -69.721 bonds (distance) P-C4' energy: -79.679 flat angles C4'-P-C4' energy: -91.170 flat angles P-C4'-P energy: -64.791 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: 2, replica: 8 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -1319.576570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.576570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.576570 (E_RNA) where: Base-Base interactions energy: -905.975 where: short stacking energy: -382.708 Base-Backbone interact. energy: -0.339 local terms energy: -413.262184 where: bonds (distance) C4'-P energy: -73.675 bonds (distance) P-C4' energy: -82.690 flat angles C4'-P-C4' energy: -86.140 flat angles P-C4'-P energy: -68.339 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: 3, replica: 3 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -1276.845384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.845384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.845384 (E_RNA) where: Base-Base interactions energy: -889.319 where: short stacking energy: -361.245 Base-Backbone interact. energy: 0.376 local terms energy: -387.902364 where: bonds (distance) C4'-P energy: -74.506 bonds (distance) P-C4' energy: -76.318 flat angles C4'-P-C4' energy: -86.226 flat angles P-C4'-P energy: -61.152 tors. eta vs tors. theta energy: -89.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -1173.175098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.175098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.175098 (E_RNA) where: Base-Base interactions energy: -802.215 where: short stacking energy: -348.246 Base-Backbone interact. energy: 0.503 local terms energy: -371.463665 where: bonds (distance) C4'-P energy: -55.667 bonds (distance) P-C4' energy: -72.878 flat angles C4'-P-C4' energy: -89.998 flat angles P-C4'-P energy: -57.894 tors. eta vs tors. theta energy: -95.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -1110.037499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.037499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.037499 (E_RNA) where: Base-Base interactions energy: -757.994 where: short stacking energy: -314.575 Base-Backbone interact. energy: -0.055 local terms energy: -351.988829 where: bonds (distance) C4'-P energy: -63.637 bonds (distance) P-C4' energy: -79.141 flat angles C4'-P-C4' energy: -83.689 flat angles P-C4'-P energy: -46.131 tors. eta vs tors. theta energy: -79.390 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: 6 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -895.951187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.951187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.951187 (E_RNA) where: Base-Base interactions energy: -568.593 where: short stacking energy: -274.491 Base-Backbone interact. energy: -2.803 local terms energy: -324.554719 where: bonds (distance) C4'-P energy: -78.184 bonds (distance) P-C4' energy: -64.276 flat angles C4'-P-C4' energy: -81.520 flat angles P-C4'-P energy: -47.684 tors. eta vs tors. theta energy: -52.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -772.300663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.300663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.300663 (E_RNA) where: Base-Base interactions energy: -465.139 where: short stacking energy: -216.847 Base-Backbone interact. energy: -2.995 local terms energy: -304.166368 where: bonds (distance) C4'-P energy: -65.954 bonds (distance) P-C4' energy: -59.872 flat angles C4'-P-C4' energy: -76.503 flat angles P-C4'-P energy: -45.493 tors. eta vs tors. theta energy: -56.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -667.665934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.665934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.665934 (E_RNA) where: Base-Base interactions energy: -375.669 where: short stacking energy: -189.022 Base-Backbone interact. energy: 3.325 local terms energy: -295.321783 where: bonds (distance) C4'-P energy: -66.714 bonds (distance) P-C4' energy: -74.553 flat angles C4'-P-C4' energy: -62.677 flat angles P-C4'-P energy: -58.816 tors. eta vs tors. theta energy: -32.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -423.664812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.664812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.664812 (E_RNA) where: Base-Base interactions energy: -181.396 where: short stacking energy: -121.650 Base-Backbone interact. energy: -0.588 local terms energy: -241.680087 where: bonds (distance) C4'-P energy: -75.767 bonds (distance) P-C4' energy: -71.285 flat angles C4'-P-C4' energy: -58.046 flat angles P-C4'-P energy: -37.180 tors. eta vs tors. theta energy: 0.597 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: 4 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -328.355825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.355825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.355825 (E_RNA) where: Base-Base interactions energy: -138.038 where: short stacking energy: -103.241 Base-Backbone interact. energy: 3.873 local terms energy: -194.190301 where: bonds (distance) C4'-P energy: -53.055 bonds (distance) P-C4' energy: -52.165 flat angles C4'-P-C4' energy: -52.467 flat angles P-C4'-P energy: -41.200 tors. eta vs tors. theta energy: 4.697 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: 1 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -1357.199847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.199847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.199847 (E_RNA) where: Base-Base interactions energy: -926.173 where: short stacking energy: -394.459 Base-Backbone interact. energy: -1.537 local terms energy: -429.489465 where: bonds (distance) C4'-P energy: -74.132 bonds (distance) P-C4' energy: -86.735 flat angles C4'-P-C4' energy: -93.165 flat angles P-C4'-P energy: -51.228 tors. eta vs tors. theta energy: -124.229 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: 8 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -1344.722181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.722181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.722181 (E_RNA) where: Base-Base interactions energy: -908.265 where: short stacking energy: -386.709 Base-Backbone interact. energy: -1.969 local terms energy: -434.487488 where: bonds (distance) C4'-P energy: -82.847 bonds (distance) P-C4' energy: -82.654 flat angles C4'-P-C4' energy: -91.679 flat angles P-C4'-P energy: -66.696 tors. eta vs tors. theta energy: -110.612 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: 3, replica: 3 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -1271.477275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.477275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.477275 (E_RNA) where: Base-Base interactions energy: -880.052 where: short stacking energy: -346.211 Base-Backbone interact. energy: -5.416 local terms energy: -386.009679 where: bonds (distance) C4'-P energy: -72.027 bonds (distance) P-C4' energy: -79.640 flat angles C4'-P-C4' energy: -85.052 flat angles P-C4'-P energy: -49.190 tors. eta vs tors. theta energy: -100.101 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: 9 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -1147.504526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.504526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.504526 (E_RNA) where: Base-Base interactions energy: -757.083 where: short stacking energy: -328.383 Base-Backbone interact. energy: -2.090 local terms energy: -388.330911 where: bonds (distance) C4'-P energy: -75.713 bonds (distance) P-C4' energy: -75.292 flat angles C4'-P-C4' energy: -84.399 flat angles P-C4'-P energy: -63.647 tors. eta vs tors. theta energy: -89.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -1135.406216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.406216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.406216 (E_RNA) where: Base-Base interactions energy: -735.106 where: short stacking energy: -334.659 Base-Backbone interact. energy: -0.383 local terms energy: -399.918042 where: bonds (distance) C4'-P energy: -83.485 bonds (distance) P-C4' energy: -67.564 flat angles C4'-P-C4' energy: -86.331 flat angles P-C4'-P energy: -61.024 tors. eta vs tors. theta energy: -101.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -870.217865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.217865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.217865 (E_RNA) where: Base-Base interactions energy: -544.881 where: short stacking energy: -257.235 Base-Backbone interact. energy: -3.957 local terms energy: -321.379520 where: bonds (distance) C4'-P energy: -69.952 bonds (distance) P-C4' energy: -74.178 flat angles C4'-P-C4' energy: -74.764 flat angles P-C4'-P energy: -48.668 tors. eta vs tors. theta energy: -53.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -771.536982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.536982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.536982 (E_RNA) where: Base-Base interactions energy: -481.801 where: short stacking energy: -234.205 Base-Backbone interact. energy: 0.893 local terms energy: -290.628570 where: bonds (distance) C4'-P energy: -57.986 bonds (distance) P-C4' energy: -70.302 flat angles C4'-P-C4' energy: -72.389 flat angles P-C4'-P energy: -50.575 tors. eta vs tors. theta energy: -39.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -666.268684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.268684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.268684 (E_RNA) where: Base-Base interactions energy: -401.879 where: short stacking energy: -215.254 Base-Backbone interact. energy: 2.079 local terms energy: -266.468536 where: bonds (distance) C4'-P energy: -70.509 bonds (distance) P-C4' energy: -63.143 flat angles C4'-P-C4' energy: -62.063 flat angles P-C4'-P energy: -31.393 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: 10 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -389.425070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.425070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.425070 (E_RNA) where: Base-Base interactions energy: -146.048 where: short stacking energy: -100.054 Base-Backbone interact. energy: -2.427 local terms energy: -240.949813 where: bonds (distance) C4'-P energy: -69.375 bonds (distance) P-C4' energy: -84.460 flat angles C4'-P-C4' energy: -56.054 flat angles P-C4'-P energy: -34.297 tors. eta vs tors. theta energy: 3.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -324.248169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.248169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.248169 (E_RNA) where: Base-Base interactions energy: -96.003 where: short stacking energy: -82.467 Base-Backbone interact. energy: 2.497 local terms energy: -230.742372 where: bonds (distance) C4'-P energy: -64.347 bonds (distance) P-C4' energy: -72.475 flat angles C4'-P-C4' energy: -68.291 flat angles P-C4'-P energy: -35.959 tors. eta vs tors. theta energy: 10.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -1330.877855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.877855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.877855 (E_RNA) where: Base-Base interactions energy: -889.140 where: short stacking energy: -399.357 Base-Backbone interact. energy: -1.750 local terms energy: -439.987284 where: bonds (distance) C4'-P energy: -83.684 bonds (distance) P-C4' energy: -87.118 flat angles C4'-P-C4' energy: -85.948 flat angles P-C4'-P energy: -57.752 tors. eta vs tors. theta energy: -125.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -1314.056833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.056833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.056833 (E_RNA) where: Base-Base interactions energy: -911.368 where: short stacking energy: -387.660 Base-Backbone interact. energy: -1.369 local terms energy: -401.319772 where: bonds (distance) C4'-P energy: -70.847 bonds (distance) P-C4' energy: -83.544 flat angles C4'-P-C4' energy: -79.900 flat angles P-C4'-P energy: -57.275 tors. eta vs tors. theta energy: -109.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -1282.612587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.612587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.612587 (E_RNA) where: Base-Base interactions energy: -881.023 where: short stacking energy: -345.694 Base-Backbone interact. energy: -3.070 local terms energy: -398.519973 where: bonds (distance) C4'-P energy: -76.959 bonds (distance) P-C4' energy: -71.760 flat angles C4'-P-C4' energy: -86.335 flat angles P-C4'-P energy: -63.900 tors. eta vs tors. theta energy: -99.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -1186.792446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.792446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.792446 (E_RNA) where: Base-Base interactions energy: -797.743 where: short stacking energy: -336.502 Base-Backbone interact. energy: -1.235 local terms energy: -387.815055 where: bonds (distance) C4'-P energy: -61.047 bonds (distance) P-C4' energy: -87.967 flat angles C4'-P-C4' energy: -88.236 flat angles P-C4'-P energy: -58.856 tors. eta vs tors. theta energy: -91.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -1147.406786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.406786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.406786 (E_RNA) where: Base-Base interactions energy: -764.713 where: short stacking energy: -349.303 Base-Backbone interact. energy: 0.103 local terms energy: -382.796703 where: bonds (distance) C4'-P energy: -84.993 bonds (distance) P-C4' energy: -71.598 flat angles C4'-P-C4' energy: -79.566 flat angles P-C4'-P energy: -47.318 tors. eta vs tors. theta energy: -99.322 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: 6, replica: 6 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -863.823706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.823706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.823706 (E_RNA) where: Base-Base interactions energy: -557.915 where: short stacking energy: -240.376 Base-Backbone interact. energy: 5.130 local terms energy: -311.038058 where: bonds (distance) C4'-P energy: -72.794 bonds (distance) P-C4' energy: -73.695 flat angles C4'-P-C4' energy: -72.451 flat angles P-C4'-P energy: -45.192 tors. eta vs tors. theta energy: -46.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -775.996366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.996366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.996366 (E_RNA) where: Base-Base interactions energy: -472.189 where: short stacking energy: -225.332 Base-Backbone interact. energy: -3.390 local terms energy: -300.417112 where: bonds (distance) C4'-P energy: -62.890 bonds (distance) P-C4' energy: -72.754 flat angles C4'-P-C4' energy: -75.651 flat angles P-C4'-P energy: -42.169 tors. eta vs tors. theta energy: -46.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -678.188218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.188218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.188218 (E_RNA) where: Base-Base interactions energy: -394.255 where: short stacking energy: -176.632 Base-Backbone interact. energy: -1.014 local terms energy: -282.919546 where: bonds (distance) C4'-P energy: -76.063 bonds (distance) P-C4' energy: -80.788 flat angles C4'-P-C4' energy: -70.270 flat angles P-C4'-P energy: -38.396 tors. eta vs tors. theta energy: -17.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -387.534836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.534836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.534836 (E_RNA) where: Base-Base interactions energy: -158.161 where: short stacking energy: -119.178 Base-Backbone interact. energy: -0.202 local terms energy: -229.171670 where: bonds (distance) C4'-P energy: -62.337 bonds (distance) P-C4' energy: -68.575 flat angles C4'-P-C4' energy: -72.625 flat angles P-C4'-P energy: -32.717 tors. eta vs tors. theta energy: 7.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -359.070184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.070184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.070184 (E_RNA) where: Base-Base interactions energy: -161.399 where: short stacking energy: -96.817 Base-Backbone interact. energy: -2.255 local terms energy: -195.416226 where: bonds (distance) C4'-P energy: -66.703 bonds (distance) P-C4' energy: -57.650 flat angles C4'-P-C4' energy: -43.927 flat angles P-C4'-P energy: -32.906 tors. eta vs tors. theta energy: 5.770 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: 1 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -1340.393240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.393240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.393240 (E_RNA) where: Base-Base interactions energy: -903.277 where: short stacking energy: -398.221 Base-Backbone interact. energy: -1.955 local terms energy: -435.161017 where: bonds (distance) C4'-P energy: -77.917 bonds (distance) P-C4' energy: -87.247 flat angles C4'-P-C4' energy: -96.908 flat angles P-C4'-P energy: -54.865 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: 2, replica: 8 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -1302.008034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.008034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.008034 (E_RNA) where: Base-Base interactions energy: -890.312 where: short stacking energy: -365.930 Base-Backbone interact. energy: -2.309 local terms energy: -409.386764 where: bonds (distance) C4'-P energy: -79.687 bonds (distance) P-C4' energy: -78.927 flat angles C4'-P-C4' energy: -83.573 flat angles P-C4'-P energy: -65.502 tors. eta vs tors. theta energy: -101.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -1292.601901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.601901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.601901 (E_RNA) where: Base-Base interactions energy: -891.841 where: short stacking energy: -379.719 Base-Backbone interact. energy: -2.045 local terms energy: -398.715763 where: bonds (distance) C4'-P energy: -59.970 bonds (distance) P-C4' energy: -78.122 flat angles C4'-P-C4' energy: -88.905 flat angles P-C4'-P energy: -54.962 tors. eta vs tors. theta energy: -116.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -1154.647279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.647279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.647279 (E_RNA) where: Base-Base interactions energy: -763.052 where: short stacking energy: -328.592 Base-Backbone interact. energy: 4.211 local terms energy: -395.805467 where: bonds (distance) C4'-P energy: -72.916 bonds (distance) P-C4' energy: -75.393 flat angles C4'-P-C4' energy: -91.100 flat angles P-C4'-P energy: -62.724 tors. eta vs tors. theta energy: -93.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -1120.154714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.154714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.154714 (E_RNA) where: Base-Base interactions energy: -735.504 where: short stacking energy: -354.941 Base-Backbone interact. energy: -0.512 local terms energy: -384.138496 where: bonds (distance) C4'-P energy: -71.768 bonds (distance) P-C4' energy: -69.920 flat angles C4'-P-C4' energy: -87.944 flat angles P-C4'-P energy: -53.262 tors. eta vs tors. theta energy: -101.244 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: 6, replica: 6 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -864.400163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.400163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.400163 (E_RNA) where: Base-Base interactions energy: -552.514 where: short stacking energy: -233.046 Base-Backbone interact. energy: 4.200 local terms energy: -316.086401 where: bonds (distance) C4'-P energy: -77.118 bonds (distance) P-C4' energy: -72.333 flat angles C4'-P-C4' energy: -73.052 flat angles P-C4'-P energy: -42.310 tors. eta vs tors. theta energy: -51.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -837.037448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.037448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.037448 (E_RNA) where: Base-Base interactions energy: -537.940 where: short stacking energy: -233.255 Base-Backbone interact. energy: -0.975 local terms energy: -298.122344 where: bonds (distance) C4'-P energy: -60.898 bonds (distance) P-C4' energy: -73.392 flat angles C4'-P-C4' energy: -74.931 flat angles P-C4'-P energy: -39.803 tors. eta vs tors. theta energy: -49.097 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: 2 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -628.179926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.179926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.179926 (E_RNA) where: Base-Base interactions energy: -336.121 where: short stacking energy: -167.875 Base-Backbone interact. energy: -1.048 local terms energy: -291.011045 where: bonds (distance) C4'-P energy: -73.726 bonds (distance) P-C4' energy: -62.680 flat angles C4'-P-C4' energy: -78.793 flat angles P-C4'-P energy: -53.698 tors. eta vs tors. theta energy: -22.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -343.310079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.310079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.310079 (E_RNA) where: Base-Base interactions energy: -119.255 where: short stacking energy: -102.895 Base-Backbone interact. energy: -3.151 local terms energy: -220.904465 where: bonds (distance) C4'-P energy: -78.888 bonds (distance) P-C4' energy: -55.120 flat angles C4'-P-C4' energy: -61.955 flat angles P-C4'-P energy: -41.964 tors. eta vs tors. theta energy: 17.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -322.140837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.140837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.140837 (E_RNA) where: Base-Base interactions energy: -126.396 where: short stacking energy: -96.638 Base-Backbone interact. energy: -1.815 local terms energy: -193.929596 where: bonds (distance) C4'-P energy: -66.164 bonds (distance) P-C4' energy: -60.363 flat angles C4'-P-C4' energy: -50.398 flat angles P-C4'-P energy: -19.282 tors. eta vs tors. theta energy: 2.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -1342.838224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.838224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.838224 (E_RNA) where: Base-Base interactions energy: -906.652 where: short stacking energy: -408.171 Base-Backbone interact. energy: 0.649 local terms energy: -436.835138 where: bonds (distance) C4'-P energy: -89.529 bonds (distance) P-C4' energy: -76.646 flat angles C4'-P-C4' energy: -88.485 flat angles P-C4'-P energy: -60.217 tors. eta vs tors. theta energy: -121.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -1286.570677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.570677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.570677 (E_RNA) where: Base-Base interactions energy: -891.513 where: short stacking energy: -361.157 Base-Backbone interact. energy: -1.383 local terms energy: -393.675474 where: bonds (distance) C4'-P energy: -67.497 bonds (distance) P-C4' energy: -79.285 flat angles C4'-P-C4' energy: -88.409 flat angles P-C4'-P energy: -63.396 tors. eta vs tors. theta energy: -95.089 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: 154 Temperature: 1.000000 Total energy: -1320.371267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.371267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.371267 (E_RNA) where: Base-Base interactions energy: -922.280 where: short stacking energy: -382.386 Base-Backbone interact. energy: -2.528 local terms energy: -395.562545 where: bonds (distance) C4'-P energy: -65.573 bonds (distance) P-C4' energy: -68.860 flat angles C4'-P-C4' energy: -83.624 flat angles P-C4'-P energy: -58.494 tors. eta vs tors. theta energy: -119.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -1133.273839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.273839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.273839 (E_RNA) where: Base-Base interactions energy: -759.893 where: short stacking energy: -319.175 Base-Backbone interact. energy: 0.404 local terms energy: -373.784297 where: bonds (distance) C4'-P energy: -79.639 bonds (distance) P-C4' energy: -71.340 flat angles C4'-P-C4' energy: -87.683 flat angles P-C4'-P energy: -47.297 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: 5, replica: 5 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -1051.245839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.245839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.245839 (E_RNA) where: Base-Base interactions energy: -681.134 where: short stacking energy: -321.514 Base-Backbone interact. energy: -2.055 local terms energy: -368.057597 where: bonds (distance) C4'-P energy: -77.455 bonds (distance) P-C4' energy: -78.388 flat angles C4'-P-C4' energy: -77.400 flat angles P-C4'-P energy: -49.991 tors. eta vs tors. theta energy: -84.823 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: 6 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -851.105163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.105163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.105163 (E_RNA) where: Base-Base interactions energy: -538.687 where: short stacking energy: -230.989 Base-Backbone interact. energy: -2.181 local terms energy: -310.237412 where: bonds (distance) C4'-P energy: -62.952 bonds (distance) P-C4' energy: -69.380 flat angles C4'-P-C4' energy: -77.520 flat angles P-C4'-P energy: -50.091 tors. eta vs tors. theta energy: -50.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -772.435597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.435597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.435597 (E_RNA) where: Base-Base interactions energy: -468.862 where: short stacking energy: -231.118 Base-Backbone interact. energy: -1.963 local terms energy: -301.610828 where: bonds (distance) C4'-P energy: -65.503 bonds (distance) P-C4' energy: -74.604 flat angles C4'-P-C4' energy: -67.792 flat angles P-C4'-P energy: -43.071 tors. eta vs tors. theta energy: -50.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -646.406172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.406172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.406172 (E_RNA) where: Base-Base interactions energy: -378.232 where: short stacking energy: -207.097 Base-Backbone interact. energy: -1.668 local terms energy: -266.507087 where: bonds (distance) C4'-P energy: -61.515 bonds (distance) P-C4' energy: -67.428 flat angles C4'-P-C4' energy: -64.647 flat angles P-C4'-P energy: -41.766 tors. eta vs tors. theta energy: -31.151 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: 10 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -350.109777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.109777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.109777 (E_RNA) where: Base-Base interactions energy: -117.337 where: short stacking energy: -99.845 Base-Backbone interact. energy: 3.644 local terms energy: -236.416369 where: bonds (distance) C4'-P energy: -74.906 bonds (distance) P-C4' energy: -64.056 flat angles C4'-P-C4' energy: -66.197 flat angles P-C4'-P energy: -39.953 tors. eta vs tors. theta energy: 8.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -349.505715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.505715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.505715 (E_RNA) where: Base-Base interactions energy: -135.747 where: short stacking energy: -89.590 Base-Backbone interact. energy: 1.671 local terms energy: -215.429694 where: bonds (distance) C4'-P energy: -63.853 bonds (distance) P-C4' energy: -72.555 flat angles C4'-P-C4' energy: -56.609 flat angles P-C4'-P energy: -34.871 tors. eta vs tors. theta energy: 12.459 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: 1, replica: 1 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -1355.492466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.492466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.492466 (E_RNA) where: Base-Base interactions energy: -906.398 where: short stacking energy: -399.023 Base-Backbone interact. energy: -0.737 local terms energy: -448.357380 where: bonds (distance) C4'-P energy: -79.551 bonds (distance) P-C4' energy: -84.669 flat angles C4'-P-C4' energy: -99.045 flat angles P-C4'-P energy: -62.726 tors. eta vs tors. theta energy: -122.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -1364.070194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.070194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.070194 (E_RNA) where: Base-Base interactions energy: -945.872 where: short stacking energy: -388.281 Base-Backbone interact. energy: -2.281 local terms energy: -415.916499 where: bonds (distance) C4'-P energy: -77.609 bonds (distance) P-C4' energy: -79.239 flat angles C4'-P-C4' energy: -81.957 flat angles P-C4'-P energy: -62.233 tors. eta vs tors. theta energy: -114.879 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: 8 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -1238.378278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.378278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.378278 (E_RNA) where: Base-Base interactions energy: -834.987 where: short stacking energy: -336.385 Base-Backbone interact. energy: -1.984 local terms energy: -401.407563 where: bonds (distance) C4'-P energy: -81.081 bonds (distance) P-C4' energy: -82.459 flat angles C4'-P-C4' energy: -84.776 flat angles P-C4'-P energy: -56.395 tors. eta vs tors. theta energy: -96.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -1156.414666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.414666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.414666 (E_RNA) where: Base-Base interactions energy: -771.234 where: short stacking energy: -340.335 Base-Backbone interact. energy: -0.532 local terms energy: -384.648910 where: bonds (distance) C4'-P energy: -80.095 bonds (distance) P-C4' energy: -74.385 flat angles C4'-P-C4' energy: -91.906 flat angles P-C4'-P energy: -54.621 tors. eta vs tors. theta energy: -83.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -1042.134298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.134298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.134298 (E_RNA) where: Base-Base interactions energy: -694.018 where: short stacking energy: -307.707 Base-Backbone interact. energy: 0.862 local terms energy: -348.978706 where: bonds (distance) C4'-P energy: -64.296 bonds (distance) P-C4' energy: -67.092 flat angles C4'-P-C4' energy: -78.712 flat angles P-C4'-P energy: -52.474 tors. eta vs tors. theta energy: -86.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -938.121588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.121588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.121588 (E_RNA) where: Base-Base interactions energy: -595.765 where: short stacking energy: -272.369 Base-Backbone interact. energy: 0.034 local terms energy: -342.390538 where: bonds (distance) C4'-P energy: -77.333 bonds (distance) P-C4' energy: -74.096 flat angles C4'-P-C4' energy: -81.627 flat angles P-C4'-P energy: -44.050 tors. eta vs tors. theta energy: -65.284 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: 7 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -752.155226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.155226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.155226 (E_RNA) where: Base-Base interactions energy: -448.280 where: short stacking energy: -212.378 Base-Backbone interact. energy: 0.476 local terms energy: -304.351448 where: bonds (distance) C4'-P energy: -77.720 bonds (distance) P-C4' energy: -74.489 flat angles C4'-P-C4' energy: -69.507 flat angles P-C4'-P energy: -42.438 tors. eta vs tors. theta energy: -40.197 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: 8, replica: 2 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -676.232209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.232209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.232209 (E_RNA) where: Base-Base interactions energy: -375.596 where: short stacking energy: -186.982 Base-Backbone interact. energy: -0.573 local terms energy: -300.062713 where: bonds (distance) C4'-P energy: -75.699 bonds (distance) P-C4' energy: -65.730 flat angles C4'-P-C4' energy: -64.115 flat angles P-C4'-P energy: -55.897 tors. eta vs tors. theta energy: -38.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -369.459866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.459866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.459866 (E_RNA) where: Base-Base interactions energy: -156.712 where: short stacking energy: -121.574 Base-Backbone interact. energy: 0.659 local terms energy: -213.406978 where: bonds (distance) C4'-P energy: -55.841 bonds (distance) P-C4' energy: -72.119 flat angles C4'-P-C4' energy: -62.177 flat angles P-C4'-P energy: -38.417 tors. eta vs tors. theta energy: 15.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -339.586016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.586016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.586016 (E_RNA) where: Base-Base interactions energy: -127.258 where: short stacking energy: -115.660 Base-Backbone interact. energy: 2.560 local terms energy: -214.887392 where: bonds (distance) C4'-P energy: -65.270 bonds (distance) P-C4' energy: -70.725 flat angles C4'-P-C4' energy: -49.013 flat angles P-C4'-P energy: -18.454 tors. eta vs tors. theta energy: -11.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -1365.951836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.951836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.951836 (E_RNA) where: Base-Base interactions energy: -937.601 where: short stacking energy: -382.642 Base-Backbone interact. energy: -1.449 local terms energy: -426.901576 where: bonds (distance) C4'-P energy: -86.569 bonds (distance) P-C4' energy: -84.379 flat angles C4'-P-C4' energy: -97.778 flat angles P-C4'-P energy: -53.237 tors. eta vs tors. theta energy: -104.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -1312.029898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.029898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.029898 (E_RNA) where: Base-Base interactions energy: -906.911 where: short stacking energy: -384.210 Base-Backbone interact. energy: -2.173 local terms energy: -402.946408 where: bonds (distance) C4'-P energy: -72.740 bonds (distance) P-C4' energy: -77.659 flat angles C4'-P-C4' energy: -88.042 flat angles P-C4'-P energy: -46.535 tors. eta vs tors. theta energy: -117.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -1207.404739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.404739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.404739 (E_RNA) where: Base-Base interactions energy: -803.891 where: short stacking energy: -339.617 Base-Backbone interact. energy: -1.537 local terms energy: -401.976821 where: bonds (distance) C4'-P energy: -78.123 bonds (distance) P-C4' energy: -83.986 flat angles C4'-P-C4' energy: -84.395 flat angles P-C4'-P energy: -56.006 tors. eta vs tors. theta energy: -99.466 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: 8 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -1187.704984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.704984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.704984 (E_RNA) where: Base-Base interactions energy: -826.398 where: short stacking energy: -346.789 Base-Backbone interact. energy: 0.294 local terms energy: -361.601135 where: bonds (distance) C4'-P energy: -64.152 bonds (distance) P-C4' energy: -82.171 flat angles C4'-P-C4' energy: -83.588 flat angles P-C4'-P energy: -49.497 tors. eta vs tors. theta energy: -82.193 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: 5 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -1083.806441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.806441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.806441 (E_RNA) where: Base-Base interactions energy: -722.879 where: short stacking energy: -311.720 Base-Backbone interact. energy: -1.809 local terms energy: -359.118552 where: bonds (distance) C4'-P energy: -75.262 bonds (distance) P-C4' energy: -62.072 flat angles C4'-P-C4' energy: -77.359 flat angles P-C4'-P energy: -53.902 tors. eta vs tors. theta energy: -90.524 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: 6 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -863.008733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.008733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.008733 (E_RNA) where: Base-Base interactions energy: -567.429 where: short stacking energy: -238.721 Base-Backbone interact. energy: 1.376 local terms energy: -296.955653 where: bonds (distance) C4'-P energy: -64.648 bonds (distance) P-C4' energy: -67.875 flat angles C4'-P-C4' energy: -67.020 flat angles P-C4'-P energy: -46.980 tors. eta vs tors. theta energy: -50.433 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: 2 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -699.518088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.518088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.518088 (E_RNA) where: Base-Base interactions energy: -413.371 where: short stacking energy: -205.746 Base-Backbone interact. energy: -3.791 local terms energy: -282.355748 where: bonds (distance) C4'-P energy: -76.174 bonds (distance) P-C4' energy: -71.764 flat angles C4'-P-C4' energy: -73.820 flat angles P-C4'-P energy: -35.946 tors. eta vs tors. theta energy: -24.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -700.621027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.621027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.621027 (E_RNA) where: Base-Base interactions energy: -404.316 where: short stacking energy: -185.197 Base-Backbone interact. energy: -1.844 local terms energy: -294.461130 where: bonds (distance) C4'-P energy: -71.135 bonds (distance) P-C4' energy: -72.748 flat angles C4'-P-C4' energy: -74.164 flat angles P-C4'-P energy: -44.071 tors. eta vs tors. theta energy: -32.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -396.425386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.425386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.425386 (E_RNA) where: Base-Base interactions energy: -153.834 where: short stacking energy: -109.243 Base-Backbone interact. energy: -1.212 local terms energy: -241.379276 where: bonds (distance) C4'-P energy: -67.390 bonds (distance) P-C4' energy: -76.824 flat angles C4'-P-C4' energy: -54.696 flat angles P-C4'-P energy: -38.655 tors. eta vs tors. theta energy: -3.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -323.956961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.956961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.956961 (E_RNA) where: Base-Base interactions energy: -95.606 where: short stacking energy: -78.294 Base-Backbone interact. energy: 0.045 local terms energy: -228.396177 where: bonds (distance) C4'-P energy: -50.543 bonds (distance) P-C4' energy: -87.876 flat angles C4'-P-C4' energy: -64.595 flat angles P-C4'-P energy: -37.015 tors. eta vs tors. theta energy: 11.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -1379.794561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.794561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.794561 (E_RNA) where: Base-Base interactions energy: -941.469 where: short stacking energy: -396.480 Base-Backbone interact. energy: -4.213 local terms energy: -434.113468 where: bonds (distance) C4'-P energy: -82.699 bonds (distance) P-C4' energy: -85.543 flat angles C4'-P-C4' energy: -86.599 flat angles P-C4'-P energy: -62.270 tors. eta vs tors. theta energy: -117.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -1283.717075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.717075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.717075 (E_RNA) where: Base-Base interactions energy: -872.879 where: short stacking energy: -365.542 Base-Backbone interact. energy: -3.283 local terms energy: -407.554857 where: bonds (distance) C4'-P energy: -71.200 bonds (distance) P-C4' energy: -79.379 flat angles C4'-P-C4' energy: -91.010 flat angles P-C4'-P energy: -50.915 tors. eta vs tors. theta energy: -115.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -1210.119172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.119172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.119172 (E_RNA) where: Base-Base interactions energy: -797.909 where: short stacking energy: -360.773 Base-Backbone interact. energy: -0.937 local terms energy: -411.273251 where: bonds (distance) C4'-P energy: -67.610 bonds (distance) P-C4' energy: -85.065 flat angles C4'-P-C4' energy: -91.181 flat angles P-C4'-P energy: -59.655 tors. eta vs tors. theta energy: -107.762 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: 8 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -1223.126209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.126209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.126209 (E_RNA) where: Base-Base interactions energy: -828.982 where: short stacking energy: -346.104 Base-Backbone interact. energy: 1.159 local terms energy: -395.303467 where: bonds (distance) C4'-P energy: -82.565 bonds (distance) P-C4' energy: -77.267 flat angles C4'-P-C4' energy: -78.805 flat angles P-C4'-P energy: -59.783 tors. eta vs tors. theta energy: -96.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -1071.004373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.004373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.004373 (E_RNA) where: Base-Base interactions energy: -686.992 where: short stacking energy: -311.496 Base-Backbone interact. energy: 1.701 local terms energy: -385.714122 where: bonds (distance) C4'-P energy: -81.241 bonds (distance) P-C4' energy: -72.394 flat angles C4'-P-C4' energy: -90.014 flat angles P-C4'-P energy: -61.420 tors. eta vs tors. theta energy: -80.644 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: 6, replica: 6 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -864.575152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.575152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.575152 (E_RNA) where: Base-Base interactions energy: -533.378 where: short stacking energy: -234.452 Base-Backbone interact. energy: -0.409 local terms energy: -330.788012 where: bonds (distance) C4'-P energy: -70.949 bonds (distance) P-C4' energy: -81.334 flat angles C4'-P-C4' energy: -75.256 flat angles P-C4'-P energy: -58.015 tors. eta vs tors. theta energy: -45.234 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: 7, replica: 2 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -739.562187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.562187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.562187 (E_RNA) where: Base-Base interactions energy: -470.121 where: short stacking energy: -216.913 Base-Backbone interact. energy: 1.508 local terms energy: -270.949469 where: bonds (distance) C4'-P energy: -70.104 bonds (distance) P-C4' energy: -78.109 flat angles C4'-P-C4' energy: -58.109 flat angles P-C4'-P energy: -33.233 tors. eta vs tors. theta energy: -31.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -706.004116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.004116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.004116 (E_RNA) where: Base-Base interactions energy: -458.357 where: short stacking energy: -206.245 Base-Backbone interact. energy: 1.210 local terms energy: -248.856988 where: bonds (distance) C4'-P energy: -60.179 bonds (distance) P-C4' energy: -64.382 flat angles C4'-P-C4' energy: -52.740 flat angles P-C4'-P energy: -28.498 tors. eta vs tors. theta energy: -43.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -346.116442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.116442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.116442 (E_RNA) where: Base-Base interactions energy: -117.144 where: short stacking energy: -109.855 Base-Backbone interact. energy: -0.889 local terms energy: -228.082876 where: bonds (distance) C4'-P energy: -67.083 bonds (distance) P-C4' energy: -73.427 flat angles C4'-P-C4' energy: -58.719 flat angles P-C4'-P energy: -44.937 tors. eta vs tors. theta energy: 16.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -320.894690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.894690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.894690 (E_RNA) where: Base-Base interactions energy: -107.472 where: short stacking energy: -90.795 Base-Backbone interact. energy: -1.460 local terms energy: -211.962320 where: bonds (distance) C4'-P energy: -54.673 bonds (distance) P-C4' energy: -82.833 flat angles C4'-P-C4' energy: -54.348 flat angles P-C4'-P energy: -32.602 tors. eta vs tors. theta energy: 12.493 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: 158 Temperature: 0.900000 Total energy: -1374.466735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.466735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.466735 (E_RNA) where: Base-Base interactions energy: -961.326 where: short stacking energy: -398.972 Base-Backbone interact. energy: -1.112 local terms energy: -412.029059 where: bonds (distance) C4'-P energy: -86.828 bonds (distance) P-C4' energy: -72.241 flat angles C4'-P-C4' energy: -86.927 flat angles P-C4'-P energy: -58.599 tors. eta vs tors. theta energy: -107.435 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: 2, replica: 1 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -1300.803430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.803430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.803430 (E_RNA) where: Base-Base interactions energy: -878.909 where: short stacking energy: -385.302 Base-Backbone interact. energy: 1.784 local terms energy: -423.678572 where: bonds (distance) C4'-P energy: -89.121 bonds (distance) P-C4' energy: -76.128 flat angles C4'-P-C4' energy: -92.065 flat angles P-C4'-P energy: -48.096 tors. eta vs tors. theta energy: -118.269 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: 3, replica: 9 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -1237.247270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.247270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.247270 (E_RNA) where: Base-Base interactions energy: -842.829 where: short stacking energy: -353.256 Base-Backbone interact. energy: 0.666 local terms energy: -395.084619 where: bonds (distance) C4'-P energy: -69.793 bonds (distance) P-C4' energy: -78.626 flat angles C4'-P-C4' energy: -80.327 flat angles P-C4'-P energy: -64.413 tors. eta vs tors. theta energy: -101.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -1178.749235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.749235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.749235 (E_RNA) where: Base-Base interactions energy: -797.956 where: short stacking energy: -308.682 Base-Backbone interact. energy: -1.448 local terms energy: -379.345474 where: bonds (distance) C4'-P energy: -80.102 bonds (distance) P-C4' energy: -69.049 flat angles C4'-P-C4' energy: -79.969 flat angles P-C4'-P energy: -62.860 tors. eta vs tors. theta energy: -87.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -1117.724658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.724658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.724658 (E_RNA) where: Base-Base interactions energy: -730.481 where: short stacking energy: -341.266 Base-Backbone interact. energy: -1.418 local terms energy: -385.825177 where: bonds (distance) C4'-P energy: -65.752 bonds (distance) P-C4' energy: -75.419 flat angles C4'-P-C4' energy: -85.254 flat angles P-C4'-P energy: -59.622 tors. eta vs tors. theta energy: -99.778 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: 6 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -851.219120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.219120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.219120 (E_RNA) where: Base-Base interactions energy: -525.089 where: short stacking energy: -233.623 Base-Backbone interact. energy: -0.755 local terms energy: -325.375027 where: bonds (distance) C4'-P energy: -82.014 bonds (distance) P-C4' energy: -79.016 flat angles C4'-P-C4' energy: -64.814 flat angles P-C4'-P energy: -46.427 tors. eta vs tors. theta energy: -53.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -789.588213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.588213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.588213 (E_RNA) where: Base-Base interactions energy: -478.401 where: short stacking energy: -223.186 Base-Backbone interact. energy: 2.886 local terms energy: -314.072778 where: bonds (distance) C4'-P energy: -80.138 bonds (distance) P-C4' energy: -76.060 flat angles C4'-P-C4' energy: -63.797 flat angles P-C4'-P energy: -45.635 tors. eta vs tors. theta energy: -48.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -702.191206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.191206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.191206 (E_RNA) where: Base-Base interactions energy: -401.752 where: short stacking energy: -184.334 Base-Backbone interact. energy: 7.238 local terms energy: -307.677032 where: bonds (distance) C4'-P energy: -77.867 bonds (distance) P-C4' energy: -73.817 flat angles C4'-P-C4' energy: -71.917 flat angles P-C4'-P energy: -50.251 tors. eta vs tors. theta energy: -33.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -369.943789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.943789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.943789 (E_RNA) where: Base-Base interactions energy: -137.196 where: short stacking energy: -96.156 Base-Backbone interact. energy: 7.648 local terms energy: -240.395702 where: bonds (distance) C4'-P energy: -78.622 bonds (distance) P-C4' energy: -76.214 flat angles C4'-P-C4' energy: -61.470 flat angles P-C4'-P energy: -43.140 tors. eta vs tors. theta energy: 19.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -303.465790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.465790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.465790 (E_RNA) where: Base-Base interactions energy: -105.982 where: short stacking energy: -82.398 Base-Backbone interact. energy: 0.418 local terms energy: -197.902146 where: bonds (distance) C4'-P energy: -56.138 bonds (distance) P-C4' energy: -65.592 flat angles C4'-P-C4' energy: -44.953 flat angles P-C4'-P energy: -42.821 tors. eta vs tors. theta energy: 11.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -1403.357898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.357898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.357898 (E_RNA) where: Base-Base interactions energy: -976.392 where: short stacking energy: -406.308 Base-Backbone interact. energy: -0.174 local terms energy: -426.791560 where: bonds (distance) C4'-P energy: -82.905 bonds (distance) P-C4' energy: -86.704 flat angles C4'-P-C4' energy: -79.989 flat angles P-C4'-P energy: -60.312 tors. eta vs tors. theta energy: -116.883 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: 1 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -1300.639092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.639092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.639092 (E_RNA) where: Base-Base interactions energy: -873.101 where: short stacking energy: -382.238 Base-Backbone interact. energy: -2.522 local terms energy: -425.016759 where: bonds (distance) C4'-P energy: -82.578 bonds (distance) P-C4' energy: -80.500 flat angles C4'-P-C4' energy: -87.054 flat angles P-C4'-P energy: -64.445 tors. eta vs tors. theta energy: -110.440 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: 3, replica: 9 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -1252.123343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.123343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.123343 (E_RNA) where: Base-Base interactions energy: -833.181 where: short stacking energy: -326.844 Base-Backbone interact. energy: -2.364 local terms energy: -416.577934 where: bonds (distance) C4'-P energy: -83.024 bonds (distance) P-C4' energy: -78.719 flat angles C4'-P-C4' energy: -88.844 flat angles P-C4'-P energy: -65.073 tors. eta vs tors. theta energy: -100.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -1181.319193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.319193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.319193 (E_RNA) where: Base-Base interactions energy: -813.713 where: short stacking energy: -345.951 Base-Backbone interact. energy: -1.432 local terms energy: -366.174004 where: bonds (distance) C4'-P energy: -63.119 bonds (distance) P-C4' energy: -64.902 flat angles C4'-P-C4' energy: -84.527 flat angles P-C4'-P energy: -59.167 tors. eta vs tors. theta energy: -94.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -1119.993441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.993441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.993441 (E_RNA) where: Base-Base interactions energy: -730.155 where: short stacking energy: -325.428 Base-Backbone interact. energy: 0.627 local terms energy: -390.466006 where: bonds (distance) C4'-P energy: -76.006 bonds (distance) P-C4' energy: -84.822 flat angles C4'-P-C4' energy: -81.135 flat angles P-C4'-P energy: -49.010 tors. eta vs tors. theta energy: -99.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -878.415122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.415122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.415122 (E_RNA) where: Base-Base interactions energy: -531.919 where: short stacking energy: -242.521 Base-Backbone interact. energy: -1.959 local terms energy: -344.536819 where: bonds (distance) C4'-P energy: -73.671 bonds (distance) P-C4' energy: -75.951 flat angles C4'-P-C4' energy: -79.724 flat angles P-C4'-P energy: -53.151 tors. eta vs tors. theta energy: -62.040 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: 7 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -781.532656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.532656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.532656 (E_RNA) where: Base-Base interactions energy: -456.838 where: short stacking energy: -221.188 Base-Backbone interact. energy: -1.822 local terms energy: -322.873092 where: bonds (distance) C4'-P energy: -85.893 bonds (distance) P-C4' energy: -73.693 flat angles C4'-P-C4' energy: -75.429 flat angles P-C4'-P energy: -31.977 tors. eta vs tors. theta energy: -55.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -758.559186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.559186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.559186 (E_RNA) where: Base-Base interactions energy: -457.699 where: short stacking energy: -226.733 Base-Backbone interact. energy: -0.573 local terms energy: -300.286806 where: bonds (distance) C4'-P energy: -66.004 bonds (distance) P-C4' energy: -60.151 flat angles C4'-P-C4' energy: -75.418 flat angles P-C4'-P energy: -39.650 tors. eta vs tors. theta energy: -59.064 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: 10 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -364.958934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.958934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.958934 (E_RNA) where: Base-Base interactions energy: -142.806 where: short stacking energy: -74.811 Base-Backbone interact. energy: -1.616 local terms energy: -220.536313 where: bonds (distance) C4'-P energy: -74.961 bonds (distance) P-C4' energy: -69.912 flat angles C4'-P-C4' energy: -59.628 flat angles P-C4'-P energy: -33.072 tors. eta vs tors. theta energy: 17.037 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: 4 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -307.718652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.718652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.718652 (E_RNA) where: Base-Base interactions energy: -110.096 where: short stacking energy: -105.425 Base-Backbone interact. energy: 7.947 local terms energy: -205.569176 where: bonds (distance) C4'-P energy: -61.837 bonds (distance) P-C4' energy: -68.386 flat angles C4'-P-C4' energy: -56.988 flat angles P-C4'-P energy: -28.639 tors. eta vs tors. theta energy: 10.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -1395.620436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.620436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.620436 (E_RNA) where: Base-Base interactions energy: -967.171 where: short stacking energy: -408.961 Base-Backbone interact. energy: 0.886 local terms energy: -429.335051 where: bonds (distance) C4'-P energy: -91.103 bonds (distance) P-C4' energy: -81.770 flat angles C4'-P-C4' energy: -80.919 flat angles P-C4'-P energy: -56.013 tors. eta vs tors. theta energy: -119.529 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: 1 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -1297.071190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.071190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.071190 (E_RNA) where: Base-Base interactions energy: -869.830 where: short stacking energy: -384.433 Base-Backbone interact. energy: -1.762 local terms energy: -425.478872 where: bonds (distance) C4'-P energy: -85.101 bonds (distance) P-C4' energy: -77.324 flat angles C4'-P-C4' energy: -96.131 flat angles P-C4'-P energy: -47.968 tors. eta vs tors. theta energy: -118.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -1224.254292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.254292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.254292 (E_RNA) where: Base-Base interactions energy: -822.909 where: short stacking energy: -345.620 Base-Backbone interact. energy: -0.381 local terms energy: -400.964987 where: bonds (distance) C4'-P energy: -84.509 bonds (distance) P-C4' energy: -83.685 flat angles C4'-P-C4' energy: -75.923 flat angles P-C4'-P energy: -62.299 tors. eta vs tors. theta energy: -94.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -1163.797156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.797156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.797156 (E_RNA) where: Base-Base interactions energy: -788.988 where: short stacking energy: -332.580 Base-Backbone interact. energy: -3.858 local terms energy: -370.950813 where: bonds (distance) C4'-P energy: -56.979 bonds (distance) P-C4' energy: -79.263 flat angles C4'-P-C4' energy: -92.223 flat angles P-C4'-P energy: -53.087 tors. eta vs tors. theta energy: -89.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -1126.422086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.422086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.422086 (E_RNA) where: Base-Base interactions energy: -746.680 where: short stacking energy: -328.415 Base-Backbone interact. energy: -1.898 local terms energy: -377.843965 where: bonds (distance) C4'-P energy: -64.088 bonds (distance) P-C4' energy: -80.037 flat angles C4'-P-C4' energy: -78.108 flat angles P-C4'-P energy: -57.912 tors. eta vs tors. theta energy: -97.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -875.164741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.164741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.164741 (E_RNA) where: Base-Base interactions energy: -537.856 where: short stacking energy: -238.302 Base-Backbone interact. energy: -2.563 local terms energy: -334.746153 where: bonds (distance) C4'-P energy: -74.138 bonds (distance) P-C4' energy: -83.987 flat angles C4'-P-C4' energy: -74.942 flat angles P-C4'-P energy: -47.040 tors. eta vs tors. theta energy: -54.640 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: 7 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -805.821761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.821761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.821761 (E_RNA) where: Base-Base interactions energy: -508.492 where: short stacking energy: -227.533 Base-Backbone interact. energy: 1.687 local terms energy: -299.016155 where: bonds (distance) C4'-P energy: -57.220 bonds (distance) P-C4' energy: -68.089 flat angles C4'-P-C4' energy: -75.534 flat angles P-C4'-P energy: -49.114 tors. eta vs tors. theta energy: -49.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -761.640203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.640203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.640203 (E_RNA) where: Base-Base interactions energy: -472.466 where: short stacking energy: -247.124 Base-Backbone interact. energy: -0.540 local terms energy: -288.634278 where: bonds (distance) C4'-P energy: -68.064 bonds (distance) P-C4' energy: -50.167 flat angles C4'-P-C4' energy: -73.736 flat angles P-C4'-P energy: -44.106 tors. eta vs tors. theta energy: -52.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -343.254920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.254920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.254920 (E_RNA) where: Base-Base interactions energy: -116.372 where: short stacking energy: -103.038 Base-Backbone interact. energy: 0.685 local terms energy: -227.567541 where: bonds (distance) C4'-P energy: -75.663 bonds (distance) P-C4' energy: -66.386 flat angles C4'-P-C4' energy: -51.564 flat angles P-C4'-P energy: -43.289 tors. eta vs tors. theta energy: 9.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -370.011424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.011424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.011424 (E_RNA) where: Base-Base interactions energy: -137.770 where: short stacking energy: -100.219 Base-Backbone interact. energy: 1.451 local terms energy: -233.692098 where: bonds (distance) C4'-P energy: -76.567 bonds (distance) P-C4' energy: -76.259 flat angles C4'-P-C4' energy: -58.673 flat angles P-C4'-P energy: -32.867 tors. eta vs tors. theta energy: 10.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -1408.653493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.653493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.653493 (E_RNA) where: Base-Base interactions energy: -981.774 where: short stacking energy: -400.891 Base-Backbone interact. energy: 0.177 local terms energy: -427.056669 where: bonds (distance) C4'-P energy: -68.805 bonds (distance) P-C4' energy: -85.208 flat angles C4'-P-C4' energy: -95.221 flat angles P-C4'-P energy: -60.078 tors. eta vs tors. theta energy: -117.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -1288.807857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.807857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.807857 (E_RNA) where: Base-Base interactions energy: -874.132 where: short stacking energy: -399.296 Base-Backbone interact. energy: -0.907 local terms energy: -413.768484 where: bonds (distance) C4'-P energy: -77.320 bonds (distance) P-C4' energy: -81.690 flat angles C4'-P-C4' energy: -84.965 flat angles P-C4'-P energy: -50.120 tors. eta vs tors. theta energy: -119.673 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: 8 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -1256.049543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.049543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.049543 (E_RNA) where: Base-Base interactions energy: -844.888 where: short stacking energy: -353.988 Base-Backbone interact. energy: -1.404 local terms energy: -409.757922 where: bonds (distance) C4'-P energy: -75.350 bonds (distance) P-C4' energy: -87.220 flat angles C4'-P-C4' energy: -86.395 flat angles P-C4'-P energy: -57.400 tors. eta vs tors. theta energy: -103.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -1207.039368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.039368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.039368 (E_RNA) where: Base-Base interactions energy: -810.779 where: short stacking energy: -346.712 Base-Backbone interact. energy: -1.640 local terms energy: -394.620293 where: bonds (distance) C4'-P energy: -81.463 bonds (distance) P-C4' energy: -83.279 flat angles C4'-P-C4' energy: -81.132 flat angles P-C4'-P energy: -49.723 tors. eta vs tors. theta energy: -99.023 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: 5, replica: 5 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -1131.780194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.780194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.780194 (E_RNA) where: Base-Base interactions energy: -743.976 where: short stacking energy: -338.526 Base-Backbone interact. energy: -1.135 local terms energy: -386.669266 where: bonds (distance) C4'-P energy: -69.309 bonds (distance) P-C4' energy: -73.776 flat angles C4'-P-C4' energy: -80.403 flat angles P-C4'-P energy: -61.938 tors. eta vs tors. theta energy: -101.244 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: 6, replica: 6 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -885.686308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.686308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.686308 (E_RNA) where: Base-Base interactions energy: -556.797 where: short stacking energy: -284.275 Base-Backbone interact. energy: 1.662 local terms energy: -330.551075 where: bonds (distance) C4'-P energy: -68.948 bonds (distance) P-C4' energy: -61.601 flat angles C4'-P-C4' energy: -69.931 flat angles P-C4'-P energy: -61.337 tors. eta vs tors. theta energy: -68.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -786.275741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.275741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.275741 (E_RNA) where: Base-Base interactions energy: -497.138 where: short stacking energy: -231.602 Base-Backbone interact. energy: -0.354 local terms energy: -288.783192 where: bonds (distance) C4'-P energy: -73.581 bonds (distance) P-C4' energy: -68.877 flat angles C4'-P-C4' energy: -61.993 flat angles P-C4'-P energy: -39.644 tors. eta vs tors. theta energy: -44.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -792.725853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.725853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.725853 (E_RNA) where: Base-Base interactions energy: -466.558 where: short stacking energy: -214.893 Base-Backbone interact. energy: -1.019 local terms energy: -325.148713 where: bonds (distance) C4'-P energy: -69.512 bonds (distance) P-C4' energy: -78.640 flat angles C4'-P-C4' energy: -71.133 flat angles P-C4'-P energy: -48.971 tors. eta vs tors. theta energy: -56.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -352.046472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.046472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.046472 (E_RNA) where: Base-Base interactions energy: -129.507 where: short stacking energy: -110.335 Base-Backbone interact. energy: 6.732 local terms energy: -229.271284 where: bonds (distance) C4'-P energy: -70.462 bonds (distance) P-C4' energy: -72.226 flat angles C4'-P-C4' energy: -66.189 flat angles P-C4'-P energy: -27.050 tors. eta vs tors. theta energy: 6.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -378.702796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.702796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.702796 (E_RNA) where: Base-Base interactions energy: -171.437 where: short stacking energy: -112.396 Base-Backbone interact. energy: 1.432 local terms energy: -208.698428 where: bonds (distance) C4'-P energy: -70.940 bonds (distance) P-C4' energy: -57.415 flat angles C4'-P-C4' energy: -57.939 flat angles P-C4'-P energy: -34.201 tors. eta vs tors. theta energy: 11.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -1400.696797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.696797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.696797 (E_RNA) where: Base-Base interactions energy: -990.792 where: short stacking energy: -403.355 Base-Backbone interact. energy: 4.206 local terms energy: -414.111143 where: bonds (distance) C4'-P energy: -81.692 bonds (distance) P-C4' energy: -82.246 flat angles C4'-P-C4' energy: -86.116 flat angles P-C4'-P energy: -61.481 tors. eta vs tors. theta energy: -102.576 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: 1 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -1295.935618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.935618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.935618 (E_RNA) where: Base-Base interactions energy: -880.046 where: short stacking energy: -357.060 Base-Backbone interact. energy: -2.649 local terms energy: -413.240881 where: bonds (distance) C4'-P energy: -88.772 bonds (distance) P-C4' energy: -76.987 flat angles C4'-P-C4' energy: -82.811 flat angles P-C4'-P energy: -50.245 tors. eta vs tors. theta energy: -114.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -1247.902906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.902906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.902906 (E_RNA) where: Base-Base interactions energy: -848.938 where: short stacking energy: -355.667 Base-Backbone interact. energy: -0.534 local terms energy: -398.431258 where: bonds (distance) C4'-P energy: -83.864 bonds (distance) P-C4' energy: -69.561 flat angles C4'-P-C4' energy: -91.319 flat angles P-C4'-P energy: -53.889 tors. eta vs tors. theta energy: -99.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -1180.522874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.522874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.522874 (E_RNA) where: Base-Base interactions energy: -795.081 where: short stacking energy: -309.205 Base-Backbone interact. energy: -0.204 local terms energy: -385.237549 where: bonds (distance) C4'-P energy: -75.991 bonds (distance) P-C4' energy: -75.923 flat angles C4'-P-C4' energy: -77.607 flat angles P-C4'-P energy: -55.992 tors. eta vs tors. theta energy: -99.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -1147.536393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.536393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.536393 (E_RNA) where: Base-Base interactions energy: -745.970 where: short stacking energy: -357.701 Base-Backbone interact. energy: -0.676 local terms energy: -400.889987 where: bonds (distance) C4'-P energy: -74.523 bonds (distance) P-C4' energy: -80.742 flat angles C4'-P-C4' energy: -87.876 flat angles P-C4'-P energy: -56.205 tors. eta vs tors. theta energy: -101.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -838.910150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.910150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.910150 (E_RNA) where: Base-Base interactions energy: -540.930 where: short stacking energy: -236.940 Base-Backbone interact. energy: -0.933 local terms energy: -297.047690 where: bonds (distance) C4'-P energy: -76.817 bonds (distance) P-C4' energy: -72.367 flat angles C4'-P-C4' energy: -67.868 flat angles P-C4'-P energy: -48.076 tors. eta vs tors. theta energy: -31.919 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: 162 Temperature: 1.200000 Total energy: -773.948024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.948024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.948024 (E_RNA) where: Base-Base interactions energy: -473.250 where: short stacking energy: -233.871 Base-Backbone interact. energy: 2.431 local terms energy: -303.128988 where: bonds (distance) C4'-P energy: -64.111 bonds (distance) P-C4' energy: -81.769 flat angles C4'-P-C4' energy: -67.808 flat angles P-C4'-P energy: -36.190 tors. eta vs tors. theta energy: -53.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -773.870802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.870802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.870802 (E_RNA) where: Base-Base interactions energy: -478.551 where: short stacking energy: -226.678 Base-Backbone interact. energy: 1.046 local terms energy: -296.366110 where: bonds (distance) C4'-P energy: -70.861 bonds (distance) P-C4' energy: -64.875 flat angles C4'-P-C4' energy: -69.175 flat angles P-C4'-P energy: -41.580 tors. eta vs tors. theta energy: -49.875 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: 162 Temperature: 1.300000 Total energy: -365.068441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.068441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.068441 (E_RNA) where: Base-Base interactions energy: -125.476 where: short stacking energy: -112.742 Base-Backbone interact. energy: -1.507 local terms energy: -238.085261 where: bonds (distance) C4'-P energy: -56.343 bonds (distance) P-C4' energy: -74.154 flat angles C4'-P-C4' energy: -60.391 flat angles P-C4'-P energy: -44.567 tors. eta vs tors. theta energy: -2.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -367.097131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.097131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.097131 (E_RNA) where: Base-Base interactions energy: -157.705 where: short stacking energy: -92.329 Base-Backbone interact. energy: -1.289 local terms energy: -208.103142 where: bonds (distance) C4'-P energy: -67.072 bonds (distance) P-C4' energy: -90.018 flat angles C4'-P-C4' energy: -55.915 flat angles P-C4'-P energy: -21.632 tors. eta vs tors. theta energy: 26.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -1382.476385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.476385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.476385 (E_RNA) where: Base-Base interactions energy: -975.721 where: short stacking energy: -391.248 Base-Backbone interact. energy: 2.749 local terms energy: -409.504653 where: bonds (distance) C4'-P energy: -80.304 bonds (distance) P-C4' energy: -79.873 flat angles C4'-P-C4' energy: -90.082 flat angles P-C4'-P energy: -57.450 tors. eta vs tors. theta energy: -101.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -1261.726705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.726705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.726705 (E_RNA) where: Base-Base interactions energy: -848.318 where: short stacking energy: -344.263 Base-Backbone interact. energy: -3.035 local terms energy: -410.373607 where: bonds (distance) C4'-P energy: -82.106 bonds (distance) P-C4' energy: -76.467 flat angles C4'-P-C4' energy: -87.231 flat angles P-C4'-P energy: -60.448 tors. eta vs tors. theta energy: -104.122 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: 1 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -1278.204272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.204272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.204272 (E_RNA) where: Base-Base interactions energy: -856.719 where: short stacking energy: -363.515 Base-Backbone interact. energy: -2.607 local terms energy: -418.878055 where: bonds (distance) C4'-P energy: -76.045 bonds (distance) P-C4' energy: -80.824 flat angles C4'-P-C4' energy: -86.924 flat angles P-C4'-P energy: -60.874 tors. eta vs tors. theta energy: -114.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -1172.826621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.826621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.826621 (E_RNA) where: Base-Base interactions energy: -803.939 where: short stacking energy: -327.159 Base-Backbone interact. energy: -0.280 local terms energy: -368.607095 where: bonds (distance) C4'-P energy: -67.873 bonds (distance) P-C4' energy: -75.090 flat angles C4'-P-C4' energy: -75.806 flat angles P-C4'-P energy: -54.288 tors. eta vs tors. theta energy: -95.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -1124.018858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.018858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.018858 (E_RNA) where: Base-Base interactions energy: -730.772 where: short stacking energy: -347.200 Base-Backbone interact. energy: -1.339 local terms energy: -391.907717 where: bonds (distance) C4'-P energy: -71.145 bonds (distance) P-C4' energy: -69.370 flat angles C4'-P-C4' energy: -87.074 flat angles P-C4'-P energy: -50.490 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: 6, replica: 6 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -838.620775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.620775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.620775 (E_RNA) where: Base-Base interactions energy: -506.115 where: short stacking energy: -232.731 Base-Backbone interact. energy: -4.045 local terms energy: -328.461482 where: bonds (distance) C4'-P energy: -89.120 bonds (distance) P-C4' energy: -78.174 flat angles C4'-P-C4' energy: -73.814 flat angles P-C4'-P energy: -28.714 tors. eta vs tors. theta energy: -58.640 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: 7 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -828.258343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.258343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.258343 (E_RNA) where: Base-Base interactions energy: -504.689 where: short stacking energy: -249.781 Base-Backbone interact. energy: 0.571 local terms energy: -324.140310 where: bonds (distance) C4'-P energy: -74.292 bonds (distance) P-C4' energy: -74.226 flat angles C4'-P-C4' energy: -69.049 flat angles P-C4'-P energy: -46.642 tors. eta vs tors. theta energy: -59.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -738.514291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.514291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.514291 (E_RNA) where: Base-Base interactions energy: -452.202 where: short stacking energy: -208.899 Base-Backbone interact. energy: 1.451 local terms energy: -287.763398 where: bonds (distance) C4'-P energy: -54.909 bonds (distance) P-C4' energy: -70.321 flat angles C4'-P-C4' energy: -72.788 flat angles P-C4'-P energy: -51.274 tors. eta vs tors. theta energy: -38.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -365.968753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.968753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.968753 (E_RNA) where: Base-Base interactions energy: -117.278 where: short stacking energy: -100.968 Base-Backbone interact. energy: 0.606 local terms energy: -249.296653 where: bonds (distance) C4'-P energy: -71.568 bonds (distance) P-C4' energy: -73.357 flat angles C4'-P-C4' energy: -62.111 flat angles P-C4'-P energy: -41.011 tors. eta vs tors. theta energy: -1.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -324.306706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.306706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.306706 (E_RNA) where: Base-Base interactions energy: -118.205 where: short stacking energy: -112.320 Base-Backbone interact. energy: 5.552 local terms energy: -211.653339 where: bonds (distance) C4'-P energy: -58.653 bonds (distance) P-C4' energy: -70.250 flat angles C4'-P-C4' energy: -54.566 flat angles P-C4'-P energy: -37.282 tors. eta vs tors. theta energy: 9.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -1376.051781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.051781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.051781 (E_RNA) where: Base-Base interactions energy: -952.817 where: short stacking energy: -388.449 Base-Backbone interact. energy: -1.264 local terms energy: -421.971191 where: bonds (distance) C4'-P energy: -82.372 bonds (distance) P-C4' energy: -74.108 flat angles C4'-P-C4' energy: -90.292 flat angles P-C4'-P energy: -59.874 tors. eta vs tors. theta energy: -115.324 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: 9 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -1286.083793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.083793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.083793 (E_RNA) where: Base-Base interactions energy: -877.461 where: short stacking energy: -371.468 Base-Backbone interact. energy: -0.740 local terms energy: -407.882826 where: bonds (distance) C4'-P energy: -83.087 bonds (distance) P-C4' energy: -75.475 flat angles C4'-P-C4' energy: -81.211 flat angles P-C4'-P energy: -56.238 tors. eta vs tors. theta energy: -111.872 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: 1 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -1265.626118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.626118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.626118 (E_RNA) where: Base-Base interactions energy: -851.653 where: short stacking energy: -384.625 Base-Backbone interact. energy: -2.503 local terms energy: -411.470359 where: bonds (distance) C4'-P energy: -75.324 bonds (distance) P-C4' energy: -74.997 flat angles C4'-P-C4' energy: -86.099 flat angles P-C4'-P energy: -54.164 tors. eta vs tors. theta energy: -120.886 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: 4, replica: 8 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -1201.319130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.319130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.319130 (E_RNA) where: Base-Base interactions energy: -817.791 where: short stacking energy: -345.866 Base-Backbone interact. energy: -0.681 local terms energy: -382.847024 where: bonds (distance) C4'-P energy: -70.158 bonds (distance) P-C4' energy: -73.274 flat angles C4'-P-C4' energy: -84.943 flat angles P-C4'-P energy: -63.506 tors. eta vs tors. theta energy: -90.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -1089.690584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.690584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.690584 (E_RNA) where: Base-Base interactions energy: -712.644 where: short stacking energy: -321.748 Base-Backbone interact. energy: -1.336 local terms energy: -375.710534 where: bonds (distance) C4'-P energy: -81.029 bonds (distance) P-C4' energy: -72.687 flat angles C4'-P-C4' energy: -72.258 flat angles P-C4'-P energy: -60.983 tors. eta vs tors. theta energy: -88.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -863.660036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.660036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.660036 (E_RNA) where: Base-Base interactions energy: -559.382 where: short stacking energy: -229.764 Base-Backbone interact. energy: -2.110 local terms energy: -302.168309 where: bonds (distance) C4'-P energy: -65.015 bonds (distance) P-C4' energy: -69.243 flat angles C4'-P-C4' energy: -76.781 flat angles P-C4'-P energy: -43.203 tors. eta vs tors. theta energy: -47.926 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: 7 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -819.281127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.281127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.281127 (E_RNA) where: Base-Base interactions energy: -491.354 where: short stacking energy: -238.071 Base-Backbone interact. energy: 0.407 local terms energy: -328.334279 where: bonds (distance) C4'-P energy: -68.372 bonds (distance) P-C4' energy: -67.034 flat angles C4'-P-C4' energy: -78.382 flat angles P-C4'-P energy: -56.211 tors. eta vs tors. theta energy: -58.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -762.418155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.418155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.418155 (E_RNA) where: Base-Base interactions energy: -467.669 where: short stacking energy: -210.650 Base-Backbone interact. energy: -0.708 local terms energy: -294.040950 where: bonds (distance) C4'-P energy: -62.264 bonds (distance) P-C4' energy: -61.270 flat angles C4'-P-C4' energy: -76.635 flat angles P-C4'-P energy: -50.974 tors. eta vs tors. theta energy: -42.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -379.033617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.033617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.033617 (E_RNA) where: Base-Base interactions energy: -147.956 where: short stacking energy: -114.673 Base-Backbone interact. energy: 6.398 local terms energy: -237.475463 where: bonds (distance) C4'-P energy: -72.113 bonds (distance) P-C4' energy: -75.444 flat angles C4'-P-C4' energy: -55.134 flat angles P-C4'-P energy: -37.096 tors. eta vs tors. theta energy: 2.312 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: 10, replica: 4 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -345.390190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.390190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.390190 (E_RNA) where: Base-Base interactions energy: -105.668 where: short stacking energy: -91.730 Base-Backbone interact. energy: -2.951 local terms energy: -236.770579 where: bonds (distance) C4'-P energy: -69.969 bonds (distance) P-C4' energy: -58.222 flat angles C4'-P-C4' energy: -69.321 flat angles P-C4'-P energy: -39.222 tors. eta vs tors. theta energy: -0.037 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: 3 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -1370.396893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.396893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.396893 (E_RNA) where: Base-Base interactions energy: -959.012 where: short stacking energy: -371.234 Base-Backbone interact. energy: -1.869 local terms energy: -409.515934 where: bonds (distance) C4'-P energy: -71.838 bonds (distance) P-C4' energy: -86.859 flat angles C4'-P-C4' energy: -89.317 flat angles P-C4'-P energy: -61.283 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: 2, replica: 9 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -1266.465451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.465451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.465451 (E_RNA) where: Base-Base interactions energy: -855.152 where: short stacking energy: -373.911 Base-Backbone interact. energy: -2.053 local terms energy: -409.260446 where: bonds (distance) C4'-P energy: -78.278 bonds (distance) P-C4' energy: -79.408 flat angles C4'-P-C4' energy: -91.053 flat angles P-C4'-P energy: -52.966 tors. eta vs tors. theta energy: -107.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -1278.553920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.553920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.553920 (E_RNA) where: Base-Base interactions energy: -838.841 where: short stacking energy: -366.170 Base-Backbone interact. energy: 0.506 local terms energy: -440.218839 where: bonds (distance) C4'-P energy: -83.883 bonds (distance) P-C4' energy: -82.930 flat angles C4'-P-C4' energy: -91.504 flat angles P-C4'-P energy: -68.040 tors. eta vs tors. theta energy: -113.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -1126.928354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.928354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.928354 (E_RNA) where: Base-Base interactions energy: -745.200 where: short stacking energy: -362.829 Base-Backbone interact. energy: 0.905 local terms energy: -382.632959 where: bonds (distance) C4'-P energy: -65.220 bonds (distance) P-C4' energy: -69.759 flat angles C4'-P-C4' energy: -82.690 flat angles P-C4'-P energy: -54.633 tors. eta vs tors. theta energy: -110.332 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: 8 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -1133.879031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.879031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.879031 (E_RNA) where: Base-Base interactions energy: -765.604 where: short stacking energy: -329.411 Base-Backbone interact. energy: -1.256 local terms energy: -367.018765 where: bonds (distance) C4'-P energy: -68.164 bonds (distance) P-C4' energy: -80.989 flat angles C4'-P-C4' energy: -73.311 flat angles P-C4'-P energy: -60.187 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: 6 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -857.587512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.587512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.587512 (E_RNA) where: Base-Base interactions energy: -544.918 where: short stacking energy: -239.413 Base-Backbone interact. energy: -1.549 local terms energy: -311.120807 where: bonds (distance) C4'-P energy: -63.498 bonds (distance) P-C4' energy: -71.673 flat angles C4'-P-C4' energy: -71.785 flat angles P-C4'-P energy: -52.182 tors. eta vs tors. theta energy: -51.982 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: 7 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -824.564342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.564342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.564342 (E_RNA) where: Base-Base interactions energy: -506.817 where: short stacking energy: -240.120 Base-Backbone interact. energy: -0.025 local terms energy: -317.723067 where: bonds (distance) C4'-P energy: -66.250 bonds (distance) P-C4' energy: -85.480 flat angles C4'-P-C4' energy: -70.195 flat angles P-C4'-P energy: -36.116 tors. eta vs tors. theta energy: -59.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -748.325902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.325902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.325902 (E_RNA) where: Base-Base interactions energy: -448.289 where: short stacking energy: -203.582 Base-Backbone interact. energy: -1.757 local terms energy: -298.280459 where: bonds (distance) C4'-P energy: -67.000 bonds (distance) P-C4' energy: -74.325 flat angles C4'-P-C4' energy: -72.253 flat angles P-C4'-P energy: -52.953 tors. eta vs tors. theta energy: -31.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -412.284768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.284768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.284768 (E_RNA) where: Base-Base interactions energy: -177.555 where: short stacking energy: -123.021 Base-Backbone interact. energy: 0.416 local terms energy: -235.145956 where: bonds (distance) C4'-P energy: -65.111 bonds (distance) P-C4' energy: -69.053 flat angles C4'-P-C4' energy: -52.293 flat angles P-C4'-P energy: -41.445 tors. eta vs tors. theta energy: -7.243 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: 4 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -318.382578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.382578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.382578 (E_RNA) where: Base-Base interactions energy: -117.379 where: short stacking energy: -110.129 Base-Backbone interact. energy: 2.429 local terms energy: -203.432405 where: bonds (distance) C4'-P energy: -64.232 bonds (distance) P-C4' energy: -65.456 flat angles C4'-P-C4' energy: -45.119 flat angles P-C4'-P energy: -36.007 tors. eta vs tors. theta energy: 7.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -1362.880352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.880352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.880352 (E_RNA) where: Base-Base interactions energy: -934.818 where: short stacking energy: -396.680 Base-Backbone interact. energy: -2.110 local terms energy: -425.952789 where: bonds (distance) C4'-P energy: -80.660 bonds (distance) P-C4' energy: -87.021 flat angles C4'-P-C4' energy: -85.878 flat angles P-C4'-P energy: -62.022 tors. eta vs tors. theta energy: -110.371 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: 2, replica: 9 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -1233.099760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.099760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.099760 (E_RNA) where: Base-Base interactions energy: -816.681 where: short stacking energy: -353.155 Base-Backbone interact. energy: -1.279 local terms energy: -415.139749 where: bonds (distance) C4'-P energy: -80.066 bonds (distance) P-C4' energy: -81.343 flat angles C4'-P-C4' energy: -91.598 flat angles P-C4'-P energy: -59.033 tors. eta vs tors. theta energy: -103.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -1255.104438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.104438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.104438 (E_RNA) where: Base-Base interactions energy: -849.601 where: short stacking energy: -367.727 Base-Backbone interact. energy: -2.070 local terms energy: -403.433273 where: bonds (distance) C4'-P energy: -73.589 bonds (distance) P-C4' energy: -84.808 flat angles C4'-P-C4' energy: -78.191 flat angles P-C4'-P energy: -55.830 tors. eta vs tors. theta energy: -111.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -1154.339926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.339926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.339926 (E_RNA) where: Base-Base interactions energy: -746.238 where: short stacking energy: -353.485 Base-Backbone interact. energy: -1.311 local terms energy: -406.791679 where: bonds (distance) C4'-P energy: -70.296 bonds (distance) P-C4' energy: -75.944 flat angles C4'-P-C4' energy: -81.646 flat angles P-C4'-P energy: -63.754 tors. eta vs tors. theta energy: -115.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -1117.747209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.747209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.747209 (E_RNA) where: Base-Base interactions energy: -763.942 where: short stacking energy: -315.664 Base-Backbone interact. energy: 3.419 local terms energy: -357.225108 where: bonds (distance) C4'-P energy: -72.810 bonds (distance) P-C4' energy: -72.790 flat angles C4'-P-C4' energy: -80.784 flat angles P-C4'-P energy: -54.834 tors. eta vs tors. theta energy: -76.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -874.898515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.898515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.898515 (E_RNA) where: Base-Base interactions energy: -524.567 where: short stacking energy: -239.778 Base-Backbone interact. energy: -0.086 local terms energy: -350.244894 where: bonds (distance) C4'-P energy: -79.995 bonds (distance) P-C4' energy: -86.466 flat angles C4'-P-C4' energy: -68.641 flat angles P-C4'-P energy: -49.609 tors. eta vs tors. theta energy: -65.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -822.201778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.201778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.201778 (E_RNA) where: Base-Base interactions energy: -520.887 where: short stacking energy: -233.426 Base-Backbone interact. energy: 0.753 local terms energy: -302.068547 where: bonds (distance) C4'-P energy: -62.682 bonds (distance) P-C4' energy: -67.699 flat angles C4'-P-C4' energy: -74.723 flat angles P-C4'-P energy: -46.079 tors. eta vs tors. theta energy: -50.885 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: 2 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -785.176943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.176943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.176943 (E_RNA) where: Base-Base interactions energy: -498.990 where: short stacking energy: -230.540 Base-Backbone interact. energy: -0.224 local terms energy: -285.963239 where: bonds (distance) C4'-P energy: -51.604 bonds (distance) P-C4' energy: -64.233 flat angles C4'-P-C4' energy: -71.521 flat angles P-C4'-P energy: -39.450 tors. eta vs tors. theta energy: -59.154 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: 10 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -407.296500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.296500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.296500 (E_RNA) where: Base-Base interactions energy: -172.153 where: short stacking energy: -120.144 Base-Backbone interact. energy: 0.536 local terms energy: -235.679663 where: bonds (distance) C4'-P energy: -57.152 bonds (distance) P-C4' energy: -74.175 flat angles C4'-P-C4' energy: -70.348 flat angles P-C4'-P energy: -27.228 tors. eta vs tors. theta energy: -6.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -317.484735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.484735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.484735 (E_RNA) where: Base-Base interactions energy: -115.916 where: short stacking energy: -97.709 Base-Backbone interact. energy: 2.072 local terms energy: -203.641610 where: bonds (distance) C4'-P energy: -60.943 bonds (distance) P-C4' energy: -72.980 flat angles C4'-P-C4' energy: -47.749 flat angles P-C4'-P energy: -31.971 tors. eta vs tors. theta energy: 10.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -1354.368160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.368160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.368160 (E_RNA) where: Base-Base interactions energy: -921.206 where: short stacking energy: -374.119 Base-Backbone interact. energy: -4.930 local terms energy: -428.232020 where: bonds (distance) C4'-P energy: -73.856 bonds (distance) P-C4' energy: -91.658 flat angles C4'-P-C4' energy: -92.296 flat angles P-C4'-P energy: -63.087 tors. eta vs tors. theta energy: -107.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -1262.430710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.430710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.430710 (E_RNA) where: Base-Base interactions energy: -836.459 where: short stacking energy: -367.615 Base-Backbone interact. energy: -0.057 local terms energy: -425.914511 where: bonds (distance) C4'-P energy: -87.355 bonds (distance) P-C4' energy: -78.832 flat angles C4'-P-C4' energy: -85.152 flat angles P-C4'-P energy: -59.910 tors. eta vs tors. theta energy: -114.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -1258.910280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.910280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.910280 (E_RNA) where: Base-Base interactions energy: -857.484 where: short stacking energy: -356.548 Base-Backbone interact. energy: -1.551 local terms energy: -399.875443 where: bonds (distance) C4'-P energy: -74.545 bonds (distance) P-C4' energy: -82.989 flat angles C4'-P-C4' energy: -85.918 flat angles P-C4'-P energy: -43.564 tors. eta vs tors. theta energy: -112.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -1142.995474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.995474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.995474 (E_RNA) where: Base-Base interactions energy: -764.562 where: short stacking energy: -347.972 Base-Backbone interact. energy: -1.080 local terms energy: -377.353780 where: bonds (distance) C4'-P energy: -58.406 bonds (distance) P-C4' energy: -82.129 flat angles C4'-P-C4' energy: -87.043 flat angles P-C4'-P energy: -52.522 tors. eta vs tors. theta energy: -97.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -1138.209672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.209672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.209672 (E_RNA) where: Base-Base interactions energy: -793.977 where: short stacking energy: -306.699 Base-Backbone interact. energy: -2.349 local terms energy: -341.883504 where: bonds (distance) C4'-P energy: -71.067 bonds (distance) P-C4' energy: -79.918 flat angles C4'-P-C4' energy: -61.207 flat angles P-C4'-P energy: -49.541 tors. eta vs tors. theta energy: -80.150 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: 6 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -869.810623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.810623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.810623 (E_RNA) where: Base-Base interactions energy: -563.989 where: short stacking energy: -238.387 Base-Backbone interact. energy: -1.891 local terms energy: -303.931158 where: bonds (distance) C4'-P energy: -69.931 bonds (distance) P-C4' energy: -68.797 flat angles C4'-P-C4' energy: -69.252 flat angles P-C4'-P energy: -45.393 tors. eta vs tors. theta energy: -50.558 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: 7 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -783.458127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.458127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.458127 (E_RNA) where: Base-Base interactions energy: -469.040 where: short stacking energy: -216.584 Base-Backbone interact. energy: -1.318 local terms energy: -313.099767 where: bonds (distance) C4'-P energy: -67.038 bonds (distance) P-C4' energy: -67.099 flat angles C4'-P-C4' energy: -75.686 flat angles P-C4'-P energy: -58.415 tors. eta vs tors. theta energy: -44.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -757.789919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.789919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.789919 (E_RNA) where: Base-Base interactions energy: -462.382 where: short stacking energy: -202.800 Base-Backbone interact. energy: 3.498 local terms energy: -298.906517 where: bonds (distance) C4'-P energy: -79.429 bonds (distance) P-C4' energy: -71.754 flat angles C4'-P-C4' energy: -77.909 flat angles P-C4'-P energy: -31.177 tors. eta vs tors. theta energy: -38.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -400.379651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.379651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.379651 (E_RNA) where: Base-Base interactions energy: -180.123 where: short stacking energy: -99.122 Base-Backbone interact. energy: -0.199 local terms energy: -220.057817 where: bonds (distance) C4'-P energy: -59.799 bonds (distance) P-C4' energy: -79.350 flat angles C4'-P-C4' energy: -65.091 flat angles P-C4'-P energy: -29.074 tors. eta vs tors. theta energy: 13.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -346.800262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.800262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.800262 (E_RNA) where: Base-Base interactions energy: -118.670 where: short stacking energy: -105.668 Base-Backbone interact. energy: -0.623 local terms energy: -227.507999 where: bonds (distance) C4'-P energy: -65.156 bonds (distance) P-C4' energy: -73.473 flat angles C4'-P-C4' energy: -71.207 flat angles P-C4'-P energy: -39.291 tors. eta vs tors. theta energy: 21.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -1376.708739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.708739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.708739 (E_RNA) where: Base-Base interactions energy: -953.092 where: short stacking energy: -414.611 Base-Backbone interact. energy: -3.007 local terms energy: -420.610326 where: bonds (distance) C4'-P energy: -72.445 bonds (distance) P-C4' energy: -76.167 flat angles C4'-P-C4' energy: -95.679 flat angles P-C4'-P energy: -59.865 tors. eta vs tors. theta energy: -116.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -1279.173318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.173318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.173318 (E_RNA) where: Base-Base interactions energy: -851.733 where: short stacking energy: -381.963 Base-Backbone interact. energy: -0.674 local terms energy: -426.765698 where: bonds (distance) C4'-P energy: -77.372 bonds (distance) P-C4' energy: -87.019 flat angles C4'-P-C4' energy: -86.585 flat angles P-C4'-P energy: -56.180 tors. eta vs tors. theta energy: -119.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -1234.146161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.146161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.146161 (E_RNA) where: Base-Base interactions energy: -835.172 where: short stacking energy: -365.704 Base-Backbone interact. energy: -2.956 local terms energy: -396.018553 where: bonds (distance) C4'-P energy: -74.060 bonds (distance) P-C4' energy: -75.328 flat angles C4'-P-C4' energy: -94.206 flat angles P-C4'-P energy: -53.261 tors. eta vs tors. theta energy: -99.164 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: 5 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -1141.493649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.493649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.493649 (E_RNA) where: Base-Base interactions energy: -752.625 where: short stacking energy: -349.818 Base-Backbone interact. energy: -0.375 local terms energy: -388.493651 where: bonds (distance) C4'-P energy: -71.855 bonds (distance) P-C4' energy: -68.182 flat angles C4'-P-C4' energy: -89.195 flat angles P-C4'-P energy: -63.166 tors. eta vs tors. theta energy: -96.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -1152.070535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.070535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.070535 (E_RNA) where: Base-Base interactions energy: -792.280 where: short stacking energy: -333.238 Base-Backbone interact. energy: -2.279 local terms energy: -357.511690 where: bonds (distance) C4'-P energy: -64.021 bonds (distance) P-C4' energy: -75.333 flat angles C4'-P-C4' energy: -77.309 flat angles P-C4'-P energy: -48.251 tors. eta vs tors. theta energy: -92.598 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: 6, replica: 6 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -870.579455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.579455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.579455 (E_RNA) where: Base-Base interactions energy: -555.812 where: short stacking energy: -243.079 Base-Backbone interact. energy: -0.709 local terms energy: -314.058156 where: bonds (distance) C4'-P energy: -67.470 bonds (distance) P-C4' energy: -81.493 flat angles C4'-P-C4' energy: -71.382 flat angles P-C4'-P energy: -49.041 tors. eta vs tors. theta energy: -44.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -788.124602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.124602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.124602 (E_RNA) where: Base-Base interactions energy: -474.057 where: short stacking energy: -224.231 Base-Backbone interact. energy: -2.729 local terms energy: -311.338535 where: bonds (distance) C4'-P energy: -66.248 bonds (distance) P-C4' energy: -70.324 flat angles C4'-P-C4' energy: -66.751 flat angles P-C4'-P energy: -59.283 tors. eta vs tors. theta energy: -48.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -695.967470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.967470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.967470 (E_RNA) where: Base-Base interactions energy: -425.523 where: short stacking energy: -189.400 Base-Backbone interact. energy: 0.507 local terms energy: -270.951181 where: bonds (distance) C4'-P energy: -72.189 bonds (distance) P-C4' energy: -61.968 flat angles C4'-P-C4' energy: -63.601 flat angles P-C4'-P energy: -36.641 tors. eta vs tors. theta energy: -36.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -362.447350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.447350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.447350 (E_RNA) where: Base-Base interactions energy: -136.368 where: short stacking energy: -108.640 Base-Backbone interact. energy: 1.744 local terms energy: -227.823230 where: bonds (distance) C4'-P energy: -65.611 bonds (distance) P-C4' energy: -73.465 flat angles C4'-P-C4' energy: -53.664 flat angles P-C4'-P energy: -37.740 tors. eta vs tors. theta energy: 2.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -320.003314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.003314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.003314 (E_RNA) where: Base-Base interactions energy: -114.647 where: short stacking energy: -93.841 Base-Backbone interact. energy: -1.876 local terms energy: -203.479943 where: bonds (distance) C4'-P energy: -65.663 bonds (distance) P-C4' energy: -71.869 flat angles C4'-P-C4' energy: -60.040 flat angles P-C4'-P energy: -20.781 tors. eta vs tors. theta energy: 14.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -1383.043319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.043319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.043319 (E_RNA) where: Base-Base interactions energy: -968.465 where: short stacking energy: -396.979 Base-Backbone interact. energy: -2.773 local terms energy: -411.805631 where: bonds (distance) C4'-P energy: -79.987 bonds (distance) P-C4' energy: -87.969 flat angles C4'-P-C4' energy: -84.430 flat angles P-C4'-P energy: -45.740 tors. eta vs tors. theta energy: -113.680 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: 1 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -1288.316985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.316985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.316985 (E_RNA) where: Base-Base interactions energy: -873.920 where: short stacking energy: -388.710 Base-Backbone interact. energy: -2.074 local terms energy: -412.323285 where: bonds (distance) C4'-P energy: -83.794 bonds (distance) P-C4' energy: -74.467 flat angles C4'-P-C4' energy: -85.956 flat angles P-C4'-P energy: -54.083 tors. eta vs tors. theta energy: -114.023 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: 9 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -1254.017784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.017784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.017784 (E_RNA) where: Base-Base interactions energy: -865.115 where: short stacking energy: -374.899 Base-Backbone interact. energy: -1.434 local terms energy: -387.468555 where: bonds (distance) C4'-P energy: -56.507 bonds (distance) P-C4' energy: -80.806 flat angles C4'-P-C4' energy: -83.809 flat angles P-C4'-P energy: -56.217 tors. eta vs tors. theta energy: -110.129 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: 8 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -1178.000537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.000537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.000537 (E_RNA) where: Base-Base interactions energy: -786.761 where: short stacking energy: -330.256 Base-Backbone interact. energy: 0.549 local terms energy: -391.789325 where: bonds (distance) C4'-P energy: -66.246 bonds (distance) P-C4' energy: -87.913 flat angles C4'-P-C4' energy: -83.075 flat angles P-C4'-P energy: -48.857 tors. eta vs tors. theta energy: -105.698 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: 5 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -1112.547411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.547411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.547411 (E_RNA) where: Base-Base interactions energy: -736.225 where: short stacking energy: -322.639 Base-Backbone interact. energy: -0.310 local terms energy: -376.011656 where: bonds (distance) C4'-P energy: -71.007 bonds (distance) P-C4' energy: -73.078 flat angles C4'-P-C4' energy: -75.518 flat angles P-C4'-P energy: -50.641 tors. eta vs tors. theta energy: -105.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -916.118396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.118396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.118396 (E_RNA) where: Base-Base interactions energy: -597.534 where: short stacking energy: -267.434 Base-Backbone interact. energy: -1.041 local terms energy: -317.543247 where: bonds (distance) C4'-P energy: -68.634 bonds (distance) P-C4' energy: -62.309 flat angles C4'-P-C4' energy: -75.905 flat angles P-C4'-P energy: -52.159 tors. eta vs tors. theta energy: -58.536 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: 7 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -772.467338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.467338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.467338 (E_RNA) where: Base-Base interactions energy: -476.059 where: short stacking energy: -240.690 Base-Backbone interact. energy: -0.096 local terms energy: -296.312368 where: bonds (distance) C4'-P energy: -57.790 bonds (distance) P-C4' energy: -77.963 flat angles C4'-P-C4' energy: -73.016 flat angles P-C4'-P energy: -31.668 tors. eta vs tors. theta energy: -55.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -711.149160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.149160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.149160 (E_RNA) where: Base-Base interactions energy: -422.240 where: short stacking energy: -200.116 Base-Backbone interact. energy: 7.955 local terms energy: -296.864105 where: bonds (distance) C4'-P energy: -53.166 bonds (distance) P-C4' energy: -61.056 flat angles C4'-P-C4' energy: -81.440 flat angles P-C4'-P energy: -51.864 tors. eta vs tors. theta energy: -49.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -365.229049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.229049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.229049 (E_RNA) where: Base-Base interactions energy: -142.720 where: short stacking energy: -90.856 Base-Backbone interact. energy: 0.828 local terms energy: -223.336321 where: bonds (distance) C4'-P energy: -58.696 bonds (distance) P-C4' energy: -81.897 flat angles C4'-P-C4' energy: -53.422 flat angles P-C4'-P energy: -34.381 tors. eta vs tors. theta energy: 5.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -354.198505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.198505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.198505 (E_RNA) where: Base-Base interactions energy: -103.892 where: short stacking energy: -70.333 Base-Backbone interact. energy: 0.554 local terms energy: -250.860460 where: bonds (distance) C4'-P energy: -77.596 bonds (distance) P-C4' energy: -79.028 flat angles C4'-P-C4' energy: -60.969 flat angles P-C4'-P energy: -48.559 tors. eta vs tors. theta energy: 15.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -1345.880315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.880315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.880315 (E_RNA) where: Base-Base interactions energy: -929.696 where: short stacking energy: -387.009 Base-Backbone interact. energy: -3.013 local terms energy: -413.171516 where: bonds (distance) C4'-P energy: -81.570 bonds (distance) P-C4' energy: -75.717 flat angles C4'-P-C4' energy: -89.085 flat angles P-C4'-P energy: -56.422 tors. eta vs tors. theta energy: -110.377 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: 2, replica: 1 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -1290.042567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.042567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.042567 (E_RNA) where: Base-Base interactions energy: -861.010 where: short stacking energy: -375.985 Base-Backbone interact. energy: 1.865 local terms energy: -430.897875 where: bonds (distance) C4'-P energy: -93.314 bonds (distance) P-C4' energy: -79.257 flat angles C4'-P-C4' energy: -92.088 flat angles P-C4'-P energy: -60.405 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: 3, replica: 9 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -1252.743049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.743049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.743049 (E_RNA) where: Base-Base interactions energy: -844.383 where: short stacking energy: -351.109 Base-Backbone interact. energy: -2.199 local terms energy: -406.161466 where: bonds (distance) C4'-P energy: -79.792 bonds (distance) P-C4' energy: -79.434 flat angles C4'-P-C4' energy: -93.843 flat angles P-C4'-P energy: -48.960 tors. eta vs tors. theta energy: -104.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -1163.720005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.720005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.720005 (E_RNA) where: Base-Base interactions energy: -790.133 where: short stacking energy: -328.236 Base-Backbone interact. energy: -1.666 local terms energy: -371.920490 where: bonds (distance) C4'-P energy: -68.817 bonds (distance) P-C4' energy: -72.163 flat angles C4'-P-C4' energy: -85.591 flat angles P-C4'-P energy: -58.493 tors. eta vs tors. theta energy: -86.856 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: 5, replica: 5 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -1059.795157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.795157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.795157 (E_RNA) where: Base-Base interactions energy: -675.517 where: short stacking energy: -307.026 Base-Backbone interact. energy: -2.418 local terms energy: -381.860134 where: bonds (distance) C4'-P energy: -72.926 bonds (distance) P-C4' energy: -78.355 flat angles C4'-P-C4' energy: -82.497 flat angles P-C4'-P energy: -59.432 tors. eta vs tors. theta energy: -88.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -932.227988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.227988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.227988 (E_RNA) where: Base-Base interactions energy: -597.795 where: short stacking energy: -280.916 Base-Backbone interact. energy: -1.515 local terms energy: -332.917813 where: bonds (distance) C4'-P energy: -52.005 bonds (distance) P-C4' energy: -75.080 flat angles C4'-P-C4' energy: -75.267 flat angles P-C4'-P energy: -54.049 tors. eta vs tors. theta energy: -76.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -763.301371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.301371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.301371 (E_RNA) where: Base-Base interactions energy: -465.344 where: short stacking energy: -193.622 Base-Backbone interact. energy: -1.606 local terms energy: -296.351429 where: bonds (distance) C4'-P energy: -74.561 bonds (distance) P-C4' energy: -72.075 flat angles C4'-P-C4' energy: -67.936 flat angles P-C4'-P energy: -38.944 tors. eta vs tors. theta energy: -42.836 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: 2 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -681.230100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.230100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.230100 (E_RNA) where: Base-Base interactions energy: -423.039 where: short stacking energy: -205.040 Base-Backbone interact. energy: -1.082 local terms energy: -257.108644 where: bonds (distance) C4'-P energy: -53.393 bonds (distance) P-C4' energy: -50.224 flat angles C4'-P-C4' energy: -73.604 flat angles P-C4'-P energy: -46.938 tors. eta vs tors. theta energy: -32.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -402.961689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.961689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.961689 (E_RNA) where: Base-Base interactions energy: -171.751 where: short stacking energy: -118.847 Base-Backbone interact. energy: -0.680 local terms energy: -230.530659 where: bonds (distance) C4'-P energy: -71.007 bonds (distance) P-C4' energy: -73.046 flat angles C4'-P-C4' energy: -53.483 flat angles P-C4'-P energy: -27.788 tors. eta vs tors. theta energy: -5.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -337.684636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.684636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.684636 (E_RNA) where: Base-Base interactions energy: -118.823 where: short stacking energy: -75.459 Base-Backbone interact. energy: 6.443 local terms energy: -225.304934 where: bonds (distance) C4'-P energy: -69.525 bonds (distance) P-C4' energy: -81.457 flat angles C4'-P-C4' energy: -67.667 flat angles P-C4'-P energy: -19.529 tors. eta vs tors. theta energy: 12.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -1367.497556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.497556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.497556 (E_RNA) where: Base-Base interactions energy: -925.888 where: short stacking energy: -401.300 Base-Backbone interact. energy: -4.740 local terms energy: -436.870094 where: bonds (distance) C4'-P energy: -85.527 bonds (distance) P-C4' energy: -78.047 flat angles C4'-P-C4' energy: -90.312 flat angles P-C4'-P energy: -67.662 tors. eta vs tors. theta energy: -115.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -1291.497613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.497613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.497613 (E_RNA) where: Base-Base interactions energy: -849.731 where: short stacking energy: -378.846 Base-Backbone interact. energy: 0.186 local terms energy: -441.953059 where: bonds (distance) C4'-P energy: -84.890 bonds (distance) P-C4' energy: -82.255 flat angles C4'-P-C4' energy: -90.291 flat angles P-C4'-P energy: -61.239 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: 3, replica: 1 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -1233.870374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.870374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.870374 (E_RNA) where: Base-Base interactions energy: -831.814 where: short stacking energy: -342.970 Base-Backbone interact. energy: -1.504 local terms energy: -400.552636 where: bonds (distance) C4'-P energy: -76.389 bonds (distance) P-C4' energy: -87.010 flat angles C4'-P-C4' energy: -82.510 flat angles P-C4'-P energy: -54.447 tors. eta vs tors. theta energy: -100.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -1182.561389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.561389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.561389 (E_RNA) where: Base-Base interactions energy: -809.170 where: short stacking energy: -347.186 Base-Backbone interact. energy: -1.218 local terms energy: -372.172919 where: bonds (distance) C4'-P energy: -74.403 bonds (distance) P-C4' energy: -73.585 flat angles C4'-P-C4' energy: -77.105 flat angles P-C4'-P energy: -47.439 tors. eta vs tors. theta energy: -99.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -1078.390554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.390554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.390554 (E_RNA) where: Base-Base interactions energy: -700.288 where: short stacking energy: -314.562 Base-Backbone interact. energy: 1.130 local terms energy: -379.232839 where: bonds (distance) C4'-P energy: -66.015 bonds (distance) P-C4' energy: -85.213 flat angles C4'-P-C4' energy: -82.250 flat angles P-C4'-P energy: -56.555 tors. eta vs tors. theta energy: -89.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -981.968113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.968113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.968113 (E_RNA) where: Base-Base interactions energy: -652.563 where: short stacking energy: -290.001 Base-Backbone interact. energy: 0.834 local terms energy: -330.238608 where: bonds (distance) C4'-P energy: -78.484 bonds (distance) P-C4' energy: -65.568 flat angles C4'-P-C4' energy: -64.666 flat angles P-C4'-P energy: -54.691 tors. eta vs tors. theta energy: -66.829 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: 7, replica: 7 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -796.849477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.849477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.849477 (E_RNA) where: Base-Base interactions energy: -494.715 where: short stacking energy: -229.099 Base-Backbone interact. energy: -3.029 local terms energy: -299.105592 where: bonds (distance) C4'-P energy: -61.530 bonds (distance) P-C4' energy: -72.823 flat angles C4'-P-C4' energy: -66.829 flat angles P-C4'-P energy: -47.256 tors. eta vs tors. theta energy: -50.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -715.015113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.015113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.015113 (E_RNA) where: Base-Base interactions energy: -435.018 where: short stacking energy: -218.047 Base-Backbone interact. energy: 4.154 local terms energy: -284.150963 where: bonds (distance) C4'-P energy: -57.542 bonds (distance) P-C4' energy: -77.663 flat angles C4'-P-C4' energy: -73.545 flat angles P-C4'-P energy: -44.118 tors. eta vs tors. theta energy: -31.283 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: 4 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -430.907195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.907195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.907195 (E_RNA) where: Base-Base interactions energy: -191.330 where: short stacking energy: -127.547 Base-Backbone interact. energy: 0.413 local terms energy: -239.990529 where: bonds (distance) C4'-P energy: -77.525 bonds (distance) P-C4' energy: -66.713 flat angles C4'-P-C4' energy: -62.484 flat angles P-C4'-P energy: -33.432 tors. eta vs tors. theta energy: 0.163 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: 10, replica: 10 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -332.025616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.025616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.025616 (E_RNA) where: Base-Base interactions energy: -111.954 where: short stacking energy: -98.164 Base-Backbone interact. energy: 3.245 local terms energy: -223.317061 where: bonds (distance) C4'-P energy: -65.563 bonds (distance) P-C4' energy: -71.539 flat angles C4'-P-C4' energy: -40.876 flat angles P-C4'-P energy: -50.448 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: 1, replica: 3 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -1373.872045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.872045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.872045 (E_RNA) where: Base-Base interactions energy: -928.276 where: short stacking energy: -396.355 Base-Backbone interact. energy: -2.444 local terms energy: -443.152239 where: bonds (distance) C4'-P energy: -80.888 bonds (distance) P-C4' energy: -91.782 flat angles C4'-P-C4' energy: -87.058 flat angles P-C4'-P energy: -64.733 tors. eta vs tors. theta energy: -118.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -1269.596794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.596794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.596794 (E_RNA) where: Base-Base interactions energy: -835.680 where: short stacking energy: -384.682 Base-Backbone interact. energy: -1.378 local terms energy: -432.539643 where: bonds (distance) C4'-P energy: -79.239 bonds (distance) P-C4' energy: -89.977 flat angles C4'-P-C4' energy: -85.947 flat angles P-C4'-P energy: -57.767 tors. eta vs tors. theta energy: -119.609 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: 8 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -1231.787733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.787733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.787733 (E_RNA) where: Base-Base interactions energy: -827.812 where: short stacking energy: -342.866 Base-Backbone interact. energy: -0.913 local terms energy: -403.063147 where: bonds (distance) C4'-P energy: -69.240 bonds (distance) P-C4' energy: -87.931 flat angles C4'-P-C4' energy: -79.833 flat angles P-C4'-P energy: -64.723 tors. eta vs tors. theta energy: -101.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -1172.130691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.130691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.130691 (E_RNA) where: Base-Base interactions energy: -784.913 where: short stacking energy: -347.295 Base-Backbone interact. energy: 1.175 local terms energy: -388.392631 where: bonds (distance) C4'-P energy: -70.745 bonds (distance) P-C4' energy: -76.210 flat angles C4'-P-C4' energy: -89.789 flat angles P-C4'-P energy: -53.961 tors. eta vs tors. theta energy: -97.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -1113.925542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.925542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.925542 (E_RNA) where: Base-Base interactions energy: -751.075 where: short stacking energy: -343.827 Base-Backbone interact. energy: -0.203 local terms energy: -362.647070 where: bonds (distance) C4'-P energy: -71.938 bonds (distance) P-C4' energy: -56.752 flat angles C4'-P-C4' energy: -81.948 flat angles P-C4'-P energy: -54.707 tors. eta vs tors. theta energy: -97.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -994.848481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.848481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.848481 (E_RNA) where: Base-Base interactions energy: -649.069 where: short stacking energy: -298.945 Base-Backbone interact. energy: -0.141 local terms energy: -345.639357 where: bonds (distance) C4'-P energy: -77.485 bonds (distance) P-C4' energy: -75.382 flat angles C4'-P-C4' energy: -82.419 flat angles P-C4'-P energy: -34.682 tors. eta vs tors. theta energy: -75.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -772.844925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.844925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.844925 (E_RNA) where: Base-Base interactions energy: -460.358 where: short stacking energy: -221.130 Base-Backbone interact. energy: -2.284 local terms energy: -310.202551 where: bonds (distance) C4'-P energy: -74.227 bonds (distance) P-C4' energy: -72.434 flat angles C4'-P-C4' energy: -56.465 flat angles P-C4'-P energy: -55.515 tors. eta vs tors. theta energy: -51.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -711.575014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.575014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.575014 (E_RNA) where: Base-Base interactions energy: -422.153 where: short stacking energy: -194.821 Base-Backbone interact. energy: 0.251 local terms energy: -289.672532 where: bonds (distance) C4'-P energy: -71.128 bonds (distance) P-C4' energy: -61.577 flat angles C4'-P-C4' energy: -63.341 flat angles P-C4'-P energy: -60.277 tors. eta vs tors. theta energy: -33.350 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: 9, replica: 4 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -425.700880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.700880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.700880 (E_RNA) where: Base-Base interactions energy: -205.341 where: short stacking energy: -133.780 Base-Backbone interact. energy: -0.073 local terms energy: -220.286887 where: bonds (distance) C4'-P energy: -65.412 bonds (distance) P-C4' energy: -69.935 flat angles C4'-P-C4' energy: -59.924 flat angles P-C4'-P energy: -29.215 tors. eta vs tors. theta energy: 4.200 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: 10 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -329.941019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.941019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.941019 (E_RNA) where: Base-Base interactions energy: -140.711 where: short stacking energy: -96.953 Base-Backbone interact. energy: -0.608 local terms energy: -188.621748 where: bonds (distance) C4'-P energy: -45.956 bonds (distance) P-C4' energy: -69.223 flat angles C4'-P-C4' energy: -56.067 flat angles P-C4'-P energy: -33.911 tors. eta vs tors. theta energy: 16.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -1409.254489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.254489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.254489 (E_RNA) where: Base-Base interactions energy: -982.756 where: short stacking energy: -393.006 Base-Backbone interact. energy: -2.056 local terms energy: -424.442406 where: bonds (distance) C4'-P energy: -76.375 bonds (distance) P-C4' energy: -77.364 flat angles C4'-P-C4' energy: -87.882 flat angles P-C4'-P energy: -59.426 tors. eta vs tors. theta energy: -123.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -1266.798962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.798962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.798962 (E_RNA) where: Base-Base interactions energy: -846.349 where: short stacking energy: -384.974 Base-Backbone interact. energy: -0.889 local terms energy: -419.560370 where: bonds (distance) C4'-P energy: -78.589 bonds (distance) P-C4' energy: -84.091 flat angles C4'-P-C4' energy: -82.165 flat angles P-C4'-P energy: -63.446 tors. eta vs tors. theta energy: -111.269 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: 3, replica: 8 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -1223.004224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.004224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.004224 (E_RNA) where: Base-Base interactions energy: -831.567 where: short stacking energy: -334.051 Base-Backbone interact. energy: -4.752 local terms energy: -386.684981 where: bonds (distance) C4'-P energy: -74.210 bonds (distance) P-C4' energy: -69.623 flat angles C4'-P-C4' energy: -89.698 flat angles P-C4'-P energy: -61.781 tors. eta vs tors. theta energy: -91.373 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: 173 Temperature: 1.050000 Total energy: -1189.285214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.285214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.285214 (E_RNA) where: Base-Base interactions energy: -788.036 where: short stacking energy: -351.809 Base-Backbone interact. energy: -1.554 local terms energy: -399.695424 where: bonds (distance) C4'-P energy: -57.482 bonds (distance) P-C4' energy: -84.220 flat angles C4'-P-C4' energy: -89.480 flat angles P-C4'-P energy: -60.198 tors. eta vs tors. theta energy: -108.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -1090.876891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.876891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.876891 (E_RNA) where: Base-Base interactions energy: -705.520 where: short stacking energy: -327.966 Base-Backbone interact. energy: -1.899 local terms energy: -383.457668 where: bonds (distance) C4'-P energy: -74.676 bonds (distance) P-C4' energy: -81.291 flat angles C4'-P-C4' energy: -81.617 flat angles P-C4'-P energy: -53.366 tors. eta vs tors. theta energy: -92.508 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: 6 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -975.919228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.919228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.919228 (E_RNA) where: Base-Base interactions energy: -636.005 where: short stacking energy: -283.278 Base-Backbone interact. energy: -0.082 local terms energy: -339.831913 where: bonds (distance) C4'-P energy: -61.813 bonds (distance) P-C4' energy: -76.212 flat angles C4'-P-C4' energy: -82.973 flat angles P-C4'-P energy: -43.459 tors. eta vs tors. theta energy: -75.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -807.343362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.343362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.343362 (E_RNA) where: Base-Base interactions energy: -499.733 where: short stacking energy: -229.430 Base-Backbone interact. energy: 1.288 local terms energy: -308.897507 where: bonds (distance) C4'-P energy: -71.962 bonds (distance) P-C4' energy: -76.107 flat angles C4'-P-C4' energy: -79.750 flat angles P-C4'-P energy: -41.831 tors. eta vs tors. theta energy: -39.248 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: 8, replica: 2 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -692.363262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.363262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.363262 (E_RNA) where: Base-Base interactions energy: -405.223 where: short stacking energy: -191.905 Base-Backbone interact. energy: -1.814 local terms energy: -285.325843 where: bonds (distance) C4'-P energy: -63.904 bonds (distance) P-C4' energy: -67.925 flat angles C4'-P-C4' energy: -63.882 flat angles P-C4'-P energy: -43.721 tors. eta vs tors. theta energy: -45.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -370.772846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.772846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.772846 (E_RNA) where: Base-Base interactions energy: -128.082 where: short stacking energy: -117.899 Base-Backbone interact. energy: 1.328 local terms energy: -244.019341 where: bonds (distance) C4'-P energy: -62.590 bonds (distance) P-C4' energy: -69.515 flat angles C4'-P-C4' energy: -58.663 flat angles P-C4'-P energy: -42.708 tors. eta vs tors. theta energy: -10.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -332.038483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.038483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.038483 (E_RNA) where: Base-Base interactions energy: -101.868 where: short stacking energy: -96.922 Base-Backbone interact. energy: 5.616 local terms energy: -235.785849 where: bonds (distance) C4'-P energy: -76.575 bonds (distance) P-C4' energy: -74.414 flat angles C4'-P-C4' energy: -50.461 flat angles P-C4'-P energy: -52.293 tors. eta vs tors. theta energy: 17.957 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: 3 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -1386.377736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.377736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.377736 (E_RNA) where: Base-Base interactions energy: -949.020 where: short stacking energy: -414.975 Base-Backbone interact. energy: -2.791 local terms energy: -434.566735 where: bonds (distance) C4'-P energy: -89.759 bonds (distance) P-C4' energy: -86.954 flat angles C4'-P-C4' energy: -87.880 flat angles P-C4'-P energy: -53.867 tors. eta vs tors. theta energy: -116.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -1302.404768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.404768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.404768 (E_RNA) where: Base-Base interactions energy: -869.430 where: short stacking energy: -383.841 Base-Backbone interact. energy: -2.603 local terms energy: -430.371681 where: bonds (distance) C4'-P energy: -80.735 bonds (distance) P-C4' energy: -86.123 flat angles C4'-P-C4' energy: -94.667 flat angles P-C4'-P energy: -56.814 tors. eta vs tors. theta energy: -112.032 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: 1 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -1243.686163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.686163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.686163 (E_RNA) where: Base-Base interactions energy: -824.215 where: short stacking energy: -346.760 Base-Backbone interact. energy: -2.992 local terms energy: -416.478249 where: bonds (distance) C4'-P energy: -79.599 bonds (distance) P-C4' energy: -84.671 flat angles C4'-P-C4' energy: -82.055 flat angles P-C4'-P energy: -63.533 tors. eta vs tors. theta energy: -106.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -1217.295758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.295758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.295758 (E_RNA) where: Base-Base interactions energy: -845.837 where: short stacking energy: -343.998 Base-Backbone interact. energy: -0.320 local terms energy: -371.139144 where: bonds (distance) C4'-P energy: -73.509 bonds (distance) P-C4' energy: -73.038 flat angles C4'-P-C4' energy: -79.766 flat angles P-C4'-P energy: -55.999 tors. eta vs tors. theta energy: -88.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -1060.087187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.087187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.087187 (E_RNA) where: Base-Base interactions energy: -680.104 where: short stacking energy: -321.031 Base-Backbone interact. energy: 2.916 local terms energy: -382.899679 where: bonds (distance) C4'-P energy: -80.461 bonds (distance) P-C4' energy: -74.024 flat angles C4'-P-C4' energy: -81.229 flat angles P-C4'-P energy: -57.213 tors. eta vs tors. theta energy: -89.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -961.060696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.060696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.060696 (E_RNA) where: Base-Base interactions energy: -606.673 where: short stacking energy: -268.860 Base-Backbone interact. energy: -0.856 local terms energy: -353.531671 where: bonds (distance) C4'-P energy: -87.665 bonds (distance) P-C4' energy: -69.406 flat angles C4'-P-C4' energy: -76.202 flat angles P-C4'-P energy: -50.078 tors. eta vs tors. theta energy: -70.181 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: 174 Temperature: 1.200000 Total energy: -904.313522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.313522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.313522 (E_RNA) where: Base-Base interactions energy: -573.064 where: short stacking energy: -278.161 Base-Backbone interact. energy: 2.429 local terms energy: -333.677823 where: bonds (distance) C4'-P energy: -69.341 bonds (distance) P-C4' energy: -83.174 flat angles C4'-P-C4' energy: -74.286 flat angles P-C4'-P energy: -29.615 tors. eta vs tors. theta energy: -77.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -670.995382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.995382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.995382 (E_RNA) where: Base-Base interactions energy: -411.527 where: short stacking energy: -211.298 Base-Backbone interact. energy: 2.939 local terms energy: -262.407787 where: bonds (distance) C4'-P energy: -62.814 bonds (distance) P-C4' energy: -72.907 flat angles C4'-P-C4' energy: -52.989 flat angles P-C4'-P energy: -35.056 tors. eta vs tors. theta energy: -38.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -357.952536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.952536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.952536 (E_RNA) where: Base-Base interactions energy: -127.157 where: short stacking energy: -101.412 Base-Backbone interact. energy: 1.597 local terms energy: -232.392203 where: bonds (distance) C4'-P energy: -73.798 bonds (distance) P-C4' energy: -72.018 flat angles C4'-P-C4' energy: -62.055 flat angles P-C4'-P energy: -32.320 tors. eta vs tors. theta energy: 7.799 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: 4 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -355.709809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.709809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.709809 (E_RNA) where: Base-Base interactions energy: -122.271 where: short stacking energy: -116.879 Base-Backbone interact. energy: -2.124 local terms energy: -231.314540 where: bonds (distance) C4'-P energy: -58.311 bonds (distance) P-C4' energy: -81.731 flat angles C4'-P-C4' energy: -56.313 flat angles P-C4'-P energy: -33.186 tors. eta vs tors. theta energy: -1.772 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: 3 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -1361.819907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.819907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.819907 (E_RNA) where: Base-Base interactions energy: -936.655 where: short stacking energy: -391.366 Base-Backbone interact. energy: -2.972 local terms energy: -422.193307 where: bonds (distance) C4'-P energy: -80.974 bonds (distance) P-C4' energy: -84.439 flat angles C4'-P-C4' energy: -81.193 flat angles P-C4'-P energy: -58.631 tors. eta vs tors. theta energy: -116.956 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: 9 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -1262.672197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.672197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.672197 (E_RNA) where: Base-Base interactions energy: -829.406 where: short stacking energy: -369.808 Base-Backbone interact. energy: 0.681 local terms energy: -433.947088 where: bonds (distance) C4'-P energy: -87.030 bonds (distance) P-C4' energy: -78.932 flat angles C4'-P-C4' energy: -97.012 flat angles P-C4'-P energy: -60.499 tors. eta vs tors. theta energy: -110.474 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: 1 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -1247.638583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.638583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.638583 (E_RNA) where: Base-Base interactions energy: -840.265 where: short stacking energy: -373.539 Base-Backbone interact. energy: -1.824 local terms energy: -405.549678 where: bonds (distance) C4'-P energy: -68.066 bonds (distance) P-C4' energy: -85.530 flat angles C4'-P-C4' energy: -86.890 flat angles P-C4'-P energy: -62.706 tors. eta vs tors. theta energy: -102.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -1213.791120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.791120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.791120 (E_RNA) where: Base-Base interactions energy: -841.908 where: short stacking energy: -353.171 Base-Backbone interact. energy: -0.431 local terms energy: -371.452884 where: bonds (distance) C4'-P energy: -68.817 bonds (distance) P-C4' energy: -62.560 flat angles C4'-P-C4' energy: -96.966 flat angles P-C4'-P energy: -52.901 tors. eta vs tors. theta energy: -90.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -1039.221787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.221787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.221787 (E_RNA) where: Base-Base interactions energy: -676.090 where: short stacking energy: -303.818 Base-Backbone interact. energy: -0.899 local terms energy: -362.233073 where: bonds (distance) C4'-P energy: -66.409 bonds (distance) P-C4' energy: -80.397 flat angles C4'-P-C4' energy: -82.513 flat angles P-C4'-P energy: -51.258 tors. eta vs tors. theta energy: -81.656 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: 7 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -946.827852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.827852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.827852 (E_RNA) where: Base-Base interactions energy: -596.849 where: short stacking energy: -258.977 Base-Backbone interact. energy: -0.632 local terms energy: -349.347178 where: bonds (distance) C4'-P energy: -68.359 bonds (distance) P-C4' energy: -73.496 flat angles C4'-P-C4' energy: -88.096 flat angles P-C4'-P energy: -54.525 tors. eta vs tors. theta energy: -64.871 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: 6 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -880.365148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.365148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.365148 (E_RNA) where: Base-Base interactions energy: -578.334 where: short stacking energy: -274.457 Base-Backbone interact. energy: 2.264 local terms energy: -304.295024 where: bonds (distance) C4'-P energy: -57.515 bonds (distance) P-C4' energy: -58.376 flat angles C4'-P-C4' energy: -74.027 flat angles P-C4'-P energy: -44.699 tors. eta vs tors. theta energy: -69.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -695.337407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.337407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.337407 (E_RNA) where: Base-Base interactions energy: -410.391 where: short stacking energy: -212.206 Base-Backbone interact. energy: -1.951 local terms energy: -282.996277 where: bonds (distance) C4'-P energy: -71.724 bonds (distance) P-C4' energy: -82.600 flat angles C4'-P-C4' energy: -55.522 flat angles P-C4'-P energy: -34.364 tors. eta vs tors. theta energy: -38.786 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: 10 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -347.205849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.205849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.205849 (E_RNA) where: Base-Base interactions energy: -118.668 where: short stacking energy: -112.686 Base-Backbone interact. energy: -1.655 local terms energy: -226.882830 where: bonds (distance) C4'-P energy: -63.142 bonds (distance) P-C4' energy: -72.785 flat angles C4'-P-C4' energy: -63.302 flat angles P-C4'-P energy: -31.009 tors. eta vs tors. theta energy: 3.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -315.162817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.162817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.162817 (E_RNA) where: Base-Base interactions energy: -91.834 where: short stacking energy: -81.137 Base-Backbone interact. energy: -2.810 local terms energy: -220.519354 where: bonds (distance) C4'-P energy: -61.565 bonds (distance) P-C4' energy: -70.459 flat angles C4'-P-C4' energy: -65.574 flat angles P-C4'-P energy: -32.698 tors. eta vs tors. theta energy: 9.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -1381.255630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.255630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.255630 (E_RNA) where: Base-Base interactions energy: -939.256 where: short stacking energy: -398.936 Base-Backbone interact. energy: -2.997 local terms energy: -439.002239 where: bonds (distance) C4'-P energy: -75.547 bonds (distance) P-C4' energy: -89.781 flat angles C4'-P-C4' energy: -91.776 flat angles P-C4'-P energy: -58.703 tors. eta vs tors. theta energy: -123.195 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: 9 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -1263.780292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.780292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.780292 (E_RNA) where: Base-Base interactions energy: -846.227 where: short stacking energy: -405.232 Base-Backbone interact. energy: -1.218 local terms energy: -416.335775 where: bonds (distance) C4'-P energy: -74.730 bonds (distance) P-C4' energy: -76.240 flat angles C4'-P-C4' energy: -87.214 flat angles P-C4'-P energy: -59.884 tors. eta vs tors. theta energy: -118.269 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: 3, replica: 8 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -1237.889141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.889141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.889141 (E_RNA) where: Base-Base interactions energy: -854.456 where: short stacking energy: -346.296 Base-Backbone interact. energy: 0.339 local terms energy: -383.771976 where: bonds (distance) C4'-P energy: -80.478 bonds (distance) P-C4' energy: -81.854 flat angles C4'-P-C4' energy: -73.153 flat angles P-C4'-P energy: -56.913 tors. eta vs tors. theta energy: -91.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -1215.400940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.400940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.400940 (E_RNA) where: Base-Base interactions energy: -832.990 where: short stacking energy: -343.002 Base-Backbone interact. energy: -1.553 local terms energy: -380.857549 where: bonds (distance) C4'-P energy: -75.744 bonds (distance) P-C4' energy: -66.318 flat angles C4'-P-C4' energy: -85.479 flat angles P-C4'-P energy: -51.290 tors. eta vs tors. theta energy: -102.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -1082.935826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.935826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.935826 (E_RNA) where: Base-Base interactions energy: -722.480 where: short stacking energy: -342.253 Base-Backbone interact. energy: -1.344 local terms energy: -359.112039 where: bonds (distance) C4'-P energy: -72.370 bonds (distance) P-C4' energy: -58.587 flat angles C4'-P-C4' energy: -86.702 flat angles P-C4'-P energy: -53.799 tors. eta vs tors. theta energy: -87.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -939.810781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.810781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.810781 (E_RNA) where: Base-Base interactions energy: -588.773 where: short stacking energy: -290.102 Base-Backbone interact. energy: -0.667 local terms energy: -350.370527 where: bonds (distance) C4'-P energy: -71.102 bonds (distance) P-C4' energy: -76.239 flat angles C4'-P-C4' energy: -81.222 flat angles P-C4'-P energy: -50.332 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: 6 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -815.384922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.384922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.384922 (E_RNA) where: Base-Base interactions energy: -500.862 where: short stacking energy: -235.108 Base-Backbone interact. energy: -0.771 local terms energy: -313.751408 where: bonds (distance) C4'-P energy: -71.833 bonds (distance) P-C4' energy: -87.510 flat angles C4'-P-C4' energy: -66.616 flat angles P-C4'-P energy: -51.136 tors. eta vs tors. theta energy: -36.656 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: 2 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -656.659976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.659976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.659976 (E_RNA) where: Base-Base interactions energy: -378.829 where: short stacking energy: -180.341 Base-Backbone interact. energy: -1.755 local terms energy: -276.075358 where: bonds (distance) C4'-P energy: -62.818 bonds (distance) P-C4' energy: -74.631 flat angles C4'-P-C4' energy: -72.366 flat angles P-C4'-P energy: -39.057 tors. eta vs tors. theta energy: -27.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -324.200309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.200309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.200309 (E_RNA) where: Base-Base interactions energy: -111.527 where: short stacking energy: -92.123 Base-Backbone interact. energy: 0.198 local terms energy: -212.870573 where: bonds (distance) C4'-P energy: -65.717 bonds (distance) P-C4' energy: -66.566 flat angles C4'-P-C4' energy: -69.136 flat angles P-C4'-P energy: -26.566 tors. eta vs tors. theta energy: 15.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -330.641336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.641336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.641336 (E_RNA) where: Base-Base interactions energy: -105.029 where: short stacking energy: -97.193 Base-Backbone interact. energy: 0.379 local terms energy: -225.991550 where: bonds (distance) C4'-P energy: -51.166 bonds (distance) P-C4' energy: -78.560 flat angles C4'-P-C4' energy: -64.737 flat angles P-C4'-P energy: -35.538 tors. eta vs tors. theta energy: 4.009 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: 3 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -1369.261090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.261090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.261090 (E_RNA) where: Base-Base interactions energy: -942.738 where: short stacking energy: -419.590 Base-Backbone interact. energy: -1.813 local terms energy: -424.709897 where: bonds (distance) C4'-P energy: -76.691 bonds (distance) P-C4' energy: -79.185 flat angles C4'-P-C4' energy: -91.388 flat angles P-C4'-P energy: -61.060 tors. eta vs tors. theta energy: -116.385 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: 8 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -1295.186723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.186723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.186723 (E_RNA) where: Base-Base interactions energy: -900.190 where: short stacking energy: -379.127 Base-Backbone interact. energy: 0.301 local terms energy: -395.297364 where: bonds (distance) C4'-P energy: -69.708 bonds (distance) P-C4' energy: -80.628 flat angles C4'-P-C4' energy: -88.442 flat angles P-C4'-P energy: -57.567 tors. eta vs tors. theta energy: -98.951 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: 9 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -1227.265201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.265201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.265201 (E_RNA) where: Base-Base interactions energy: -810.331 where: short stacking energy: -378.170 Base-Backbone interact. energy: -0.397 local terms energy: -416.536745 where: bonds (distance) C4'-P energy: -66.802 bonds (distance) P-C4' energy: -76.730 flat angles C4'-P-C4' energy: -93.923 flat angles P-C4'-P energy: -54.424 tors. eta vs tors. theta energy: -124.657 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: 1 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -1213.762261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.762261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.762261 (E_RNA) where: Base-Base interactions energy: -809.498 where: short stacking energy: -369.160 Base-Backbone interact. energy: 1.766 local terms energy: -406.029540 where: bonds (distance) C4'-P energy: -82.554 bonds (distance) P-C4' energy: -74.786 flat angles C4'-P-C4' energy: -93.159 flat angles P-C4'-P energy: -48.591 tors. eta vs tors. theta energy: -106.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -1077.907868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.907868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.907868 (E_RNA) where: Base-Base interactions energy: -698.332 where: short stacking energy: -316.300 Base-Backbone interact. energy: -2.546 local terms energy: -377.029420 where: bonds (distance) C4'-P energy: -65.083 bonds (distance) P-C4' energy: -80.356 flat angles C4'-P-C4' energy: -77.381 flat angles P-C4'-P energy: -58.756 tors. eta vs tors. theta energy: -95.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -936.712899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.712899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.712899 (E_RNA) where: Base-Base interactions energy: -581.646 where: short stacking energy: -279.307 Base-Backbone interact. energy: 0.180 local terms energy: -355.247032 where: bonds (distance) C4'-P energy: -88.434 bonds (distance) P-C4' energy: -73.342 flat angles C4'-P-C4' energy: -84.331 flat angles P-C4'-P energy: -47.237 tors. eta vs tors. theta energy: -61.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -794.946245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.946245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.946245 (E_RNA) where: Base-Base interactions energy: -493.805 where: short stacking energy: -213.754 Base-Backbone interact. energy: -2.340 local terms energy: -298.800754 where: bonds (distance) C4'-P energy: -64.110 bonds (distance) P-C4' energy: -73.671 flat angles C4'-P-C4' energy: -77.455 flat angles P-C4'-P energy: -37.394 tors. eta vs tors. theta energy: -46.170 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: 2 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -683.653925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.653925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.653925 (E_RNA) where: Base-Base interactions energy: -388.250 where: short stacking energy: -176.653 Base-Backbone interact. energy: -1.140 local terms energy: -294.263644 where: bonds (distance) C4'-P energy: -69.234 bonds (distance) P-C4' energy: -66.199 flat angles C4'-P-C4' energy: -79.520 flat angles P-C4'-P energy: -59.892 tors. eta vs tors. theta energy: -19.418 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: 10 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -358.089514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.089514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.089514 (E_RNA) where: Base-Base interactions energy: -122.654 where: short stacking energy: -102.856 Base-Backbone interact. energy: -0.674 local terms energy: -234.761306 where: bonds (distance) C4'-P energy: -68.907 bonds (distance) P-C4' energy: -71.746 flat angles C4'-P-C4' energy: -64.195 flat angles P-C4'-P energy: -37.205 tors. eta vs tors. theta energy: 7.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -329.851541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.851541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.851541 (E_RNA) where: Base-Base interactions energy: -101.054 where: short stacking energy: -99.460 Base-Backbone interact. energy: 3.766 local terms energy: -232.563190 where: bonds (distance) C4'-P energy: -60.411 bonds (distance) P-C4' energy: -72.512 flat angles C4'-P-C4' energy: -72.387 flat angles P-C4'-P energy: -26.071 tors. eta vs tors. theta energy: -1.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -1349.550525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.550525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.550525 (E_RNA) where: Base-Base interactions energy: -924.312 where: short stacking energy: -384.923 Base-Backbone interact. energy: 2.006 local terms energy: -427.244170 where: bonds (distance) C4'-P energy: -80.002 bonds (distance) P-C4' energy: -74.292 flat angles C4'-P-C4' energy: -90.052 flat angles P-C4'-P energy: -67.804 tors. eta vs tors. theta energy: -115.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -1300.003069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.003069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.003069 (E_RNA) where: Base-Base interactions energy: -899.146 where: short stacking energy: -351.794 Base-Backbone interact. energy: 2.539 local terms energy: -403.395915 where: bonds (distance) C4'-P energy: -80.747 bonds (distance) P-C4' energy: -83.953 flat angles C4'-P-C4' energy: -83.033 flat angles P-C4'-P energy: -56.842 tors. eta vs tors. theta energy: -98.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -1196.057516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.057516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.057516 (E_RNA) where: Base-Base interactions energy: -793.749 where: short stacking energy: -381.345 Base-Backbone interact. energy: 1.707 local terms energy: -404.015020 where: bonds (distance) C4'-P energy: -70.990 bonds (distance) P-C4' energy: -73.433 flat angles C4'-P-C4' energy: -89.617 flat angles P-C4'-P energy: -56.734 tors. eta vs tors. theta energy: -113.240 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: 1 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -1214.521004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.521004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.521004 (E_RNA) where: Base-Base interactions energy: -802.581 where: short stacking energy: -355.997 Base-Backbone interact. energy: 0.666 local terms energy: -412.606563 where: bonds (distance) C4'-P energy: -82.060 bonds (distance) P-C4' energy: -77.444 flat angles C4'-P-C4' energy: -81.986 flat angles P-C4'-P energy: -61.548 tors. eta vs tors. theta energy: -109.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -1113.018788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.018788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.018788 (E_RNA) where: Base-Base interactions energy: -747.206 where: short stacking energy: -329.066 Base-Backbone interact. energy: -1.764 local terms energy: -364.048007 where: bonds (distance) C4'-P energy: -73.233 bonds (distance) P-C4' energy: -67.555 flat angles C4'-P-C4' energy: -89.007 flat angles P-C4'-P energy: -42.776 tors. eta vs tors. theta energy: -91.477 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: 178 Temperature: 1.150000 Total energy: -930.606555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.606555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.606555 (E_RNA) where: Base-Base interactions energy: -604.619 where: short stacking energy: -280.731 Base-Backbone interact. energy: -1.490 local terms energy: -324.497886 where: bonds (distance) C4'-P energy: -62.638 bonds (distance) P-C4' energy: -68.608 flat angles C4'-P-C4' energy: -78.922 flat angles P-C4'-P energy: -49.594 tors. eta vs tors. theta energy: -64.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -812.642238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.642238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.642238 (E_RNA) where: Base-Base interactions energy: -494.862 where: short stacking energy: -223.077 Base-Backbone interact. energy: -1.328 local terms energy: -316.452261 where: bonds (distance) C4'-P energy: -67.500 bonds (distance) P-C4' energy: -67.791 flat angles C4'-P-C4' energy: -79.693 flat angles P-C4'-P energy: -50.791 tors. eta vs tors. theta energy: -50.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -671.366151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.366151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.366151 (E_RNA) where: Base-Base interactions energy: -387.503 where: short stacking energy: -206.040 Base-Backbone interact. energy: 0.797 local terms energy: -284.660049 where: bonds (distance) C4'-P energy: -65.372 bonds (distance) P-C4' energy: -60.615 flat angles C4'-P-C4' energy: -69.892 flat angles P-C4'-P energy: -52.692 tors. eta vs tors. theta energy: -36.089 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: 10 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -382.955733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.955733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.955733 (E_RNA) where: Base-Base interactions energy: -167.611 where: short stacking energy: -125.689 Base-Backbone interact. energy: 1.699 local terms energy: -217.043704 where: bonds (distance) C4'-P energy: -64.563 bonds (distance) P-C4' energy: -74.797 flat angles C4'-P-C4' energy: -55.024 flat angles P-C4'-P energy: -15.687 tors. eta vs tors. theta energy: -6.973 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: 4 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -335.802661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.802661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.802661 (E_RNA) where: Base-Base interactions energy: -99.153 where: short stacking energy: -97.250 Base-Backbone interact. energy: 2.110 local terms energy: -238.759454 where: bonds (distance) C4'-P energy: -71.164 bonds (distance) P-C4' energy: -73.620 flat angles C4'-P-C4' energy: -52.047 flat angles P-C4'-P energy: -37.432 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: 1, replica: 3 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -1363.312069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.312069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.312069 (E_RNA) where: Base-Base interactions energy: -943.326 where: short stacking energy: -403.755 Base-Backbone interact. energy: -3.300 local terms energy: -416.686445 where: bonds (distance) C4'-P energy: -76.973 bonds (distance) P-C4' energy: -87.884 flat angles C4'-P-C4' energy: -81.816 flat angles P-C4'-P energy: -54.560 tors. eta vs tors. theta energy: -115.452 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: 2, replica: 8 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -1314.064729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.064729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.064729 (E_RNA) where: Base-Base interactions energy: -924.085 where: short stacking energy: -372.658 Base-Backbone interact. energy: -4.639 local terms energy: -385.340901 where: bonds (distance) C4'-P energy: -68.277 bonds (distance) P-C4' energy: -67.359 flat angles C4'-P-C4' energy: -91.466 flat angles P-C4'-P energy: -58.846 tors. eta vs tors. theta energy: -99.393 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: 179 Temperature: 1.000000 Total energy: -1183.734329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.734329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.734329 (E_RNA) where: Base-Base interactions energy: -785.094 where: short stacking energy: -350.350 Base-Backbone interact. energy: -0.734 local terms energy: -397.906332 where: bonds (distance) C4'-P energy: -68.225 bonds (distance) P-C4' energy: -86.994 flat angles C4'-P-C4' energy: -87.399 flat angles P-C4'-P energy: -53.479 tors. eta vs tors. theta energy: -101.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -1189.613981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.613981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.613981 (E_RNA) where: Base-Base interactions energy: -808.761 where: short stacking energy: -329.613 Base-Backbone interact. energy: -0.618 local terms energy: -380.234786 where: bonds (distance) C4'-P energy: -82.633 bonds (distance) P-C4' energy: -63.823 flat angles C4'-P-C4' energy: -79.156 flat angles P-C4'-P energy: -57.564 tors. eta vs tors. theta energy: -97.058 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: 5 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -1164.484095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.484095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.484095 (E_RNA) where: Base-Base interactions energy: -787.678 where: short stacking energy: -325.716 Base-Backbone interact. energy: -0.010 local terms energy: -376.795909 where: bonds (distance) C4'-P energy: -76.520 bonds (distance) P-C4' energy: -70.899 flat angles C4'-P-C4' energy: -80.796 flat angles P-C4'-P energy: -56.254 tors. eta vs tors. theta energy: -92.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -925.924014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.924014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.924014 (E_RNA) where: Base-Base interactions energy: -582.545 where: short stacking energy: -247.588 Base-Backbone interact. energy: 3.078 local terms energy: -346.456687 where: bonds (distance) C4'-P energy: -67.569 bonds (distance) P-C4' energy: -78.683 flat angles C4'-P-C4' energy: -80.990 flat angles P-C4'-P energy: -68.210 tors. eta vs tors. theta energy: -51.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -768.236026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.236026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.236026 (E_RNA) where: Base-Base interactions energy: -466.469 where: short stacking energy: -227.420 Base-Backbone interact. energy: -1.535 local terms energy: -300.231878 where: bonds (distance) C4'-P energy: -59.943 bonds (distance) P-C4' energy: -66.041 flat angles C4'-P-C4' energy: -78.525 flat angles P-C4'-P energy: -48.075 tors. eta vs tors. theta energy: -47.648 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: 8, replica: 2 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -706.419459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.419459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.419459 (E_RNA) where: Base-Base interactions energy: -434.804 where: short stacking energy: -197.500 Base-Backbone interact. energy: -0.691 local terms energy: -270.924187 where: bonds (distance) C4'-P energy: -63.010 bonds (distance) P-C4' energy: -73.864 flat angles C4'-P-C4' energy: -61.465 flat angles P-C4'-P energy: -41.437 tors. eta vs tors. theta energy: -31.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -360.983850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.983850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.983850 (E_RNA) where: Base-Base interactions energy: -149.947 where: short stacking energy: -121.903 Base-Backbone interact. energy: -1.312 local terms energy: -209.725070 where: bonds (distance) C4'-P energy: -63.744 bonds (distance) P-C4' energy: -66.037 flat angles C4'-P-C4' energy: -51.131 flat angles P-C4'-P energy: -22.429 tors. eta vs tors. theta energy: -6.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -339.203008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.203008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.203008 (E_RNA) where: Base-Base interactions energy: -114.158 where: short stacking energy: -104.527 Base-Backbone interact. energy: 0.277 local terms energy: -225.322467 where: bonds (distance) C4'-P energy: -47.270 bonds (distance) P-C4' energy: -76.563 flat angles C4'-P-C4' energy: -60.869 flat angles P-C4'-P energy: -43.209 tors. eta vs tors. theta energy: 2.589 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: 180 Temperature: 0.900000 Total energy: -1365.230740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.230740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.230740 (E_RNA) where: Base-Base interactions energy: -941.693 where: short stacking energy: -400.049 Base-Backbone interact. energy: 1.396 local terms energy: -424.933352 where: bonds (distance) C4'-P energy: -75.890 bonds (distance) P-C4' energy: -79.114 flat angles C4'-P-C4' energy: -87.503 flat angles P-C4'-P energy: -63.244 tors. eta vs tors. theta energy: -119.183 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: 8 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -1275.606652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.606652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.606652 (E_RNA) where: Base-Base interactions energy: -884.915 where: short stacking energy: -371.038 Base-Backbone interact. energy: -4.318 local terms energy: -386.373570 where: bonds (distance) C4'-P energy: -73.302 bonds (distance) P-C4' energy: -78.984 flat angles C4'-P-C4' energy: -88.356 flat angles P-C4'-P energy: -50.590 tors. eta vs tors. theta energy: -95.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -1219.994967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.994967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.994967 (E_RNA) where: Base-Base interactions energy: -795.753 where: short stacking energy: -377.203 Base-Backbone interact. energy: -2.327 local terms energy: -421.914738 where: bonds (distance) C4'-P energy: -84.790 bonds (distance) P-C4' energy: -82.874 flat angles C4'-P-C4' energy: -81.368 flat angles P-C4'-P energy: -55.597 tors. eta vs tors. theta energy: -117.286 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: 1 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -1168.044926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.044926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.044926 (E_RNA) where: Base-Base interactions energy: -790.027 where: short stacking energy: -338.028 Base-Backbone interact. energy: -2.323 local terms energy: -375.694666 where: bonds (distance) C4'-P energy: -54.823 bonds (distance) P-C4' energy: -87.404 flat angles C4'-P-C4' energy: -89.594 flat angles P-C4'-P energy: -47.544 tors. eta vs tors. theta energy: -96.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -1145.553799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.553799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.553799 (E_RNA) where: Base-Base interactions energy: -774.670 where: short stacking energy: -329.206 Base-Backbone interact. energy: -1.963 local terms energy: -368.920549 where: bonds (distance) C4'-P energy: -75.463 bonds (distance) P-C4' energy: -79.204 flat angles C4'-P-C4' energy: -77.448 flat angles P-C4'-P energy: -44.275 tors. eta vs tors. theta energy: -92.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -962.868234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.868234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.868234 (E_RNA) where: Base-Base interactions energy: -626.278 where: short stacking energy: -287.698 Base-Backbone interact. energy: -1.282 local terms energy: -335.307918 where: bonds (distance) C4'-P energy: -66.629 bonds (distance) P-C4' energy: -73.906 flat angles C4'-P-C4' energy: -75.728 flat angles P-C4'-P energy: -37.781 tors. eta vs tors. theta energy: -81.263 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: 2 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -788.168875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.168875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.168875 (E_RNA) where: Base-Base interactions energy: -494.353 where: short stacking energy: -232.997 Base-Backbone interact. energy: 0.136 local terms energy: -293.952540 where: bonds (distance) C4'-P energy: -69.332 bonds (distance) P-C4' energy: -74.682 flat angles C4'-P-C4' energy: -72.456 flat angles P-C4'-P energy: -35.596 tors. eta vs tors. theta energy: -41.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -761.545066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.545066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.545066 (E_RNA) where: Base-Base interactions energy: -490.278 where: short stacking energy: -236.836 Base-Backbone interact. energy: -1.279 local terms energy: -269.987922 where: bonds (distance) C4'-P energy: -72.147 bonds (distance) P-C4' energy: -58.612 flat angles C4'-P-C4' energy: -61.617 flat angles P-C4'-P energy: -30.291 tors. eta vs tors. theta energy: -47.321 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: 4 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -356.522060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.522060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.522060 (E_RNA) where: Base-Base interactions energy: -138.658 where: short stacking energy: -132.903 Base-Backbone interact. energy: 2.526 local terms energy: -220.390268 where: bonds (distance) C4'-P energy: -56.062 bonds (distance) P-C4' energy: -68.542 flat angles C4'-P-C4' energy: -70.706 flat angles P-C4'-P energy: -29.553 tors. eta vs tors. theta energy: 4.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -338.899359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.899359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.899359 (E_RNA) where: Base-Base interactions energy: -121.392 where: short stacking energy: -99.842 Base-Backbone interact. energy: 3.421 local terms energy: -220.928932 where: bonds (distance) C4'-P energy: -71.870 bonds (distance) P-C4' energy: -72.559 flat angles C4'-P-C4' energy: -44.408 flat angles P-C4'-P energy: -46.265 tors. eta vs tors. theta energy: 14.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -1349.897126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.897126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.897126 (E_RNA) where: Base-Base interactions energy: -923.845 where: short stacking energy: -405.803 Base-Backbone interact. energy: 0.842 local terms energy: -426.894142 where: bonds (distance) C4'-P energy: -81.403 bonds (distance) P-C4' energy: -82.435 flat angles C4'-P-C4' energy: -86.164 flat angles P-C4'-P energy: -64.486 tors. eta vs tors. theta energy: -112.407 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: 8 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -1248.658151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.658151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.658151 (E_RNA) where: Base-Base interactions energy: -843.432 where: short stacking energy: -344.657 Base-Backbone interact. energy: -1.662 local terms energy: -403.563453 where: bonds (distance) C4'-P energy: -78.503 bonds (distance) P-C4' energy: -85.449 flat angles C4'-P-C4' energy: -91.856 flat angles P-C4'-P energy: -52.994 tors. eta vs tors. theta energy: -94.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -1212.895440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.895440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.895440 (E_RNA) where: Base-Base interactions energy: -833.255 where: short stacking energy: -379.909 Base-Backbone interact. energy: -1.574 local terms energy: -378.065872 where: bonds (distance) C4'-P energy: -66.782 bonds (distance) P-C4' energy: -79.821 flat angles C4'-P-C4' energy: -80.150 flat angles P-C4'-P energy: -44.556 tors. eta vs tors. theta energy: -106.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -1193.431176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.431176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.431176 (E_RNA) where: Base-Base interactions energy: -804.105 where: short stacking energy: -357.082 Base-Backbone interact. energy: -2.583 local terms energy: -386.743217 where: bonds (distance) C4'-P energy: -72.156 bonds (distance) P-C4' energy: -77.595 flat angles C4'-P-C4' energy: -85.786 flat angles P-C4'-P energy: -55.325 tors. eta vs tors. theta energy: -95.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -1142.161077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.161077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.161077 (E_RNA) where: Base-Base interactions energy: -784.280 where: short stacking energy: -335.515 Base-Backbone interact. energy: -1.663 local terms energy: -356.218347 where: bonds (distance) C4'-P energy: -57.774 bonds (distance) P-C4' energy: -77.740 flat angles C4'-P-C4' energy: -75.362 flat angles P-C4'-P energy: -56.761 tors. eta vs tors. theta energy: -88.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -942.471486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.471486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.471486 (E_RNA) where: Base-Base interactions energy: -630.099 where: short stacking energy: -284.128 Base-Backbone interact. energy: -0.420 local terms energy: -311.952693 where: bonds (distance) C4'-P energy: -59.746 bonds (distance) P-C4' energy: -60.358 flat angles C4'-P-C4' energy: -73.518 flat angles P-C4'-P energy: -46.445 tors. eta vs tors. theta energy: -71.886 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: 2 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -781.360848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.360848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.360848 (E_RNA) where: Base-Base interactions energy: -497.907 where: short stacking energy: -205.173 Base-Backbone interact. energy: 4.548 local terms energy: -288.002064 where: bonds (distance) C4'-P energy: -69.184 bonds (distance) P-C4' energy: -68.091 flat angles C4'-P-C4' energy: -65.513 flat angles P-C4'-P energy: -41.405 tors. eta vs tors. theta energy: -43.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -767.605223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.605223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.605223 (E_RNA) where: Base-Base interactions energy: -460.057 where: short stacking energy: -214.095 Base-Backbone interact. energy: -0.225 local terms energy: -307.323699 where: bonds (distance) C4'-P energy: -67.272 bonds (distance) P-C4' energy: -64.992 flat angles C4'-P-C4' energy: -68.924 flat angles P-C4'-P energy: -57.593 tors. eta vs tors. theta energy: -48.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -340.698493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.698493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.698493 (E_RNA) where: Base-Base interactions energy: -108.562 where: short stacking energy: -101.214 Base-Backbone interact. energy: -1.575 local terms energy: -230.561850 where: bonds (distance) C4'-P energy: -69.390 bonds (distance) P-C4' energy: -66.582 flat angles C4'-P-C4' energy: -59.654 flat angles P-C4'-P energy: -39.530 tors. eta vs tors. theta energy: 4.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -350.392869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.392869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.392869 (E_RNA) where: Base-Base interactions energy: -138.448 where: short stacking energy: -107.553 Base-Backbone interact. energy: 1.471 local terms energy: -213.416326 where: bonds (distance) C4'-P energy: -56.808 bonds (distance) P-C4' energy: -68.552 flat angles C4'-P-C4' energy: -56.100 flat angles P-C4'-P energy: -36.323 tors. eta vs tors. theta energy: 4.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -1353.959919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.959919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.959919 (E_RNA) where: Base-Base interactions energy: -922.825 where: short stacking energy: -389.591 Base-Backbone interact. energy: -2.736 local terms energy: -428.398511 where: bonds (distance) C4'-P energy: -81.364 bonds (distance) P-C4' energy: -79.010 flat angles C4'-P-C4' energy: -99.716 flat angles P-C4'-P energy: -59.471 tors. eta vs tors. theta energy: -108.837 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: 8 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -1262.272913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.272913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.272913 (E_RNA) where: Base-Base interactions energy: -882.237 where: short stacking energy: -372.495 Base-Backbone interact. energy: -3.750 local terms energy: -376.286203 where: bonds (distance) C4'-P energy: -67.665 bonds (distance) P-C4' energy: -78.738 flat angles C4'-P-C4' energy: -87.428 flat angles P-C4'-P energy: -51.080 tors. eta vs tors. theta energy: -91.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -1232.865619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.865619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.865619 (E_RNA) where: Base-Base interactions energy: -814.108 where: short stacking energy: -354.377 Base-Backbone interact. energy: -3.496 local terms energy: -415.261247 where: bonds (distance) C4'-P energy: -88.251 bonds (distance) P-C4' energy: -94.869 flat angles C4'-P-C4' energy: -86.220 flat angles P-C4'-P energy: -46.169 tors. eta vs tors. theta energy: -99.752 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: 9 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -1182.907048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.907048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.907048 (E_RNA) where: Base-Base interactions energy: -794.467 where: short stacking energy: -367.774 Base-Backbone interact. energy: 1.317 local terms energy: -389.756736 where: bonds (distance) C4'-P energy: -73.857 bonds (distance) P-C4' energy: -79.609 flat angles C4'-P-C4' energy: -76.598 flat angles P-C4'-P energy: -59.616 tors. eta vs tors. theta energy: -100.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -1139.221917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.221917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.221917 (E_RNA) where: Base-Base interactions energy: -747.287 where: short stacking energy: -313.093 Base-Backbone interact. energy: 1.350 local terms energy: -393.284511 where: bonds (distance) C4'-P energy: -85.717 bonds (distance) P-C4' energy: -77.119 flat angles C4'-P-C4' energy: -80.634 flat angles P-C4'-P energy: -52.686 tors. eta vs tors. theta energy: -97.128 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: 7 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -911.366211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.366211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.366211 (E_RNA) where: Base-Base interactions energy: -595.150 where: short stacking energy: -269.226 Base-Backbone interact. energy: -1.060 local terms energy: -315.155974 where: bonds (distance) C4'-P energy: -75.535 bonds (distance) P-C4' energy: -66.524 flat angles C4'-P-C4' energy: -65.178 flat angles P-C4'-P energy: -40.310 tors. eta vs tors. theta energy: -67.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -797.409845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.409845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.409845 (E_RNA) where: Base-Base interactions energy: -493.334 where: short stacking energy: -234.583 Base-Backbone interact. energy: -0.606 local terms energy: -303.470043 where: bonds (distance) C4'-P energy: -61.148 bonds (distance) P-C4' energy: -74.627 flat angles C4'-P-C4' energy: -84.325 flat angles P-C4'-P energy: -42.242 tors. eta vs tors. theta energy: -41.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -724.174030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.174030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.174030 (E_RNA) where: Base-Base interactions energy: -434.288 where: short stacking energy: -204.894 Base-Backbone interact. energy: -2.966 local terms energy: -286.920105 where: bonds (distance) C4'-P energy: -75.580 bonds (distance) P-C4' energy: -65.313 flat angles C4'-P-C4' energy: -63.279 flat angles P-C4'-P energy: -37.634 tors. eta vs tors. theta energy: -45.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -356.764796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.764796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.764796 (E_RNA) where: Base-Base interactions energy: -123.683 where: short stacking energy: -112.355 Base-Backbone interact. energy: 1.299 local terms energy: -234.380359 where: bonds (distance) C4'-P energy: -58.774 bonds (distance) P-C4' energy: -77.891 flat angles C4'-P-C4' energy: -55.547 flat angles P-C4'-P energy: -39.348 tors. eta vs tors. theta energy: -2.821 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: 10 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -325.637412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.637412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.637412 (E_RNA) where: Base-Base interactions energy: -124.193 where: short stacking energy: -102.311 Base-Backbone interact. energy: 1.047 local terms energy: -202.491684 where: bonds (distance) C4'-P energy: -56.416 bonds (distance) P-C4' energy: -67.257 flat angles C4'-P-C4' energy: -60.912 flat angles P-C4'-P energy: -26.999 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: 3 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -1353.707694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.707694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.707694 (E_RNA) where: Base-Base interactions energy: -928.703 where: short stacking energy: -367.425 Base-Backbone interact. energy: -1.846 local terms energy: -423.159257 where: bonds (distance) C4'-P energy: -85.186 bonds (distance) P-C4' energy: -77.026 flat angles C4'-P-C4' energy: -86.490 flat angles P-C4'-P energy: -59.386 tors. eta vs tors. theta energy: -115.071 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: 2, replica: 1 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -1339.598362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.598362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.598362 (E_RNA) where: Base-Base interactions energy: -908.631 where: short stacking energy: -397.725 Base-Backbone interact. energy: -0.857 local terms energy: -430.110254 where: bonds (distance) C4'-P energy: -74.744 bonds (distance) P-C4' energy: -79.516 flat angles C4'-P-C4' energy: -97.059 flat angles P-C4'-P energy: -63.041 tors. eta vs tors. theta energy: -115.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -1264.132205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.132205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.132205 (E_RNA) where: Base-Base interactions energy: -871.360 where: short stacking energy: -370.504 Base-Backbone interact. energy: -0.135 local terms energy: -392.636961 where: bonds (distance) C4'-P energy: -76.527 bonds (distance) P-C4' energy: -80.365 flat angles C4'-P-C4' energy: -86.907 flat angles P-C4'-P energy: -55.616 tors. eta vs tors. theta energy: -93.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -1178.185755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.185755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.185755 (E_RNA) where: Base-Base interactions energy: -802.454 where: short stacking energy: -338.762 Base-Backbone interact. energy: -0.832 local terms energy: -374.899313 where: bonds (distance) C4'-P energy: -76.362 bonds (distance) P-C4' energy: -66.631 flat angles C4'-P-C4' energy: -82.823 flat angles P-C4'-P energy: -51.083 tors. eta vs tors. theta energy: -98.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -1174.953893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.953893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.953893 (E_RNA) where: Base-Base interactions energy: -766.135 where: short stacking energy: -336.777 Base-Backbone interact. energy: 0.272 local terms energy: -409.091388 where: bonds (distance) C4'-P energy: -71.910 bonds (distance) P-C4' energy: -86.390 flat angles C4'-P-C4' energy: -97.877 flat angles P-C4'-P energy: -44.553 tors. eta vs tors. theta energy: -108.361 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: 7 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -921.109370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.109370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.109370 (E_RNA) where: Base-Base interactions energy: -591.403 where: short stacking energy: -266.432 Base-Backbone interact. energy: -0.402 local terms energy: -329.303889 where: bonds (distance) C4'-P energy: -58.207 bonds (distance) P-C4' energy: -83.105 flat angles C4'-P-C4' energy: -76.620 flat angles P-C4'-P energy: -40.836 tors. eta vs tors. theta energy: -70.536 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: 183 Temperature: 1.200000 Total energy: -789.011533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.011533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.011533 (E_RNA) where: Base-Base interactions energy: -508.483 where: short stacking energy: -238.780 Base-Backbone interact. energy: 6.665 local terms energy: -287.193944 where: bonds (distance) C4'-P energy: -72.465 bonds (distance) P-C4' energy: -69.450 flat angles C4'-P-C4' energy: -68.012 flat angles P-C4'-P energy: -32.838 tors. eta vs tors. theta energy: -44.428 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: 2 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -709.361914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.361914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.361914 (E_RNA) where: Base-Base interactions energy: -428.989 where: short stacking energy: -194.250 Base-Backbone interact. energy: -0.591 local terms energy: -279.782237 where: bonds (distance) C4'-P energy: -60.569 bonds (distance) P-C4' energy: -71.480 flat angles C4'-P-C4' energy: -67.738 flat angles P-C4'-P energy: -48.126 tors. eta vs tors. theta energy: -31.870 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: 4 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -352.508370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.508370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.508370 (E_RNA) where: Base-Base interactions energy: -141.033 where: short stacking energy: -114.130 Base-Backbone interact. energy: 1.816 local terms energy: -213.291056 where: bonds (distance) C4'-P energy: -68.195 bonds (distance) P-C4' energy: -70.008 flat angles C4'-P-C4' energy: -45.143 flat angles P-C4'-P energy: -47.111 tors. eta vs tors. theta energy: 17.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -323.408159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.408159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.408159 (E_RNA) where: Base-Base interactions energy: -101.191 where: short stacking energy: -87.890 Base-Backbone interact. energy: 1.878 local terms energy: -224.095072 where: bonds (distance) C4'-P energy: -55.655 bonds (distance) P-C4' energy: -76.425 flat angles C4'-P-C4' energy: -63.494 flat angles P-C4'-P energy: -46.200 tors. eta vs tors. theta energy: 17.679 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: 3 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -1354.754087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.754087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.754087 (E_RNA) where: Base-Base interactions energy: -913.226 where: short stacking energy: -363.886 Base-Backbone interact. energy: -2.828 local terms energy: -438.700511 where: bonds (distance) C4'-P energy: -87.131 bonds (distance) P-C4' energy: -70.453 flat angles C4'-P-C4' energy: -94.282 flat angles P-C4'-P energy: -73.648 tors. eta vs tors. theta energy: -113.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -1309.218773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.218773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.218773 (E_RNA) where: Base-Base interactions energy: -895.253 where: short stacking energy: -396.581 Base-Backbone interact. energy: 0.226 local terms energy: -414.191905 where: bonds (distance) C4'-P energy: -68.961 bonds (distance) P-C4' energy: -80.063 flat angles C4'-P-C4' energy: -89.775 flat angles P-C4'-P energy: -64.199 tors. eta vs tors. theta energy: -111.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -1235.284177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.284177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.284177 (E_RNA) where: Base-Base interactions energy: -837.117 where: short stacking energy: -355.106 Base-Backbone interact. energy: 1.503 local terms energy: -399.670842 where: bonds (distance) C4'-P energy: -76.566 bonds (distance) P-C4' energy: -93.603 flat angles C4'-P-C4' energy: -78.437 flat angles P-C4'-P energy: -62.269 tors. eta vs tors. theta energy: -88.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -1199.036022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.036022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.036022 (E_RNA) where: Base-Base interactions energy: -821.901 where: short stacking energy: -387.522 Base-Backbone interact. energy: -1.600 local terms energy: -375.535254 where: bonds (distance) C4'-P energy: -72.393 bonds (distance) P-C4' energy: -55.482 flat angles C4'-P-C4' energy: -86.103 flat angles P-C4'-P energy: -44.791 tors. eta vs tors. theta energy: -116.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -1179.222177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.222177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.222177 (E_RNA) where: Base-Base interactions energy: -807.281 where: short stacking energy: -363.453 Base-Backbone interact. energy: -0.861 local terms energy: -371.080440 where: bonds (distance) C4'-P energy: -68.241 bonds (distance) P-C4' energy: -67.784 flat angles C4'-P-C4' energy: -74.076 flat angles P-C4'-P energy: -48.441 tors. eta vs tors. theta energy: -112.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -908.586946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.586946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.586946 (E_RNA) where: Base-Base interactions energy: -570.122 where: short stacking energy: -248.760 Base-Backbone interact. energy: 0.736 local terms energy: -339.201017 where: bonds (distance) C4'-P energy: -77.096 bonds (distance) P-C4' energy: -69.815 flat angles C4'-P-C4' energy: -71.478 flat angles P-C4'-P energy: -63.100 tors. eta vs tors. theta energy: -57.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -729.322030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.322030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.322030 (E_RNA) where: Base-Base interactions energy: -448.573 where: short stacking energy: -188.253 Base-Backbone interact. energy: -2.260 local terms energy: -278.488953 where: bonds (distance) C4'-P energy: -63.649 bonds (distance) P-C4' energy: -63.565 flat angles C4'-P-C4' energy: -65.585 flat angles P-C4'-P energy: -48.151 tors. eta vs tors. theta energy: -37.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -658.085459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.085459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.085459 (E_RNA) where: Base-Base interactions energy: -396.874 where: short stacking energy: -178.138 Base-Backbone interact. energy: -0.869 local terms energy: -260.342511 where: bonds (distance) C4'-P energy: -65.614 bonds (distance) P-C4' energy: -67.382 flat angles C4'-P-C4' energy: -73.276 flat angles P-C4'-P energy: -34.990 tors. eta vs tors. theta energy: -19.081 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: 4 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -353.561236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.561236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.561236 (E_RNA) where: Base-Base interactions energy: -123.448 where: short stacking energy: -108.229 Base-Backbone interact. energy: 2.080 local terms energy: -232.193665 where: bonds (distance) C4'-P energy: -64.760 bonds (distance) P-C4' energy: -72.633 flat angles C4'-P-C4' energy: -63.314 flat angles P-C4'-P energy: -38.674 tors. eta vs tors. theta energy: 7.187 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: 10, replica: 10 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -327.947888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.947888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.947888 (E_RNA) where: Base-Base interactions energy: -97.243 where: short stacking energy: -88.575 Base-Backbone interact. energy: 0.483 local terms energy: -231.187957 where: bonds (distance) C4'-P energy: -64.667 bonds (distance) P-C4' energy: -64.850 flat angles C4'-P-C4' energy: -56.856 flat angles P-C4'-P energy: -44.049 tors. eta vs tors. theta energy: -0.766 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: 1, replica: 3 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -1358.929422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.929422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.929422 (E_RNA) where: Base-Base interactions energy: -939.822 where: short stacking energy: -402.601 Base-Backbone interact. energy: -1.887 local terms energy: -417.220368 where: bonds (distance) C4'-P energy: -77.827 bonds (distance) P-C4' energy: -73.506 flat angles C4'-P-C4' energy: -96.127 flat angles P-C4'-P energy: -57.666 tors. eta vs tors. theta energy: -112.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -1288.962206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.962206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.962206 (E_RNA) where: Base-Base interactions energy: -882.720 where: short stacking energy: -386.090 Base-Backbone interact. energy: -1.322 local terms energy: -404.919935 where: bonds (distance) C4'-P energy: -67.176 bonds (distance) P-C4' energy: -77.075 flat angles C4'-P-C4' energy: -88.069 flat angles P-C4'-P energy: -58.811 tors. eta vs tors. theta energy: -113.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -1219.173145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.173145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.173145 (E_RNA) where: Base-Base interactions energy: -849.267 where: short stacking energy: -336.481 Base-Backbone interact. energy: -0.285 local terms energy: -369.620687 where: bonds (distance) C4'-P energy: -70.635 bonds (distance) P-C4' energy: -76.522 flat angles C4'-P-C4' energy: -77.374 flat angles P-C4'-P energy: -54.779 tors. eta vs tors. theta energy: -90.310 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: 9 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -1180.351771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.351771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.351771 (E_RNA) where: Base-Base interactions energy: -810.579 where: short stacking energy: -352.669 Base-Backbone interact. energy: -1.666 local terms energy: -368.105976 where: bonds (distance) C4'-P energy: -50.430 bonds (distance) P-C4' energy: -88.159 flat angles C4'-P-C4' energy: -86.099 flat angles P-C4'-P energy: -50.898 tors. eta vs tors. theta energy: -92.520 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: 5 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -1144.268591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.268591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.268591 (E_RNA) where: Base-Base interactions energy: -755.016 where: short stacking energy: -327.304 Base-Backbone interact. energy: -0.268 local terms energy: -388.984331 where: bonds (distance) C4'-P energy: -74.383 bonds (distance) P-C4' energy: -73.538 flat angles C4'-P-C4' energy: -75.397 flat angles P-C4'-P energy: -60.219 tors. eta vs tors. theta energy: -105.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -851.636145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.636145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.636145 (E_RNA) where: Base-Base interactions energy: -538.607 where: short stacking energy: -251.550 Base-Backbone interact. energy: 1.286 local terms energy: -314.315398 where: bonds (distance) C4'-P energy: -59.399 bonds (distance) P-C4' energy: -72.946 flat angles C4'-P-C4' energy: -85.156 flat angles P-C4'-P energy: -49.073 tors. eta vs tors. theta energy: -47.742 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: 6 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -667.329101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.329101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.329101 (E_RNA) where: Base-Base interactions energy: -404.683 where: short stacking energy: -181.278 Base-Backbone interact. energy: -1.077 local terms energy: -261.569103 where: bonds (distance) C4'-P energy: -78.081 bonds (distance) P-C4' energy: -59.134 flat angles C4'-P-C4' energy: -61.635 flat angles P-C4'-P energy: -40.444 tors. eta vs tors. theta energy: -22.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -686.555423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.555423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.555423 (E_RNA) where: Base-Base interactions energy: -408.993 where: short stacking energy: -176.660 Base-Backbone interact. energy: 2.739 local terms energy: -280.301472 where: bonds (distance) C4'-P energy: -71.309 bonds (distance) P-C4' energy: -70.245 flat angles C4'-P-C4' energy: -75.151 flat angles P-C4'-P energy: -43.072 tors. eta vs tors. theta energy: -20.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -353.979811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.979811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.979811 (E_RNA) where: Base-Base interactions energy: -118.304 where: short stacking energy: -109.834 Base-Backbone interact. energy: 2.318 local terms energy: -237.993851 where: bonds (distance) C4'-P energy: -66.279 bonds (distance) P-C4' energy: -82.316 flat angles C4'-P-C4' energy: -50.630 flat angles P-C4'-P energy: -36.790 tors. eta vs tors. theta energy: -1.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -358.265348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.265348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.265348 (E_RNA) where: Base-Base interactions energy: -133.603 where: short stacking energy: -114.019 Base-Backbone interact. energy: -0.230 local terms energy: -224.433067 where: bonds (distance) C4'-P energy: -68.579 bonds (distance) P-C4' energy: -59.779 flat angles C4'-P-C4' energy: -68.675 flat angles P-C4'-P energy: -30.332 tors. eta vs tors. theta energy: 2.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -1330.290692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.290692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.290692 (E_RNA) where: Base-Base interactions energy: -910.115 where: short stacking energy: -402.621 Base-Backbone interact. energy: 0.123 local terms energy: -420.299139 where: bonds (distance) C4'-P energy: -82.409 bonds (distance) P-C4' energy: -80.404 flat angles C4'-P-C4' energy: -90.109 flat angles P-C4'-P energy: -60.185 tors. eta vs tors. theta energy: -107.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -1326.964948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.964948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.964948 (E_RNA) where: Base-Base interactions energy: -901.830 where: short stacking energy: -385.330 Base-Backbone interact. energy: -1.973 local terms energy: -423.162049 where: bonds (distance) C4'-P energy: -87.034 bonds (distance) P-C4' energy: -80.663 flat angles C4'-P-C4' energy: -88.025 flat angles P-C4'-P energy: -60.666 tors. eta vs tors. theta energy: -106.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -1230.039632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.039632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.039632 (E_RNA) where: Base-Base interactions energy: -833.337 where: short stacking energy: -333.860 Base-Backbone interact. energy: -1.083 local terms energy: -395.619583 where: bonds (distance) C4'-P energy: -78.313 bonds (distance) P-C4' energy: -74.965 flat angles C4'-P-C4' energy: -96.037 flat angles P-C4'-P energy: -53.205 tors. eta vs tors. theta energy: -93.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -1193.896134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.896134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.896134 (E_RNA) where: Base-Base interactions energy: -797.021 where: short stacking energy: -345.179 Base-Backbone interact. energy: -0.652 local terms energy: -396.223240 where: bonds (distance) C4'-P energy: -74.976 bonds (distance) P-C4' energy: -78.235 flat angles C4'-P-C4' energy: -80.796 flat angles P-C4'-P energy: -58.058 tors. eta vs tors. theta energy: -104.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -1141.134330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.134330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.134330 (E_RNA) where: Base-Base interactions energy: -771.831 where: short stacking energy: -339.506 Base-Backbone interact. energy: 1.966 local terms energy: -371.269629 where: bonds (distance) C4'-P energy: -74.222 bonds (distance) P-C4' energy: -64.868 flat angles C4'-P-C4' energy: -84.029 flat angles P-C4'-P energy: -48.063 tors. eta vs tors. theta energy: -100.088 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: 7 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -806.953445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.953445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.953445 (E_RNA) where: Base-Base interactions energy: -500.605 where: short stacking energy: -255.330 Base-Backbone interact. energy: -2.042 local terms energy: -304.306482 where: bonds (distance) C4'-P energy: -68.803 bonds (distance) P-C4' energy: -73.770 flat angles C4'-P-C4' energy: -78.478 flat angles P-C4'-P energy: -37.229 tors. eta vs tors. theta energy: -46.026 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: 2 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -686.753505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.753505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.753505 (E_RNA) where: Base-Base interactions energy: -404.765 where: short stacking energy: -188.411 Base-Backbone interact. energy: -0.816 local terms energy: -281.172822 where: bonds (distance) C4'-P energy: -67.329 bonds (distance) P-C4' energy: -83.368 flat angles C4'-P-C4' energy: -64.310 flat angles P-C4'-P energy: -53.122 tors. eta vs tors. theta energy: -13.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -595.669676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.669676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.669676 (E_RNA) where: Base-Base interactions energy: -352.306 where: short stacking energy: -165.392 Base-Backbone interact. energy: -1.201 local terms energy: -242.163291 where: bonds (distance) C4'-P energy: -45.124 bonds (distance) P-C4' energy: -64.207 flat angles C4'-P-C4' energy: -66.516 flat angles P-C4'-P energy: -39.085 tors. eta vs tors. theta energy: -27.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -367.731936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.731936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.731936 (E_RNA) where: Base-Base interactions energy: -122.835 where: short stacking energy: -104.337 Base-Backbone interact. energy: 2.700 local terms energy: -247.596189 where: bonds (distance) C4'-P energy: -81.558 bonds (distance) P-C4' energy: -74.935 flat angles C4'-P-C4' energy: -63.667 flat angles P-C4'-P energy: -31.740 tors. eta vs tors. theta energy: 4.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -337.123693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.123693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.123693 (E_RNA) where: Base-Base interactions energy: -91.792 where: short stacking energy: -78.946 Base-Backbone interact. energy: -1.346 local terms energy: -243.985557 where: bonds (distance) C4'-P energy: -67.232 bonds (distance) P-C4' energy: -75.685 flat angles C4'-P-C4' energy: -69.611 flat angles P-C4'-P energy: -45.541 tors. eta vs tors. theta energy: 14.082 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: 1 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -1345.470322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.470322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.470322 (E_RNA) where: Base-Base interactions energy: -911.742 where: short stacking energy: -399.480 Base-Backbone interact. energy: -0.942 local terms energy: -432.786795 where: bonds (distance) C4'-P energy: -78.940 bonds (distance) P-C4' energy: -85.999 flat angles C4'-P-C4' energy: -96.414 flat angles P-C4'-P energy: -60.640 tors. eta vs tors. theta energy: -110.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -1331.946552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.946552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.946552 (E_RNA) where: Base-Base interactions energy: -905.498 where: short stacking energy: -394.495 Base-Backbone interact. energy: -0.558 local terms energy: -425.889828 where: bonds (distance) C4'-P energy: -83.082 bonds (distance) P-C4' energy: -87.978 flat angles C4'-P-C4' energy: -92.139 flat angles P-C4'-P energy: -48.378 tors. eta vs tors. theta energy: -114.313 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: 3, replica: 8 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -1224.275011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.275011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.275011 (E_RNA) where: Base-Base interactions energy: -835.681 where: short stacking energy: -348.780 Base-Backbone interact. energy: 4.046 local terms energy: -392.639987 where: bonds (distance) C4'-P energy: -72.812 bonds (distance) P-C4' energy: -81.861 flat angles C4'-P-C4' energy: -82.170 flat angles P-C4'-P energy: -55.580 tors. eta vs tors. theta energy: -100.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -1193.072108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.072108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.072108 (E_RNA) where: Base-Base interactions energy: -806.408 where: short stacking energy: -331.994 Base-Backbone interact. energy: -0.564 local terms energy: -386.100282 where: bonds (distance) C4'-P energy: -68.762 bonds (distance) P-C4' energy: -75.461 flat angles C4'-P-C4' energy: -82.882 flat angles P-C4'-P energy: -62.596 tors. eta vs tors. theta energy: -96.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -1161.206125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.206125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.206125 (E_RNA) where: Base-Base interactions energy: -758.187 where: short stacking energy: -322.667 Base-Backbone interact. energy: 2.773 local terms energy: -405.791690 where: bonds (distance) C4'-P energy: -73.213 bonds (distance) P-C4' energy: -82.218 flat angles C4'-P-C4' energy: -87.392 flat angles P-C4'-P energy: -57.998 tors. eta vs tors. theta energy: -104.970 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: 6, replica: 7 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -868.023584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.023584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.023584 (E_RNA) where: Base-Base interactions energy: -561.875 where: short stacking energy: -255.655 Base-Backbone interact. energy: -1.812 local terms energy: -304.336735 where: bonds (distance) C4'-P energy: -75.038 bonds (distance) P-C4' energy: -58.359 flat angles C4'-P-C4' energy: -69.390 flat angles P-C4'-P energy: -45.119 tors. eta vs tors. theta energy: -56.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -682.558151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.558151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.558151 (E_RNA) where: Base-Base interactions energy: -409.797 where: short stacking energy: -197.273 Base-Backbone interact. energy: -0.500 local terms energy: -272.260930 where: bonds (distance) C4'-P energy: -71.151 bonds (distance) P-C4' energy: -76.458 flat angles C4'-P-C4' energy: -42.651 flat angles P-C4'-P energy: -46.176 tors. eta vs tors. theta energy: -35.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -641.175438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.175438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.175438 (E_RNA) where: Base-Base interactions energy: -363.042 where: short stacking energy: -171.602 Base-Backbone interact. energy: -1.733 local terms energy: -276.400866 where: bonds (distance) C4'-P energy: -50.868 bonds (distance) P-C4' energy: -80.241 flat angles C4'-P-C4' energy: -76.457 flat angles P-C4'-P energy: -45.998 tors. eta vs tors. theta energy: -22.837 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: 4 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -352.630811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.630811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.630811 (E_RNA) where: Base-Base interactions energy: -139.759 where: short stacking energy: -112.348 Base-Backbone interact. energy: 4.308 local terms energy: -217.180292 where: bonds (distance) C4'-P energy: -58.593 bonds (distance) P-C4' energy: -64.457 flat angles C4'-P-C4' energy: -67.959 flat angles P-C4'-P energy: -27.121 tors. eta vs tors. theta energy: 0.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -337.046222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.046222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.046222 (E_RNA) where: Base-Base interactions energy: -123.572 where: short stacking energy: -71.577 Base-Backbone interact. energy: 1.013 local terms energy: -214.487023 where: bonds (distance) C4'-P energy: -75.905 bonds (distance) P-C4' energy: -64.529 flat angles C4'-P-C4' energy: -49.790 flat angles P-C4'-P energy: -30.476 tors. eta vs tors. theta energy: 6.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -1329.988439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.988439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.988439 (E_RNA) where: Base-Base interactions energy: -902.330 where: short stacking energy: -389.578 Base-Backbone interact. energy: -2.373 local terms energy: -425.285374 where: bonds (distance) C4'-P energy: -80.857 bonds (distance) P-C4' energy: -83.079 flat angles C4'-P-C4' energy: -94.522 flat angles P-C4'-P energy: -52.743 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: 188 Temperature: 0.950000 Total energy: -1338.971156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.971156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.971156 (E_RNA) where: Base-Base interactions energy: -907.624 where: short stacking energy: -379.743 Base-Backbone interact. energy: -2.738 local terms energy: -428.609682 where: bonds (distance) C4'-P energy: -85.799 bonds (distance) P-C4' energy: -86.868 flat angles C4'-P-C4' energy: -86.344 flat angles P-C4'-P energy: -59.003 tors. eta vs tors. theta energy: -110.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -1249.236676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.236676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.236676 (E_RNA) where: Base-Base interactions energy: -849.509 where: short stacking energy: -353.599 Base-Backbone interact. energy: -0.808 local terms energy: -398.919753 where: bonds (distance) C4'-P energy: -78.326 bonds (distance) P-C4' energy: -79.917 flat angles C4'-P-C4' energy: -90.666 flat angles P-C4'-P energy: -54.389 tors. eta vs tors. theta energy: -95.622 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: 5 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -1189.419782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.419782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.419782 (E_RNA) where: Base-Base interactions energy: -809.660 where: short stacking energy: -355.717 Base-Backbone interact. energy: -2.053 local terms energy: -377.706544 where: bonds (distance) C4'-P energy: -69.080 bonds (distance) P-C4' energy: -65.418 flat angles C4'-P-C4' energy: -80.463 flat angles P-C4'-P energy: -54.979 tors. eta vs tors. theta energy: -107.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -1135.898919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.898919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.898919 (E_RNA) where: Base-Base interactions energy: -765.194 where: short stacking energy: -321.935 Base-Backbone interact. energy: -1.933 local terms energy: -368.771832 where: bonds (distance) C4'-P energy: -65.327 bonds (distance) P-C4' energy: -70.737 flat angles C4'-P-C4' energy: -84.562 flat angles P-C4'-P energy: -63.382 tors. eta vs tors. theta energy: -84.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -832.891906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.891906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.891906 (E_RNA) where: Base-Base interactions energy: -529.192 where: short stacking energy: -236.186 Base-Backbone interact. energy: -1.342 local terms energy: -302.357741 where: bonds (distance) C4'-P energy: -68.638 bonds (distance) P-C4' energy: -78.972 flat angles C4'-P-C4' energy: -66.846 flat angles P-C4'-P energy: -51.110 tors. eta vs tors. theta energy: -36.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -688.958793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.958793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.958793 (E_RNA) where: Base-Base interactions energy: -413.254 where: short stacking energy: -201.157 Base-Backbone interact. energy: 1.992 local terms energy: -277.696625 where: bonds (distance) C4'-P energy: -65.647 bonds (distance) P-C4' energy: -66.915 flat angles C4'-P-C4' energy: -72.024 flat angles P-C4'-P energy: -46.016 tors. eta vs tors. theta energy: -27.095 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: 8, replica: 2 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -615.256518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.256518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.256518 (E_RNA) where: Base-Base interactions energy: -339.899 where: short stacking energy: -149.090 Base-Backbone interact. energy: 0.205 local terms energy: -275.563104 where: bonds (distance) C4'-P energy: -72.220 bonds (distance) P-C4' energy: -88.210 flat angles C4'-P-C4' energy: -72.892 flat angles P-C4'-P energy: -30.359 tors. eta vs tors. theta energy: -11.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -362.094167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.094167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.094167 (E_RNA) where: Base-Base interactions energy: -133.769 where: short stacking energy: -113.873 Base-Backbone interact. energy: 3.524 local terms energy: -231.849647 where: bonds (distance) C4'-P energy: -62.178 bonds (distance) P-C4' energy: -73.591 flat angles C4'-P-C4' energy: -61.610 flat angles P-C4'-P energy: -34.780 tors. eta vs tors. theta energy: 0.309 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: 4 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -338.763024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.763024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.763024 (E_RNA) where: Base-Base interactions energy: -101.019 where: short stacking energy: -93.120 Base-Backbone interact. energy: -0.554 local terms energy: -237.190485 where: bonds (distance) C4'-P energy: -72.272 bonds (distance) P-C4' energy: -61.665 flat angles C4'-P-C4' energy: -53.344 flat angles P-C4'-P energy: -50.562 tors. eta vs tors. theta energy: 0.653 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: 1, replica: 1 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -1347.514999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.514999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.514999 (E_RNA) where: Base-Base interactions energy: -912.446 where: short stacking energy: -394.703 Base-Backbone interact. energy: 1.029 local terms energy: -436.098561 where: bonds (distance) C4'-P energy: -77.341 bonds (distance) P-C4' energy: -88.220 flat angles C4'-P-C4' energy: -87.920 flat angles P-C4'-P energy: -68.288 tors. eta vs tors. theta energy: -114.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -1341.252892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.252892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.252892 (E_RNA) where: Base-Base interactions energy: -908.804 where: short stacking energy: -382.940 Base-Backbone interact. energy: -3.014 local terms energy: -429.435218 where: bonds (distance) C4'-P energy: -81.662 bonds (distance) P-C4' energy: -76.857 flat angles C4'-P-C4' energy: -94.469 flat angles P-C4'-P energy: -62.146 tors. eta vs tors. theta energy: -114.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -1249.955241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.955241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.955241 (E_RNA) where: Base-Base interactions energy: -855.969 where: short stacking energy: -353.517 Base-Backbone interact. energy: -0.350 local terms energy: -393.636585 where: bonds (distance) C4'-P energy: -72.909 bonds (distance) P-C4' energy: -75.311 flat angles C4'-P-C4' energy: -85.107 flat angles P-C4'-P energy: -66.025 tors. eta vs tors. theta energy: -94.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -1217.559618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.559618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.559618 (E_RNA) where: Base-Base interactions energy: -813.443 where: short stacking energy: -368.133 Base-Backbone interact. energy: 4.386 local terms energy: -408.502518 where: bonds (distance) C4'-P energy: -75.448 bonds (distance) P-C4' energy: -78.073 flat angles C4'-P-C4' energy: -80.917 flat angles P-C4'-P energy: -64.923 tors. eta vs tors. theta energy: -109.141 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: 5, replica: 9 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -1133.150766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.150766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.150766 (E_RNA) where: Base-Base interactions energy: -757.318 where: short stacking energy: -331.702 Base-Backbone interact. energy: -0.770 local terms energy: -375.062873 where: bonds (distance) C4'-P energy: -76.166 bonds (distance) P-C4' energy: -74.064 flat angles C4'-P-C4' energy: -90.106 flat angles P-C4'-P energy: -49.215 tors. eta vs tors. theta energy: -85.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -895.349933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.349933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.349933 (E_RNA) where: Base-Base interactions energy: -552.955 where: short stacking energy: -257.502 Base-Backbone interact. energy: -2.344 local terms energy: -340.051654 where: bonds (distance) C4'-P energy: -70.546 bonds (distance) P-C4' energy: -77.828 flat angles C4'-P-C4' energy: -75.863 flat angles P-C4'-P energy: -47.851 tors. eta vs tors. theta energy: -67.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -778.193652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.193652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.193652 (E_RNA) where: Base-Base interactions energy: -486.309 where: short stacking energy: -226.594 Base-Backbone interact. energy: -1.847 local terms energy: -290.038146 where: bonds (distance) C4'-P energy: -64.129 bonds (distance) P-C4' energy: -69.510 flat angles C4'-P-C4' energy: -71.148 flat angles P-C4'-P energy: -49.395 tors. eta vs tors. theta energy: -35.856 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: 2 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -582.665801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.665801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.665801 (E_RNA) where: Base-Base interactions energy: -345.208 where: short stacking energy: -140.633 Base-Backbone interact. energy: -3.174 local terms energy: -234.283884 where: bonds (distance) C4'-P energy: -66.634 bonds (distance) P-C4' energy: -72.370 flat angles C4'-P-C4' energy: -49.060 flat angles P-C4'-P energy: -41.829 tors. eta vs tors. theta energy: -4.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -383.278589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.278589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.278589 (E_RNA) where: Base-Base interactions energy: -170.490 where: short stacking energy: -116.053 Base-Backbone interact. energy: -1.180 local terms energy: -211.607906 where: bonds (distance) C4'-P energy: -59.959 bonds (distance) P-C4' energy: -67.652 flat angles C4'-P-C4' energy: -54.361 flat angles P-C4'-P energy: -39.193 tors. eta vs tors. theta energy: 9.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -338.833677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.833677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.833677 (E_RNA) where: Base-Base interactions energy: -98.202 where: short stacking energy: -78.417 Base-Backbone interact. energy: -1.225 local terms energy: -239.407389 where: bonds (distance) C4'-P energy: -77.056 bonds (distance) P-C4' energy: -65.376 flat angles C4'-P-C4' energy: -68.093 flat angles P-C4'-P energy: -37.826 tors. eta vs tors. theta energy: 8.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -1360.667947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.667947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.667947 (E_RNA) where: Base-Base interactions energy: -918.816 where: short stacking energy: -394.927 Base-Backbone interact. energy: -5.764 local terms energy: -436.087751 where: bonds (distance) C4'-P energy: -82.985 bonds (distance) P-C4' energy: -90.969 flat angles C4'-P-C4' energy: -89.685 flat angles P-C4'-P energy: -61.577 tors. eta vs tors. theta energy: -110.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -1320.559464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.559464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.559464 (E_RNA) where: Base-Base interactions energy: -910.150 where: short stacking energy: -394.292 Base-Backbone interact. energy: 0.006 local terms energy: -410.415676 where: bonds (distance) C4'-P energy: -79.592 bonds (distance) P-C4' energy: -64.151 flat angles C4'-P-C4' energy: -96.587 flat angles P-C4'-P energy: -63.232 tors. eta vs tors. theta energy: -106.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -1228.472519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.472519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.472519 (E_RNA) where: Base-Base interactions energy: -845.445 where: short stacking energy: -376.504 Base-Backbone interact. energy: -1.818 local terms energy: -381.209061 where: bonds (distance) C4'-P energy: -77.894 bonds (distance) P-C4' energy: -72.698 flat angles C4'-P-C4' energy: -77.049 flat angles P-C4'-P energy: -53.491 tors. eta vs tors. theta energy: -100.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -1181.031903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.031903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.031903 (E_RNA) where: Base-Base interactions energy: -795.673 where: short stacking energy: -342.612 Base-Backbone interact. energy: -1.399 local terms energy: -383.960273 where: bonds (distance) C4'-P energy: -75.858 bonds (distance) P-C4' energy: -78.825 flat angles C4'-P-C4' energy: -85.774 flat angles P-C4'-P energy: -55.767 tors. eta vs tors. theta energy: -87.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -1132.389129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.389129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.389129 (E_RNA) where: Base-Base interactions energy: -765.090 where: short stacking energy: -312.035 Base-Backbone interact. energy: 0.690 local terms energy: -367.989952 where: bonds (distance) C4'-P energy: -78.574 bonds (distance) P-C4' energy: -68.661 flat angles C4'-P-C4' energy: -78.104 flat angles P-C4'-P energy: -55.702 tors. eta vs tors. theta energy: -86.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -884.917560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.917560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.917560 (E_RNA) where: Base-Base interactions energy: -553.753 where: short stacking energy: -240.332 Base-Backbone interact. energy: -0.442 local terms energy: -330.722490 where: bonds (distance) C4'-P energy: -69.668 bonds (distance) P-C4' energy: -66.428 flat angles C4'-P-C4' energy: -77.318 flat angles P-C4'-P energy: -53.738 tors. eta vs tors. theta energy: -63.570 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: 6 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -816.663433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.663433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.663433 (E_RNA) where: Base-Base interactions energy: -528.789 where: short stacking energy: -222.296 Base-Backbone interact. energy: -1.419 local terms energy: -286.455140 where: bonds (distance) C4'-P energy: -62.913 bonds (distance) P-C4' energy: -55.067 flat angles C4'-P-C4' energy: -76.710 flat angles P-C4'-P energy: -52.592 tors. eta vs tors. theta energy: -39.172 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: 2 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -560.236414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.236414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.236414 (E_RNA) where: Base-Base interactions energy: -289.021 where: short stacking energy: -154.398 Base-Backbone interact. energy: 0.311 local terms energy: -271.525889 where: bonds (distance) C4'-P energy: -71.929 bonds (distance) P-C4' energy: -74.290 flat angles C4'-P-C4' energy: -67.717 flat angles P-C4'-P energy: -37.945 tors. eta vs tors. theta energy: -19.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -361.086996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.086996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.086996 (E_RNA) where: Base-Base interactions energy: -125.552 where: short stacking energy: -84.285 Base-Backbone interact. energy: -2.690 local terms energy: -232.845093 where: bonds (distance) C4'-P energy: -60.467 bonds (distance) P-C4' energy: -74.974 flat angles C4'-P-C4' energy: -65.956 flat angles P-C4'-P energy: -46.445 tors. eta vs tors. theta energy: 14.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -324.940554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.940554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.940554 (E_RNA) where: Base-Base interactions energy: -105.962 where: short stacking energy: -96.313 Base-Backbone interact. energy: 1.742 local terms energy: -220.720803 where: bonds (distance) C4'-P energy: -69.389 bonds (distance) P-C4' energy: -66.078 flat angles C4'-P-C4' energy: -72.939 flat angles P-C4'-P energy: -31.948 tors. eta vs tors. theta energy: 19.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -1396.181934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.181934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.181934 (E_RNA) where: Base-Base interactions energy: -955.586 where: short stacking energy: -400.958 Base-Backbone interact. energy: -1.880 local terms energy: -438.716659 where: bonds (distance) C4'-P energy: -79.220 bonds (distance) P-C4' energy: -88.328 flat angles C4'-P-C4' energy: -82.493 flat angles P-C4'-P energy: -68.211 tors. eta vs tors. theta energy: -120.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -1305.160046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.160046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.160046 (E_RNA) where: Base-Base interactions energy: -902.798 where: short stacking energy: -376.753 Base-Backbone interact. energy: -0.198 local terms energy: -402.164401 where: bonds (distance) C4'-P energy: -78.739 bonds (distance) P-C4' energy: -81.325 flat angles C4'-P-C4' energy: -85.287 flat angles P-C4'-P energy: -47.206 tors. eta vs tors. theta energy: -109.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -1246.943533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.943533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.943533 (E_RNA) where: Base-Base interactions energy: -844.292 where: short stacking energy: -363.861 Base-Backbone interact. energy: -2.619 local terms energy: -400.033008 where: bonds (distance) C4'-P energy: -82.134 bonds (distance) P-C4' energy: -69.874 flat angles C4'-P-C4' energy: -84.766 flat angles P-C4'-P energy: -47.531 tors. eta vs tors. theta energy: -115.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -1212.399161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.399161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.399161 (E_RNA) where: Base-Base interactions energy: -819.235 where: short stacking energy: -349.631 Base-Backbone interact. energy: -0.638 local terms energy: -392.525694 where: bonds (distance) C4'-P energy: -84.896 bonds (distance) P-C4' energy: -70.513 flat angles C4'-P-C4' energy: -82.946 flat angles P-C4'-P energy: -52.018 tors. eta vs tors. theta energy: -102.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -1129.407799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.407799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.407799 (E_RNA) where: Base-Base interactions energy: -758.212 where: short stacking energy: -302.945 Base-Backbone interact. energy: -0.086 local terms energy: -371.110374 where: bonds (distance) C4'-P energy: -71.313 bonds (distance) P-C4' energy: -68.109 flat angles C4'-P-C4' energy: -84.329 flat angles P-C4'-P energy: -61.305 tors. eta vs tors. theta energy: -86.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -896.801630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.801630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.801630 (E_RNA) where: Base-Base interactions energy: -552.826 where: short stacking energy: -251.836 Base-Backbone interact. energy: -3.132 local terms energy: -340.842988 where: bonds (distance) C4'-P energy: -73.719 bonds (distance) P-C4' energy: -75.981 flat angles C4'-P-C4' energy: -73.354 flat angles P-C4'-P energy: -60.949 tors. eta vs tors. theta energy: -56.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -751.911301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.911301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.911301 (E_RNA) where: Base-Base interactions energy: -451.403 where: short stacking energy: -195.937 Base-Backbone interact. energy: 1.116 local terms energy: -301.624486 where: bonds (distance) C4'-P energy: -83.838 bonds (distance) P-C4' energy: -73.526 flat angles C4'-P-C4' energy: -71.008 flat angles P-C4'-P energy: -45.542 tors. eta vs tors. theta energy: -27.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -565.821821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.821821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.821821 (E_RNA) where: Base-Base interactions energy: -327.807 where: short stacking energy: -181.071 Base-Backbone interact. energy: -1.712 local terms energy: -236.302658 where: bonds (distance) C4'-P energy: -48.590 bonds (distance) P-C4' energy: -67.357 flat angles C4'-P-C4' energy: -57.778 flat angles P-C4'-P energy: -39.747 tors. eta vs tors. theta energy: -22.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -357.972131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.972131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.972131 (E_RNA) where: Base-Base interactions energy: -130.829 where: short stacking energy: -103.477 Base-Backbone interact. energy: -1.128 local terms energy: -226.015006 where: bonds (distance) C4'-P energy: -63.330 bonds (distance) P-C4' energy: -84.627 flat angles C4'-P-C4' energy: -48.735 flat angles P-C4'-P energy: -35.557 tors. eta vs tors. theta energy: 6.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -311.340026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.340026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.340026 (E_RNA) where: Base-Base interactions energy: -118.494 where: short stacking energy: -83.891 Base-Backbone interact. energy: -1.339 local terms energy: -191.507840 where: bonds (distance) C4'-P energy: -70.893 bonds (distance) P-C4' energy: -61.272 flat angles C4'-P-C4' energy: -50.227 flat angles P-C4'-P energy: -22.412 tors. eta vs tors. theta energy: 13.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -1368.467523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.467523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.467523 (E_RNA) where: Base-Base interactions energy: -931.499 where: short stacking energy: -389.197 Base-Backbone interact. energy: -2.752 local terms energy: -434.216529 where: bonds (distance) C4'-P energy: -82.264 bonds (distance) P-C4' energy: -80.909 flat angles C4'-P-C4' energy: -90.432 flat angles P-C4'-P energy: -63.233 tors. eta vs tors. theta energy: -117.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -1317.357619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.357619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.357619 (E_RNA) where: Base-Base interactions energy: -895.528 where: short stacking energy: -384.821 Base-Backbone interact. energy: -2.959 local terms energy: -418.871038 where: bonds (distance) C4'-P energy: -83.841 bonds (distance) P-C4' energy: -79.946 flat angles C4'-P-C4' energy: -82.948 flat angles P-C4'-P energy: -64.410 tors. eta vs tors. theta energy: -107.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -1226.482359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.482359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.482359 (E_RNA) where: Base-Base interactions energy: -822.191 where: short stacking energy: -369.195 Base-Backbone interact. energy: -0.804 local terms energy: -403.486658 where: bonds (distance) C4'-P energy: -74.335 bonds (distance) P-C4' energy: -83.836 flat angles C4'-P-C4' energy: -84.970 flat angles P-C4'-P energy: -55.189 tors. eta vs tors. theta energy: -105.157 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: 8 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -1191.216993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.216993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.216993 (E_RNA) where: Base-Base interactions energy: -808.036 where: short stacking energy: -325.166 Base-Backbone interact. energy: 0.836 local terms energy: -384.017235 where: bonds (distance) C4'-P energy: -79.215 bonds (distance) P-C4' energy: -84.028 flat angles C4'-P-C4' energy: -86.651 flat angles P-C4'-P energy: -50.677 tors. eta vs tors. theta energy: -83.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -1169.306561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.306561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.306561 (E_RNA) where: Base-Base interactions energy: -789.667 where: short stacking energy: -346.628 Base-Backbone interact. energy: -1.518 local terms energy: -378.121181 where: bonds (distance) C4'-P energy: -71.661 bonds (distance) P-C4' energy: -59.321 flat angles C4'-P-C4' energy: -83.294 flat angles P-C4'-P energy: -59.544 tors. eta vs tors. theta energy: -104.301 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: 6, replica: 7 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -925.382407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.382407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.382407 (E_RNA) where: Base-Base interactions energy: -585.943 where: short stacking energy: -269.793 Base-Backbone interact. energy: -3.135 local terms energy: -336.304455 where: bonds (distance) C4'-P energy: -75.888 bonds (distance) P-C4' energy: -72.548 flat angles C4'-P-C4' energy: -83.665 flat angles P-C4'-P energy: -49.000 tors. eta vs tors. theta energy: -55.204 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: 6 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -746.944732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.944732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.944732 (E_RNA) where: Base-Base interactions energy: -455.233 where: short stacking energy: -210.396 Base-Backbone interact. energy: 3.098 local terms energy: -294.809778 where: bonds (distance) C4'-P energy: -62.968 bonds (distance) P-C4' energy: -69.175 flat angles C4'-P-C4' energy: -81.784 flat angles P-C4'-P energy: -40.924 tors. eta vs tors. theta energy: -39.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -572.487441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.487441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.487441 (E_RNA) where: Base-Base interactions energy: -297.425 where: short stacking energy: -177.302 Base-Backbone interact. energy: -1.179 local terms energy: -273.883771 where: bonds (distance) C4'-P energy: -65.569 bonds (distance) P-C4' energy: -64.962 flat angles C4'-P-C4' energy: -76.860 flat angles P-C4'-P energy: -43.434 tors. eta vs tors. theta energy: -23.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -393.439234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.439234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.439234 (E_RNA) where: Base-Base interactions energy: -153.928 where: short stacking energy: -120.587 Base-Backbone interact. energy: -0.022 local terms energy: -239.489205 where: bonds (distance) C4'-P energy: -74.444 bonds (distance) P-C4' energy: -71.802 flat angles C4'-P-C4' energy: -67.848 flat angles P-C4'-P energy: -33.182 tors. eta vs tors. theta energy: 7.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -363.136062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.136062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.136062 (E_RNA) where: Base-Base interactions energy: -177.167 where: short stacking energy: -94.091 Base-Backbone interact. energy: 0.298 local terms energy: -186.267196 where: bonds (distance) C4'-P energy: -53.017 bonds (distance) P-C4' energy: -55.864 flat angles C4'-P-C4' energy: -61.163 flat angles P-C4'-P energy: -33.254 tors. eta vs tors. theta energy: 17.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -1391.772888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.772888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.772888 (E_RNA) where: Base-Base interactions energy: -963.935 where: short stacking energy: -397.695 Base-Backbone interact. energy: -2.416 local terms energy: -425.421951 where: bonds (distance) C4'-P energy: -77.473 bonds (distance) P-C4' energy: -73.340 flat angles C4'-P-C4' energy: -92.004 flat angles P-C4'-P energy: -71.197 tors. eta vs tors. theta energy: -111.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -1269.983756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.983756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.983756 (E_RNA) where: Base-Base interactions energy: -852.701 where: short stacking energy: -365.709 Base-Backbone interact. energy: -0.750 local terms energy: -416.532196 where: bonds (distance) C4'-P energy: -68.962 bonds (distance) P-C4' energy: -82.472 flat angles C4'-P-C4' energy: -96.593 flat angles P-C4'-P energy: -61.625 tors. eta vs tors. theta energy: -106.880 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: 1 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -1282.604159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.604159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.604159 (E_RNA) where: Base-Base interactions energy: -869.042 where: short stacking energy: -372.163 Base-Backbone interact. energy: -1.914 local terms energy: -411.648687 where: bonds (distance) C4'-P energy: -72.591 bonds (distance) P-C4' energy: -74.965 flat angles C4'-P-C4' energy: -93.628 flat angles P-C4'-P energy: -54.304 tors. eta vs tors. theta energy: -116.161 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: 4, replica: 9 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -1228.561948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.561948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.561948 (E_RNA) where: Base-Base interactions energy: -848.736 where: short stacking energy: -349.084 Base-Backbone interact. energy: -1.706 local terms energy: -378.120701 where: bonds (distance) C4'-P energy: -76.654 bonds (distance) P-C4' energy: -74.117 flat angles C4'-P-C4' energy: -86.366 flat angles P-C4'-P energy: -43.481 tors. eta vs tors. theta energy: -97.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -1158.731653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.731653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.731653 (E_RNA) where: Base-Base interactions energy: -794.083 where: short stacking energy: -318.618 Base-Backbone interact. energy: -2.362 local terms energy: -362.286753 where: bonds (distance) C4'-P energy: -70.190 bonds (distance) P-C4' energy: -66.318 flat angles C4'-P-C4' energy: -84.294 flat angles P-C4'-P energy: -49.874 tors. eta vs tors. theta energy: -91.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -891.156751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.156751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.156751 (E_RNA) where: Base-Base interactions energy: -572.262 where: short stacking energy: -260.013 Base-Backbone interact. energy: -0.587 local terms energy: -318.307772 where: bonds (distance) C4'-P energy: -59.674 bonds (distance) P-C4' energy: -70.442 flat angles C4'-P-C4' energy: -77.802 flat angles P-C4'-P energy: -43.406 tors. eta vs tors. theta energy: -66.984 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: 6 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -761.515272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.515272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.515272 (E_RNA) where: Base-Base interactions energy: -449.456 where: short stacking energy: -225.050 Base-Backbone interact. energy: 2.543 local terms energy: -314.601906 where: bonds (distance) C4'-P energy: -69.047 bonds (distance) P-C4' energy: -72.073 flat angles C4'-P-C4' energy: -68.977 flat angles P-C4'-P energy: -60.246 tors. eta vs tors. theta energy: -44.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -606.397153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.397153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.397153 (E_RNA) where: Base-Base interactions energy: -346.176 where: short stacking energy: -171.930 Base-Backbone interact. energy: 0.788 local terms energy: -261.009330 where: bonds (distance) C4'-P energy: -63.032 bonds (distance) P-C4' energy: -66.105 flat angles C4'-P-C4' energy: -75.252 flat angles P-C4'-P energy: -30.080 tors. eta vs tors. theta energy: -26.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -414.245883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.245883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.245883 (E_RNA) where: Base-Base interactions energy: -205.235 where: short stacking energy: -120.102 Base-Backbone interact. energy: -1.599 local terms energy: -207.411863 where: bonds (distance) C4'-P energy: -64.135 bonds (distance) P-C4' energy: -62.358 flat angles C4'-P-C4' energy: -68.961 flat angles P-C4'-P energy: -14.657 tors. eta vs tors. theta energy: 2.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -351.600164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.600164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.600164 (E_RNA) where: Base-Base interactions energy: -125.191 where: short stacking energy: -105.132 Base-Backbone interact. energy: 0.866 local terms energy: -227.274787 where: bonds (distance) C4'-P energy: -73.059 bonds (distance) P-C4' energy: -83.237 flat angles C4'-P-C4' energy: -65.169 flat angles P-C4'-P energy: -27.031 tors. eta vs tors. theta energy: 21.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -1391.444088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.444088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.444088 (E_RNA) where: Base-Base interactions energy: -954.689 where: short stacking energy: -400.630 Base-Backbone interact. energy: -5.513 local terms energy: -431.241928 where: bonds (distance) C4'-P energy: -84.192 bonds (distance) P-C4' energy: -79.141 flat angles C4'-P-C4' energy: -92.814 flat angles P-C4'-P energy: -64.294 tors. eta vs tors. theta energy: -110.800 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: 5 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -1257.744641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.744641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.744641 (E_RNA) where: Base-Base interactions energy: -842.944 where: short stacking energy: -368.614 Base-Backbone interact. energy: -1.586 local terms energy: -413.214902 where: bonds (distance) C4'-P energy: -83.579 bonds (distance) P-C4' energy: -82.895 flat angles C4'-P-C4' energy: -92.675 flat angles P-C4'-P energy: -50.522 tors. eta vs tors. theta energy: -103.544 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: 9 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -1250.478848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.478848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.478848 (E_RNA) where: Base-Base interactions energy: -857.876 where: short stacking energy: -377.287 Base-Backbone interact. energy: 0.190 local terms energy: -392.792905 where: bonds (distance) C4'-P energy: -60.009 bonds (distance) P-C4' energy: -76.834 flat angles C4'-P-C4' energy: -89.638 flat angles P-C4'-P energy: -56.591 tors. eta vs tors. theta energy: -109.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -1231.688028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.688028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.688028 (E_RNA) where: Base-Base interactions energy: -832.932 where: short stacking energy: -357.655 Base-Backbone interact. energy: -3.476 local terms energy: -395.280562 where: bonds (distance) C4'-P energy: -74.677 bonds (distance) P-C4' energy: -77.633 flat angles C4'-P-C4' energy: -90.222 flat angles P-C4'-P energy: -45.760 tors. eta vs tors. theta energy: -106.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -1189.738126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.738126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.738126 (E_RNA) where: Base-Base interactions energy: -788.917 where: short stacking energy: -336.014 Base-Backbone interact. energy: -0.278 local terms energy: -400.542580 where: bonds (distance) C4'-P energy: -76.571 bonds (distance) P-C4' energy: -88.025 flat angles C4'-P-C4' energy: -83.260 flat angles P-C4'-P energy: -62.140 tors. eta vs tors. theta energy: -90.548 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: 7 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -903.405433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.405433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.405433 (E_RNA) where: Base-Base interactions energy: -571.111 where: short stacking energy: -245.339 Base-Backbone interact. energy: -1.310 local terms energy: -330.984212 where: bonds (distance) C4'-P energy: -73.277 bonds (distance) P-C4' energy: -70.544 flat angles C4'-P-C4' energy: -82.556 flat angles P-C4'-P energy: -48.610 tors. eta vs tors. theta energy: -55.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -690.790157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.790157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.790157 (E_RNA) where: Base-Base interactions energy: -387.968 where: short stacking energy: -208.655 Base-Backbone interact. energy: -1.732 local terms energy: -301.090703 where: bonds (distance) C4'-P energy: -62.215 bonds (distance) P-C4' energy: -83.594 flat angles C4'-P-C4' energy: -71.951 flat angles P-C4'-P energy: -37.829 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: 8, replica: 6 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -674.839428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.839428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.839428 (E_RNA) where: Base-Base interactions energy: -398.948 where: short stacking energy: -173.761 Base-Backbone interact. energy: -0.984 local terms energy: -274.907751 where: bonds (distance) C4'-P energy: -74.126 bonds (distance) P-C4' energy: -72.793 flat angles C4'-P-C4' energy: -52.905 flat angles P-C4'-P energy: -47.275 tors. eta vs tors. theta energy: -27.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -396.566604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.566604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.566604 (E_RNA) where: Base-Base interactions energy: -177.139 where: short stacking energy: -123.397 Base-Backbone interact. energy: 3.929 local terms energy: -223.356337 where: bonds (distance) C4'-P energy: -58.941 bonds (distance) P-C4' energy: -50.439 flat angles C4'-P-C4' energy: -68.074 flat angles P-C4'-P energy: -45.555 tors. eta vs tors. theta energy: -0.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -327.930223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.930223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.930223 (E_RNA) where: Base-Base interactions energy: -118.303 where: short stacking energy: -104.329 Base-Backbone interact. energy: 0.743 local terms energy: -210.370734 where: bonds (distance) C4'-P energy: -59.758 bonds (distance) P-C4' energy: -57.452 flat angles C4'-P-C4' energy: -79.525 flat angles P-C4'-P energy: -12.135 tors. eta vs tors. theta energy: -1.500 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: 3 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -1379.895726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.895726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.895726 (E_RNA) where: Base-Base interactions energy: -948.552 where: short stacking energy: -389.040 Base-Backbone interact. energy: -4.714 local terms energy: -426.629840 where: bonds (distance) C4'-P energy: -81.141 bonds (distance) P-C4' energy: -78.600 flat angles C4'-P-C4' energy: -88.535 flat angles P-C4'-P energy: -60.410 tors. eta vs tors. theta energy: -117.944 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: 2, replica: 9 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -1282.364976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.364976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.364976 (E_RNA) where: Base-Base interactions energy: -860.714 where: short stacking energy: -367.058 Base-Backbone interact. energy: -2.243 local terms energy: -419.408327 where: bonds (distance) C4'-P energy: -80.130 bonds (distance) P-C4' energy: -80.359 flat angles C4'-P-C4' energy: -89.478 flat angles P-C4'-P energy: -63.314 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: 3, replica: 5 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -1207.952138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.952138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.952138 (E_RNA) where: Base-Base interactions energy: -809.132 where: short stacking energy: -353.146 Base-Backbone interact. energy: -2.903 local terms energy: -395.917132 where: bonds (distance) C4'-P energy: -74.620 bonds (distance) P-C4' energy: -70.396 flat angles C4'-P-C4' energy: -89.698 flat angles P-C4'-P energy: -59.975 tors. eta vs tors. theta energy: -101.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -1221.391350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.391350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.391350 (E_RNA) where: Base-Base interactions energy: -829.139 where: short stacking energy: -337.371 Base-Backbone interact. energy: -1.522 local terms energy: -390.730083 where: bonds (distance) C4'-P energy: -78.948 bonds (distance) P-C4' energy: -79.171 flat angles C4'-P-C4' energy: -81.921 flat angles P-C4'-P energy: -56.234 tors. eta vs tors. theta energy: -94.456 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: 1 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -1208.908223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.908223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.908223 (E_RNA) where: Base-Base interactions energy: -812.378 where: short stacking energy: -343.806 Base-Backbone interact. energy: -1.245 local terms energy: -395.285209 where: bonds (distance) C4'-P energy: -66.293 bonds (distance) P-C4' energy: -77.750 flat angles C4'-P-C4' energy: -84.648 flat angles P-C4'-P energy: -54.017 tors. eta vs tors. theta energy: -112.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -896.435835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.435835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.435835 (E_RNA) where: Base-Base interactions energy: -563.740 where: short stacking energy: -289.732 Base-Backbone interact. energy: -1.996 local terms energy: -330.699580 where: bonds (distance) C4'-P energy: -70.959 bonds (distance) P-C4' energy: -55.206 flat angles C4'-P-C4' energy: -78.630 flat angles P-C4'-P energy: -56.135 tors. eta vs tors. theta energy: -69.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -694.969766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.969766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.969766 (E_RNA) where: Base-Base interactions energy: -390.050 where: short stacking energy: -198.292 Base-Backbone interact. energy: -2.331 local terms energy: -302.587863 where: bonds (distance) C4'-P energy: -73.901 bonds (distance) P-C4' energy: -67.259 flat angles C4'-P-C4' energy: -73.467 flat angles P-C4'-P energy: -54.265 tors. eta vs tors. theta energy: -33.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -706.185063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.185063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.185063 (E_RNA) where: Base-Base interactions energy: -406.946 where: short stacking energy: -190.781 Base-Backbone interact. energy: 2.938 local terms energy: -302.177045 where: bonds (distance) C4'-P energy: -70.425 bonds (distance) P-C4' energy: -79.305 flat angles C4'-P-C4' energy: -81.301 flat angles P-C4'-P energy: -46.152 tors. eta vs tors. theta energy: -24.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -465.737192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.737192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.737192 (E_RNA) where: Base-Base interactions energy: -229.626 where: short stacking energy: -123.942 Base-Backbone interact. energy: -1.167 local terms energy: -234.944139 where: bonds (distance) C4'-P energy: -66.868 bonds (distance) P-C4' energy: -61.672 flat angles C4'-P-C4' energy: -62.813 flat angles P-C4'-P energy: -38.438 tors. eta vs tors. theta energy: -5.153 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: 4 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -327.192874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.192874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.192874 (E_RNA) where: Base-Base interactions energy: -134.761 where: short stacking energy: -85.510 Base-Backbone interact. energy: -1.258 local terms energy: -191.174151 where: bonds (distance) C4'-P energy: -65.929 bonds (distance) P-C4' energy: -69.026 flat angles C4'-P-C4' energy: -50.098 flat angles P-C4'-P energy: -37.600 tors. eta vs tors. theta energy: 31.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -1361.186995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.186995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.186995 (E_RNA) where: Base-Base interactions energy: -934.895 where: short stacking energy: -385.664 Base-Backbone interact. energy: -3.213 local terms energy: -423.078921 where: bonds (distance) C4'-P energy: -75.644 bonds (distance) P-C4' energy: -75.645 flat angles C4'-P-C4' energy: -91.368 flat angles P-C4'-P energy: -66.866 tors. eta vs tors. theta energy: -113.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -1290.033814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.033814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.033814 (E_RNA) where: Base-Base interactions energy: -873.506 where: short stacking energy: -374.863 Base-Backbone interact. energy: -1.644 local terms energy: -414.883689 where: bonds (distance) C4'-P energy: -79.676 bonds (distance) P-C4' energy: -81.539 flat angles C4'-P-C4' energy: -91.062 flat angles P-C4'-P energy: -43.262 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: 3, replica: 5 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -1276.147485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.147485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.147485 (E_RNA) where: Base-Base interactions energy: -865.773 where: short stacking energy: -389.048 Base-Backbone interact. energy: -2.349 local terms energy: -408.025875 where: bonds (distance) C4'-P energy: -72.848 bonds (distance) P-C4' energy: -75.754 flat angles C4'-P-C4' energy: -83.089 flat angles P-C4'-P energy: -60.771 tors. eta vs tors. theta energy: -115.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -1213.407859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.407859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.407859 (E_RNA) where: Base-Base interactions energy: -819.935 where: short stacking energy: -337.267 Base-Backbone interact. energy: -2.739 local terms energy: -390.733608 where: bonds (distance) C4'-P energy: -77.274 bonds (distance) P-C4' energy: -74.006 flat angles C4'-P-C4' energy: -84.303 flat angles P-C4'-P energy: -59.804 tors. eta vs tors. theta energy: -95.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -1191.536628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.536628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.536628 (E_RNA) where: Base-Base interactions energy: -817.619 where: short stacking energy: -357.287 Base-Backbone interact. energy: -2.151 local terms energy: -371.766449 where: bonds (distance) C4'-P energy: -73.974 bonds (distance) P-C4' energy: -77.930 flat angles C4'-P-C4' energy: -73.570 flat angles P-C4'-P energy: -47.642 tors. eta vs tors. theta energy: -98.651 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: 7 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -886.095997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.095997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.095997 (E_RNA) where: Base-Base interactions energy: -586.977 where: short stacking energy: -260.634 Base-Backbone interact. energy: -0.654 local terms energy: -298.465015 where: bonds (distance) C4'-P energy: -58.891 bonds (distance) P-C4' energy: -66.389 flat angles C4'-P-C4' energy: -80.411 flat angles P-C4'-P energy: -47.976 tors. eta vs tors. theta energy: -44.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -807.900480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.900480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.900480 (E_RNA) where: Base-Base interactions energy: -487.658 where: short stacking energy: -236.503 Base-Backbone interact. energy: -0.870 local terms energy: -319.372838 where: bonds (distance) C4'-P energy: -68.420 bonds (distance) P-C4' energy: -74.252 flat angles C4'-P-C4' energy: -70.267 flat angles P-C4'-P energy: -52.512 tors. eta vs tors. theta energy: -53.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -621.462005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.462005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.462005 (E_RNA) where: Base-Base interactions energy: -335.461 where: short stacking energy: -187.317 Base-Backbone interact. energy: -1.918 local terms energy: -284.083845 where: bonds (distance) C4'-P energy: -59.868 bonds (distance) P-C4' energy: -77.966 flat angles C4'-P-C4' energy: -67.782 flat angles P-C4'-P energy: -35.650 tors. eta vs tors. theta energy: -42.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -431.609675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.609675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.609675 (E_RNA) where: Base-Base interactions energy: -210.934 where: short stacking energy: -128.913 Base-Backbone interact. energy: 1.780 local terms energy: -222.455206 where: bonds (distance) C4'-P energy: -58.454 bonds (distance) P-C4' energy: -71.284 flat angles C4'-P-C4' energy: -67.632 flat angles P-C4'-P energy: -27.095 tors. eta vs tors. theta energy: 2.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -311.470089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.470089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.470089 (E_RNA) where: Base-Base interactions energy: -98.136 where: short stacking energy: -82.695 Base-Backbone interact. energy: -0.604 local terms energy: -212.730096 where: bonds (distance) C4'-P energy: -70.463 bonds (distance) P-C4' energy: -80.741 flat angles C4'-P-C4' energy: -50.858 flat angles P-C4'-P energy: -33.316 tors. eta vs tors. theta energy: 22.647 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: 3 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -1370.883108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.883108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.883108 (E_RNA) where: Base-Base interactions energy: -939.508 where: short stacking energy: -387.193 Base-Backbone interact. energy: -3.199 local terms energy: -428.175864 where: bonds (distance) C4'-P energy: -80.546 bonds (distance) P-C4' energy: -82.260 flat angles C4'-P-C4' energy: -82.956 flat angles P-C4'-P energy: -68.179 tors. eta vs tors. theta energy: -114.234 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: 5 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -1294.869125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.869125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.869125 (E_RNA) where: Base-Base interactions energy: -872.798 where: short stacking energy: -376.368 Base-Backbone interact. energy: -2.707 local terms energy: -419.364195 where: bonds (distance) C4'-P energy: -74.120 bonds (distance) P-C4' energy: -84.758 flat angles C4'-P-C4' energy: -83.636 flat angles P-C4'-P energy: -66.480 tors. eta vs tors. theta energy: -110.371 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: 9 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -1253.255238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.255238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.255238 (E_RNA) where: Base-Base interactions energy: -841.762 where: short stacking energy: -361.781 Base-Backbone interact. energy: -2.179 local terms energy: -409.314081 where: bonds (distance) C4'-P energy: -77.653 bonds (distance) P-C4' energy: -73.911 flat angles C4'-P-C4' energy: -86.897 flat angles P-C4'-P energy: -59.477 tors. eta vs tors. theta energy: -111.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -1240.993752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.993752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.993752 (E_RNA) where: Base-Base interactions energy: -847.644 where: short stacking energy: -346.713 Base-Backbone interact. energy: -0.034 local terms energy: -393.316379 where: bonds (distance) C4'-P energy: -70.002 bonds (distance) P-C4' energy: -76.194 flat angles C4'-P-C4' energy: -87.213 flat angles P-C4'-P energy: -53.418 tors. eta vs tors. theta energy: -106.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -1167.339844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.339844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.339844 (E_RNA) where: Base-Base interactions energy: -789.716 where: short stacking energy: -322.189 Base-Backbone interact. energy: -0.977 local terms energy: -376.647146 where: bonds (distance) C4'-P energy: -69.458 bonds (distance) P-C4' energy: -92.383 flat angles C4'-P-C4' energy: -80.299 flat angles P-C4'-P energy: -62.718 tors. eta vs tors. theta energy: -71.789 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: 7 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -853.010462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.010462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.010462 (E_RNA) where: Base-Base interactions energy: -537.191 where: short stacking energy: -244.800 Base-Backbone interact. energy: 2.072 local terms energy: -317.891046 where: bonds (distance) C4'-P energy: -88.281 bonds (distance) P-C4' energy: -80.088 flat angles C4'-P-C4' energy: -80.027 flat angles P-C4'-P energy: -28.773 tors. eta vs tors. theta energy: -40.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -820.369207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.369207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.369207 (E_RNA) where: Base-Base interactions energy: -526.810 where: short stacking energy: -230.198 Base-Backbone interact. energy: -1.548 local terms energy: -292.010689 where: bonds (distance) C4'-P energy: -72.519 bonds (distance) P-C4' energy: -64.148 flat angles C4'-P-C4' energy: -58.469 flat angles P-C4'-P energy: -44.743 tors. eta vs tors. theta energy: -52.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -614.935956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.935956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.935956 (E_RNA) where: Base-Base interactions energy: -339.321 where: short stacking energy: -168.709 Base-Backbone interact. energy: 1.770 local terms energy: -277.385058 where: bonds (distance) C4'-P energy: -68.789 bonds (distance) P-C4' energy: -62.472 flat angles C4'-P-C4' energy: -82.192 flat angles P-C4'-P energy: -42.024 tors. eta vs tors. theta energy: -21.908 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: 10 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -402.594762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.594762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.594762 (E_RNA) where: Base-Base interactions energy: -180.344 where: short stacking energy: -103.083 Base-Backbone interact. energy: 0.276 local terms energy: -222.526883 where: bonds (distance) C4'-P energy: -64.075 bonds (distance) P-C4' energy: -67.189 flat angles C4'-P-C4' energy: -51.436 flat angles P-C4'-P energy: -35.895 tors. eta vs tors. theta energy: -3.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -359.573786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.573786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.573786 (E_RNA) where: Base-Base interactions energy: -156.632 where: short stacking energy: -100.573 Base-Backbone interact. energy: -1.014 local terms energy: -201.927104 where: bonds (distance) C4'-P energy: -72.453 bonds (distance) P-C4' energy: -74.366 flat angles C4'-P-C4' energy: -52.116 flat angles P-C4'-P energy: -16.849 tors. eta vs tors. theta energy: 13.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -1397.553572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.553572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.553572 (E_RNA) where: Base-Base interactions energy: -963.399 where: short stacking energy: -394.879 Base-Backbone interact. energy: -3.778 local terms energy: -430.376168 where: bonds (distance) C4'-P energy: -81.605 bonds (distance) P-C4' energy: -87.570 flat angles C4'-P-C4' energy: -86.464 flat angles P-C4'-P energy: -56.723 tors. eta vs tors. theta energy: -118.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -1326.831713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.831713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.831713 (E_RNA) where: Base-Base interactions energy: -897.246 where: short stacking energy: -394.578 Base-Backbone interact. energy: -0.904 local terms energy: -428.681504 where: bonds (distance) C4'-P energy: -82.708 bonds (distance) P-C4' energy: -81.332 flat angles C4'-P-C4' energy: -83.382 flat angles P-C4'-P energy: -61.693 tors. eta vs tors. theta energy: -119.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -1277.942306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.942306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.942306 (E_RNA) where: Base-Base interactions energy: -877.297 where: short stacking energy: -361.706 Base-Backbone interact. energy: -2.469 local terms energy: -398.176491 where: bonds (distance) C4'-P energy: -71.354 bonds (distance) P-C4' energy: -88.071 flat angles C4'-P-C4' energy: -87.152 flat angles P-C4'-P energy: -47.062 tors. eta vs tors. theta energy: -104.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -1194.964294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.964294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.964294 (E_RNA) where: Base-Base interactions energy: -825.631 where: short stacking energy: -354.948 Base-Backbone interact. energy: -1.061 local terms energy: -368.271906 where: bonds (distance) C4'-P energy: -62.972 bonds (distance) P-C4' energy: -68.985 flat angles C4'-P-C4' energy: -85.654 flat angles P-C4'-P energy: -48.602 tors. eta vs tors. theta energy: -102.059 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: 8 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -1160.383338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.383338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.383338 (E_RNA) where: Base-Base interactions energy: -815.570 where: short stacking energy: -335.881 Base-Backbone interact. energy: -0.640 local terms energy: -344.173407 where: bonds (distance) C4'-P energy: -72.109 bonds (distance) P-C4' energy: -68.937 flat angles C4'-P-C4' energy: -67.096 flat angles P-C4'-P energy: -49.878 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: 6, replica: 7 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -868.247151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.247151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.247151 (E_RNA) where: Base-Base interactions energy: -527.161 where: short stacking energy: -241.217 Base-Backbone interact. energy: -1.384 local terms energy: -339.701395 where: bonds (distance) C4'-P energy: -85.756 bonds (distance) P-C4' energy: -73.684 flat angles C4'-P-C4' energy: -72.309 flat angles P-C4'-P energy: -51.112 tors. eta vs tors. theta energy: -56.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -848.754044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.754044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.754044 (E_RNA) where: Base-Base interactions energy: -534.890 where: short stacking energy: -261.218 Base-Backbone interact. energy: -1.191 local terms energy: -312.672842 where: bonds (distance) C4'-P energy: -62.812 bonds (distance) P-C4' energy: -78.896 flat angles C4'-P-C4' energy: -71.265 flat angles P-C4'-P energy: -45.419 tors. eta vs tors. theta energy: -54.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -615.504146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.504146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.504146 (E_RNA) where: Base-Base interactions energy: -340.321 where: short stacking energy: -176.257 Base-Backbone interact. energy: 0.192 local terms energy: -275.375025 where: bonds (distance) C4'-P energy: -73.591 bonds (distance) P-C4' energy: -66.614 flat angles C4'-P-C4' energy: -71.702 flat angles P-C4'-P energy: -43.232 tors. eta vs tors. theta energy: -20.236 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: 9, replica: 4 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -421.257077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.257077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.257077 (E_RNA) where: Base-Base interactions energy: -191.023 where: short stacking energy: -127.310 Base-Backbone interact. energy: 1.366 local terms energy: -231.600356 where: bonds (distance) C4'-P energy: -63.015 bonds (distance) P-C4' energy: -75.887 flat angles C4'-P-C4' energy: -60.820 flat angles P-C4'-P energy: -34.441 tors. eta vs tors. theta energy: 2.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -379.792577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.792577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.792577 (E_RNA) where: Base-Base interactions energy: -152.190 where: short stacking energy: -107.357 Base-Backbone interact. energy: -0.816 local terms energy: -226.787326 where: bonds (distance) C4'-P energy: -73.941 bonds (distance) P-C4' energy: -62.508 flat angles C4'-P-C4' energy: -64.850 flat angles P-C4'-P energy: -40.059 tors. eta vs tors. theta energy: 14.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -1396.133439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.133439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.133439 (E_RNA) where: Base-Base interactions energy: -962.603 where: short stacking energy: -395.848 Base-Backbone interact. energy: -3.168 local terms energy: -430.362684 where: bonds (distance) C4'-P energy: -75.485 bonds (distance) P-C4' energy: -77.080 flat angles C4'-P-C4' energy: -89.180 flat angles P-C4'-P energy: -68.406 tors. eta vs tors. theta energy: -120.212 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: 5 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -1315.526123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.526123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.526123 (E_RNA) where: Base-Base interactions energy: -900.711 where: short stacking energy: -408.123 Base-Backbone interact. energy: -2.127 local terms energy: -412.688646 where: bonds (distance) C4'-P energy: -59.856 bonds (distance) P-C4' energy: -85.557 flat angles C4'-P-C4' energy: -87.489 flat angles P-C4'-P energy: -56.634 tors. eta vs tors. theta energy: -123.153 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: 1 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -1256.458975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.458975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.458975 (E_RNA) where: Base-Base interactions energy: -849.787 where: short stacking energy: -366.254 Base-Backbone interact. energy: -3.397 local terms energy: -403.275002 where: bonds (distance) C4'-P energy: -74.319 bonds (distance) P-C4' energy: -87.142 flat angles C4'-P-C4' energy: -87.079 flat angles P-C4'-P energy: -44.611 tors. eta vs tors. theta energy: -110.125 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: 199 Temperature: 1.050000 Total energy: -1174.419839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.419839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.419839 (E_RNA) where: Base-Base interactions energy: -786.239 where: short stacking energy: -324.161 Base-Backbone interact. energy: -0.916 local terms energy: -387.264640 where: bonds (distance) C4'-P energy: -76.627 bonds (distance) P-C4' energy: -71.331 flat angles C4'-P-C4' energy: -90.883 flat angles P-C4'-P energy: -56.797 tors. eta vs tors. theta energy: -91.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -1115.325797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.325797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.325797 (E_RNA) where: Base-Base interactions energy: -777.802 where: short stacking energy: -326.036 Base-Backbone interact. energy: -2.584 local terms energy: -334.939400 where: bonds (distance) C4'-P energy: -56.407 bonds (distance) P-C4' energy: -73.378 flat angles C4'-P-C4' energy: -72.614 flat angles P-C4'-P energy: -48.877 tors. eta vs tors. theta energy: -83.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -861.176753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.176753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.176753 (E_RNA) where: Base-Base interactions energy: -534.415 where: short stacking energy: -240.822 Base-Backbone interact. energy: 0.063 local terms energy: -326.824781 where: bonds (distance) C4'-P energy: -61.889 bonds (distance) P-C4' energy: -73.978 flat angles C4'-P-C4' energy: -75.916 flat angles P-C4'-P energy: -55.191 tors. eta vs tors. theta energy: -59.851 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: 6 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -851.476158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.476158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.476158 (E_RNA) where: Base-Base interactions energy: -566.054 where: short stacking energy: -262.892 Base-Backbone interact. energy: 3.050 local terms energy: -288.471251 where: bonds (distance) C4'-P energy: -68.625 bonds (distance) P-C4' energy: -56.290 flat angles C4'-P-C4' energy: -68.079 flat angles P-C4'-P energy: -44.420 tors. eta vs tors. theta energy: -51.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -666.814914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.814914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.814914 (E_RNA) where: Base-Base interactions energy: -376.803 where: short stacking energy: -166.985 Base-Backbone interact. energy: -0.701 local terms energy: -289.311224 where: bonds (distance) C4'-P energy: -81.689 bonds (distance) P-C4' energy: -67.930 flat angles C4'-P-C4' energy: -71.934 flat angles P-C4'-P energy: -38.341 tors. eta vs tors. theta energy: -29.417 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: 4 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -429.921268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.921268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.921268 (E_RNA) where: Base-Base interactions energy: -185.352 where: short stacking energy: -122.282 Base-Backbone interact. energy: 0.242 local terms energy: -244.810812 where: bonds (distance) C4'-P energy: -72.066 bonds (distance) P-C4' energy: -69.232 flat angles C4'-P-C4' energy: -55.159 flat angles P-C4'-P energy: -50.257 tors. eta vs tors. theta energy: 1.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -339.339444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.339444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.339444 (E_RNA) where: Base-Base interactions energy: -120.703 where: short stacking energy: -101.069 Base-Backbone interact. energy: 0.045 local terms energy: -218.680610 where: bonds (distance) C4'-P energy: -64.902 bonds (distance) P-C4' energy: -70.668 flat angles C4'-P-C4' energy: -57.918 flat angles P-C4'-P energy: -37.423 tors. eta vs tors. theta energy: 12.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -1373.509877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.509877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.509877 (E_RNA) where: Base-Base interactions energy: -947.409 where: short stacking energy: -401.998 Base-Backbone interact. energy: -1.796 local terms energy: -424.305372 where: bonds (distance) C4'-P energy: -82.862 bonds (distance) P-C4' energy: -82.545 flat angles C4'-P-C4' energy: -88.940 flat angles P-C4'-P energy: -58.169 tors. eta vs tors. theta energy: -111.790 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: 5 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -1309.849827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.849827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.849827 (E_RNA) where: Base-Base interactions energy: -885.883 where: short stacking energy: -404.829 Base-Backbone interact. energy: -0.736 local terms energy: -423.230521 where: bonds (distance) C4'-P energy: -74.515 bonds (distance) P-C4' energy: -85.973 flat angles C4'-P-C4' energy: -88.644 flat angles P-C4'-P energy: -54.419 tors. eta vs tors. theta energy: -119.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -1281.278513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.278513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.278513 (E_RNA) where: Base-Base interactions energy: -864.119 where: short stacking energy: -387.657 Base-Backbone interact. energy: -2.854 local terms energy: -414.305588 where: bonds (distance) C4'-P energy: -83.435 bonds (distance) P-C4' energy: -73.863 flat angles C4'-P-C4' energy: -90.555 flat angles P-C4'-P energy: -52.519 tors. eta vs tors. theta energy: -113.934 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: 9 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -1205.961691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.961691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.961691 (E_RNA) where: Base-Base interactions energy: -816.665 where: short stacking energy: -368.976 Base-Backbone interact. energy: 2.404 local terms energy: -391.700669 where: bonds (distance) C4'-P energy: -79.156 bonds (distance) P-C4' energy: -70.960 flat angles C4'-P-C4' energy: -84.327 flat angles P-C4'-P energy: -42.475 tors. eta vs tors. theta energy: -114.783 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: 200 Temperature: 1.100000 Total energy: -1137.420124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.420124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.420124 (E_RNA) where: Base-Base interactions energy: -765.447 where: short stacking energy: -335.933 Base-Backbone interact. energy: -2.051 local terms energy: -369.922091 where: bonds (distance) C4'-P energy: -74.358 bonds (distance) P-C4' energy: -75.620 flat angles C4'-P-C4' energy: -83.051 flat angles P-C4'-P energy: -45.003 tors. eta vs tors. theta energy: -91.890 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: 7 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -872.870707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.870707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.870707 (E_RNA) where: Base-Base interactions energy: -521.697 where: short stacking energy: -257.063 Base-Backbone interact. energy: -0.307 local terms energy: -350.867390 where: bonds (distance) C4'-P energy: -74.870 bonds (distance) P-C4' energy: -70.393 flat angles C4'-P-C4' energy: -87.340 flat angles P-C4'-P energy: -47.319 tors. eta vs tors. theta energy: -70.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -904.045181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.045181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.045181 (E_RNA) where: Base-Base interactions energy: -571.419 where: short stacking energy: -269.392 Base-Backbone interact. energy: -1.566 local terms energy: -331.059433 where: bonds (distance) C4'-P energy: -67.181 bonds (distance) P-C4' energy: -74.032 flat angles C4'-P-C4' energy: -76.429 flat angles P-C4'-P energy: -35.743 tors. eta vs tors. theta energy: -77.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -636.265601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.265601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.265601 (E_RNA) where: Base-Base interactions energy: -364.556 where: short stacking energy: -171.574 Base-Backbone interact. energy: -1.625 local terms energy: -270.084652 where: bonds (distance) C4'-P energy: -71.206 bonds (distance) P-C4' energy: -69.816 flat angles C4'-P-C4' energy: -69.558 flat angles P-C4'-P energy: -38.075 tors. eta vs tors. theta energy: -21.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -447.310536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.310536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.310536 (E_RNA) where: Base-Base interactions energy: -224.812 where: short stacking energy: -147.707 Base-Backbone interact. energy: 0.230 local terms energy: -222.729001 where: bonds (distance) C4'-P energy: -54.088 bonds (distance) P-C4' energy: -61.449 flat angles C4'-P-C4' energy: -60.655 flat angles P-C4'-P energy: -36.515 tors. eta vs tors. theta energy: -10.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -315.320581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.320581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.320581 (E_RNA) where: Base-Base interactions energy: -100.538 where: short stacking energy: -69.642 Base-Backbone interact. energy: 1.236 local terms energy: -216.018520 where: bonds (distance) C4'-P energy: -71.292 bonds (distance) P-C4' energy: -74.865 flat angles C4'-P-C4' energy: -53.786 flat angles P-C4'-P energy: -32.479 tors. eta vs tors. theta energy: 16.404 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: 201 Temperature: 0.900000 Total energy: -1399.987122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.987122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.987122 (E_RNA) where: Base-Base interactions energy: -972.371 where: short stacking energy: -416.716 Base-Backbone interact. energy: 0.630 local terms energy: -428.245993 where: bonds (distance) C4'-P energy: -73.570 bonds (distance) P-C4' energy: -77.151 flat angles C4'-P-C4' energy: -88.198 flat angles P-C4'-P energy: -63.121 tors. eta vs tors. theta energy: -126.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -1315.120086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.120086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.120086 (E_RNA) where: Base-Base interactions energy: -879.616 where: short stacking energy: -405.384 Base-Backbone interact. energy: -2.535 local terms energy: -432.969104 where: bonds (distance) C4'-P energy: -80.024 bonds (distance) P-C4' energy: -83.435 flat angles C4'-P-C4' energy: -94.209 flat angles P-C4'-P energy: -48.832 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: 3, replica: 1 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -1255.254822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.254822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.254822 (E_RNA) where: Base-Base interactions energy: -851.197 where: short stacking energy: -367.705 Base-Backbone interact. energy: -1.995 local terms energy: -402.062427 where: bonds (distance) C4'-P energy: -71.558 bonds (distance) P-C4' energy: -81.897 flat angles C4'-P-C4' energy: -81.662 flat angles P-C4'-P energy: -56.504 tors. eta vs tors. theta energy: -110.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -1204.708365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.708365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.708365 (E_RNA) where: Base-Base interactions energy: -824.300 where: short stacking energy: -352.070 Base-Backbone interact. energy: -0.658 local terms energy: -379.750248 where: bonds (distance) C4'-P energy: -70.092 bonds (distance) P-C4' energy: -73.588 flat angles C4'-P-C4' energy: -78.516 flat angles P-C4'-P energy: -53.620 tors. eta vs tors. theta energy: -103.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -1105.499653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.499653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.499653 (E_RNA) where: Base-Base interactions energy: -733.122 where: short stacking energy: -305.426 Base-Backbone interact. energy: -1.925 local terms energy: -370.453111 where: bonds (distance) C4'-P energy: -77.377 bonds (distance) P-C4' energy: -74.514 flat angles C4'-P-C4' energy: -79.640 flat angles P-C4'-P energy: -55.620 tors. eta vs tors. theta energy: -83.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -937.137153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.137153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.137153 (E_RNA) where: Base-Base interactions energy: -610.011 where: short stacking energy: -271.287 Base-Backbone interact. energy: -3.385 local terms energy: -323.741415 where: bonds (distance) C4'-P energy: -71.106 bonds (distance) P-C4' energy: -71.951 flat angles C4'-P-C4' energy: -70.863 flat angles P-C4'-P energy: -49.056 tors. eta vs tors. theta energy: -60.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -926.031042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.031042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.031042 (E_RNA) where: Base-Base interactions energy: -603.537 where: short stacking energy: -243.127 Base-Backbone interact. energy: -1.869 local terms energy: -320.624831 where: bonds (distance) C4'-P energy: -78.707 bonds (distance) P-C4' energy: -74.150 flat angles C4'-P-C4' energy: -74.315 flat angles P-C4'-P energy: -38.543 tors. eta vs tors. theta energy: -54.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -615.646133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.646133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.646133 (E_RNA) where: Base-Base interactions energy: -346.493 where: short stacking energy: -182.503 Base-Backbone interact. energy: -0.254 local terms energy: -268.898855 where: bonds (distance) C4'-P energy: -59.834 bonds (distance) P-C4' energy: -75.606 flat angles C4'-P-C4' energy: -58.587 flat angles P-C4'-P energy: -54.681 tors. eta vs tors. theta energy: -20.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -433.817021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.817021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.817021 (E_RNA) where: Base-Base interactions energy: -193.751 where: short stacking energy: -129.089 Base-Backbone interact. energy: 2.840 local terms energy: -242.906577 where: bonds (distance) C4'-P energy: -65.222 bonds (distance) P-C4' energy: -74.413 flat angles C4'-P-C4' energy: -57.409 flat angles P-C4'-P energy: -41.707 tors. eta vs tors. theta energy: -4.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -344.528631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.528631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.528631 (E_RNA) where: Base-Base interactions energy: -148.525 where: short stacking energy: -109.531 Base-Backbone interact. energy: 1.378 local terms energy: -197.382111 where: bonds (distance) C4'-P energy: -54.903 bonds (distance) P-C4' energy: -70.063 flat angles C4'-P-C4' energy: -41.179 flat angles P-C4'-P energy: -41.898 tors. eta vs tors. theta energy: 10.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -1378.601894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.601894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.601894 (E_RNA) where: Base-Base interactions energy: -961.290 where: short stacking energy: -406.003 Base-Backbone interact. energy: -0.317 local terms energy: -416.995406 where: bonds (distance) C4'-P energy: -75.055 bonds (distance) P-C4' energy: -76.696 flat angles C4'-P-C4' energy: -95.311 flat angles P-C4'-P energy: -52.615 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: 2, replica: 5 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -1304.165922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.165922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.165922 (E_RNA) where: Base-Base interactions energy: -883.564 where: short stacking energy: -392.031 Base-Backbone interact. energy: 0.782 local terms energy: -421.383896 where: bonds (distance) C4'-P energy: -77.791 bonds (distance) P-C4' energy: -82.499 flat angles C4'-P-C4' energy: -86.242 flat angles P-C4'-P energy: -68.833 tors. eta vs tors. theta energy: -106.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -1243.296438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.296438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.296438 (E_RNA) where: Base-Base interactions energy: -838.835 where: short stacking energy: -364.610 Base-Backbone interact. energy: -0.880 local terms energy: -403.581718 where: bonds (distance) C4'-P energy: -87.802 bonds (distance) P-C4' energy: -61.741 flat angles C4'-P-C4' energy: -85.561 flat angles P-C4'-P energy: -60.289 tors. eta vs tors. theta energy: -108.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -1193.022119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.022119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.022119 (E_RNA) where: Base-Base interactions energy: -803.556 where: short stacking energy: -339.912 Base-Backbone interact. energy: 0.292 local terms energy: -389.758142 where: bonds (distance) C4'-P energy: -73.283 bonds (distance) P-C4' energy: -79.391 flat angles C4'-P-C4' energy: -86.316 flat angles P-C4'-P energy: -54.065 tors. eta vs tors. theta energy: -96.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -1131.373755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.373755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.373755 (E_RNA) where: Base-Base interactions energy: -774.091 where: short stacking energy: -336.879 Base-Backbone interact. energy: 0.528 local terms energy: -357.811049 where: bonds (distance) C4'-P energy: -66.668 bonds (distance) P-C4' energy: -82.805 flat angles C4'-P-C4' energy: -73.477 flat angles P-C4'-P energy: -41.066 tors. eta vs tors. theta energy: -93.795 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: 6, replica: 6 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -955.315381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.315381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.315381 (E_RNA) where: Base-Base interactions energy: -601.387 where: short stacking energy: -265.316 Base-Backbone interact. energy: -2.949 local terms energy: -350.978966 where: bonds (distance) C4'-P energy: -72.177 bonds (distance) P-C4' energy: -80.447 flat angles C4'-P-C4' energy: -75.571 flat angles P-C4'-P energy: -48.061 tors. eta vs tors. theta energy: -74.723 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: 7 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -927.195256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.195256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.195256 (E_RNA) where: Base-Base interactions energy: -592.266 where: short stacking energy: -257.828 Base-Backbone interact. energy: 0.412 local terms energy: -335.341220 where: bonds (distance) C4'-P energy: -72.880 bonds (distance) P-C4' energy: -70.114 flat angles C4'-P-C4' energy: -89.317 flat angles P-C4'-P energy: -38.374 tors. eta vs tors. theta energy: -64.655 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: 2 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -595.211632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.211632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.211632 (E_RNA) where: Base-Base interactions energy: -330.411 where: short stacking energy: -163.780 Base-Backbone interact. energy: -1.278 local terms energy: -263.522957 where: bonds (distance) C4'-P energy: -67.639 bonds (distance) P-C4' energy: -61.931 flat angles C4'-P-C4' energy: -68.495 flat angles P-C4'-P energy: -44.632 tors. eta vs tors. theta energy: -20.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -447.518926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.518926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.518926 (E_RNA) where: Base-Base interactions energy: -220.791 where: short stacking energy: -116.375 Base-Backbone interact. energy: 0.414 local terms energy: -227.141712 where: bonds (distance) C4'-P energy: -74.045 bonds (distance) P-C4' energy: -72.174 flat angles C4'-P-C4' energy: -57.635 flat angles P-C4'-P energy: -34.501 tors. eta vs tors. theta energy: 11.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -308.998011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.998011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.998011 (E_RNA) where: Base-Base interactions energy: -102.182 where: short stacking energy: -89.467 Base-Backbone interact. energy: -0.349 local terms energy: -206.467236 where: bonds (distance) C4'-P energy: -66.127 bonds (distance) P-C4' energy: -75.822 flat angles C4'-P-C4' energy: -49.620 flat angles P-C4'-P energy: -33.135 tors. eta vs tors. theta energy: 18.237 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: 1, replica: 3 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -1382.617734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.617734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.617734 (E_RNA) where: Base-Base interactions energy: -930.501 where: short stacking energy: -398.372 Base-Backbone interact. energy: -1.772 local terms energy: -450.345158 where: bonds (distance) C4'-P energy: -84.806 bonds (distance) P-C4' energy: -89.951 flat angles C4'-P-C4' energy: -90.362 flat angles P-C4'-P energy: -61.709 tors. eta vs tors. theta energy: -123.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -1297.691041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.691041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.691041 (E_RNA) where: Base-Base interactions energy: -867.264 where: short stacking energy: -386.087 Base-Backbone interact. energy: -1.968 local terms energy: -428.458640 where: bonds (distance) C4'-P energy: -80.939 bonds (distance) P-C4' energy: -78.361 flat angles C4'-P-C4' energy: -89.906 flat angles P-C4'-P energy: -64.337 tors. eta vs tors. theta energy: -114.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -1275.468922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.468922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.468922 (E_RNA) where: Base-Base interactions energy: -874.785 where: short stacking energy: -362.497 Base-Backbone interact. energy: -0.504 local terms energy: -400.179573 where: bonds (distance) C4'-P energy: -64.140 bonds (distance) P-C4' energy: -84.371 flat angles C4'-P-C4' energy: -86.863 flat angles P-C4'-P energy: -60.936 tors. eta vs tors. theta energy: -103.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -1200.875026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.875026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.875026 (E_RNA) where: Base-Base interactions energy: -815.134 where: short stacking energy: -358.410 Base-Backbone interact. energy: -1.331 local terms energy: -384.409959 where: bonds (distance) C4'-P energy: -80.707 bonds (distance) P-C4' energy: -79.572 flat angles C4'-P-C4' energy: -71.115 flat angles P-C4'-P energy: -46.294 tors. eta vs tors. theta energy: -106.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -1096.559590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.559590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.559590 (E_RNA) where: Base-Base interactions energy: -740.508 where: short stacking energy: -294.735 Base-Backbone interact. energy: -0.114 local terms energy: -355.937470 where: bonds (distance) C4'-P energy: -62.959 bonds (distance) P-C4' energy: -81.363 flat angles C4'-P-C4' energy: -79.495 flat angles P-C4'-P energy: -58.154 tors. eta vs tors. theta energy: -73.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -922.581441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.581441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.581441 (E_RNA) where: Base-Base interactions energy: -628.726 where: short stacking energy: -257.262 Base-Backbone interact. energy: -1.216 local terms energy: -292.639419 where: bonds (distance) C4'-P energy: -61.758 bonds (distance) P-C4' energy: -67.599 flat angles C4'-P-C4' energy: -69.944 flat angles P-C4'-P energy: -44.625 tors. eta vs tors. theta energy: -48.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -945.759497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.759497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.759497 (E_RNA) where: Base-Base interactions energy: -609.733 where: short stacking energy: -259.142 Base-Backbone interact. energy: 0.052 local terms energy: -336.078520 where: bonds (distance) C4'-P energy: -60.185 bonds (distance) P-C4' energy: -69.898 flat angles C4'-P-C4' energy: -87.947 flat angles P-C4'-P energy: -48.344 tors. eta vs tors. theta energy: -69.705 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: 8, replica: 2 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -616.972250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.972250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.972250 (E_RNA) where: Base-Base interactions energy: -346.469 where: short stacking energy: -181.241 Base-Backbone interact. energy: -0.575 local terms energy: -269.928501 where: bonds (distance) C4'-P energy: -68.087 bonds (distance) P-C4' energy: -77.707 flat angles C4'-P-C4' energy: -62.228 flat angles P-C4'-P energy: -40.372 tors. eta vs tors. theta energy: -21.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -479.285038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.285038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.285038 (E_RNA) where: Base-Base interactions energy: -230.950 where: short stacking energy: -151.391 Base-Backbone interact. energy: 0.983 local terms energy: -249.318123 where: bonds (distance) C4'-P energy: -76.105 bonds (distance) P-C4' energy: -72.051 flat angles C4'-P-C4' energy: -66.966 flat angles P-C4'-P energy: -26.395 tors. eta vs tors. theta energy: -7.801 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: 10, replica: 10 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -360.519107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.519107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.519107 (E_RNA) where: Base-Base interactions energy: -117.465 where: short stacking energy: -103.352 Base-Backbone interact. energy: 1.615 local terms energy: -244.668675 where: bonds (distance) C4'-P energy: -71.281 bonds (distance) P-C4' energy: -78.243 flat angles C4'-P-C4' energy: -65.656 flat angles P-C4'-P energy: -35.537 tors. eta vs tors. theta energy: 6.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -1389.689641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.689641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.689641 (E_RNA) where: Base-Base interactions energy: -938.329 where: short stacking energy: -382.348 Base-Backbone interact. energy: -1.349 local terms energy: -450.011601 where: bonds (distance) C4'-P energy: -89.429 bonds (distance) P-C4' energy: -92.807 flat angles C4'-P-C4' energy: -91.458 flat angles P-C4'-P energy: -51.911 tors. eta vs tors. theta energy: -124.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -1291.716574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.716574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.716574 (E_RNA) where: Base-Base interactions energy: -848.880 where: short stacking energy: -369.933 Base-Backbone interact. energy: -1.804 local terms energy: -441.032083 where: bonds (distance) C4'-P energy: -90.748 bonds (distance) P-C4' energy: -81.288 flat angles C4'-P-C4' energy: -92.920 flat angles P-C4'-P energy: -58.103 tors. eta vs tors. theta energy: -117.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -1265.714771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.714771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.714771 (E_RNA) where: Base-Base interactions energy: -855.513 where: short stacking energy: -361.460 Base-Backbone interact. energy: 0.115 local terms energy: -410.316060 where: bonds (distance) C4'-P energy: -73.042 bonds (distance) P-C4' energy: -73.978 flat angles C4'-P-C4' energy: -94.174 flat angles P-C4'-P energy: -60.982 tors. eta vs tors. theta energy: -108.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -1200.968448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.968448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.968448 (E_RNA) where: Base-Base interactions energy: -822.778 where: short stacking energy: -382.183 Base-Backbone interact. energy: -1.463 local terms energy: -376.727433 where: bonds (distance) C4'-P energy: -59.845 bonds (distance) P-C4' energy: -74.882 flat angles C4'-P-C4' energy: -80.867 flat angles P-C4'-P energy: -44.976 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: 5, replica: 8 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -1099.654211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.654211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.654211 (E_RNA) where: Base-Base interactions energy: -742.885 where: short stacking energy: -306.998 Base-Backbone interact. energy: -1.104 local terms energy: -355.665787 where: bonds (distance) C4'-P energy: -78.582 bonds (distance) P-C4' energy: -76.592 flat angles C4'-P-C4' energy: -71.397 flat angles P-C4'-P energy: -46.951 tors. eta vs tors. theta energy: -82.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -925.708792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.708792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.708792 (E_RNA) where: Base-Base interactions energy: -590.953 where: short stacking energy: -269.072 Base-Backbone interact. energy: -0.618 local terms energy: -334.138469 where: bonds (distance) C4'-P energy: -69.365 bonds (distance) P-C4' energy: -72.562 flat angles C4'-P-C4' energy: -68.537 flat angles P-C4'-P energy: -54.704 tors. eta vs tors. theta energy: -68.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -906.740460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.740460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.740460 (E_RNA) where: Base-Base interactions energy: -585.538 where: short stacking energy: -269.156 Base-Backbone interact. energy: -0.872 local terms energy: -320.331074 where: bonds (distance) C4'-P energy: -58.181 bonds (distance) P-C4' energy: -74.617 flat angles C4'-P-C4' energy: -74.980 flat angles P-C4'-P energy: -50.374 tors. eta vs tors. theta energy: -62.178 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: 2 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -673.552658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.552658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.552658 (E_RNA) where: Base-Base interactions energy: -393.922 where: short stacking energy: -192.474 Base-Backbone interact. energy: -3.642 local terms energy: -275.988894 where: bonds (distance) C4'-P energy: -68.931 bonds (distance) P-C4' energy: -67.320 flat angles C4'-P-C4' energy: -67.528 flat angles P-C4'-P energy: -29.535 tors. eta vs tors. theta energy: -42.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -447.911631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.911631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.911631 (E_RNA) where: Base-Base interactions energy: -225.529 where: short stacking energy: -139.149 Base-Backbone interact. energy: -0.304 local terms energy: -222.078980 where: bonds (distance) C4'-P energy: -65.587 bonds (distance) P-C4' energy: -61.236 flat angles C4'-P-C4' energy: -65.583 flat angles P-C4'-P energy: -42.379 tors. eta vs tors. theta energy: 12.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -313.533053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.533053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.533053 (E_RNA) where: Base-Base interactions energy: -91.314 where: short stacking energy: -82.742 Base-Backbone interact. energy: 0.414 local terms energy: -222.632860 where: bonds (distance) C4'-P energy: -69.984 bonds (distance) P-C4' energy: -69.189 flat angles C4'-P-C4' energy: -64.781 flat angles P-C4'-P energy: -34.938 tors. eta vs tors. theta energy: 16.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -1386.187939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.187939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.187939 (E_RNA) where: Base-Base interactions energy: -975.415 where: short stacking energy: -420.779 Base-Backbone interact. energy: -2.190 local terms energy: -408.582705 where: bonds (distance) C4'-P energy: -67.577 bonds (distance) P-C4' energy: -74.319 flat angles C4'-P-C4' energy: -90.906 flat angles P-C4'-P energy: -58.692 tors. eta vs tors. theta energy: -117.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -1308.531585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.531585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.531585 (E_RNA) where: Base-Base interactions energy: -863.943 where: short stacking energy: -383.218 Base-Backbone interact. energy: 0.282 local terms energy: -444.870964 where: bonds (distance) C4'-P energy: -81.660 bonds (distance) P-C4' energy: -88.837 flat angles C4'-P-C4' energy: -94.201 flat angles P-C4'-P energy: -57.155 tors. eta vs tors. theta energy: -123.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -1252.395516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.395516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.395516 (E_RNA) where: Base-Base interactions energy: -838.228 where: short stacking energy: -349.420 Base-Backbone interact. energy: -3.777 local terms energy: -410.390080 where: bonds (distance) C4'-P energy: -80.850 bonds (distance) P-C4' energy: -78.559 flat angles C4'-P-C4' energy: -93.142 flat angles P-C4'-P energy: -56.825 tors. eta vs tors. theta energy: -101.014 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: 9 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -1201.278902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.278902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.278902 (E_RNA) where: Base-Base interactions energy: -812.596 where: short stacking energy: -335.101 Base-Backbone interact. energy: -1.308 local terms energy: -387.374490 where: bonds (distance) C4'-P energy: -81.988 bonds (distance) P-C4' energy: -82.491 flat angles C4'-P-C4' energy: -78.307 flat angles P-C4'-P energy: -42.168 tors. eta vs tors. theta energy: -102.420 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: 8 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -1080.217981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.217981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.217981 (E_RNA) where: Base-Base interactions energy: -724.894 where: short stacking energy: -315.027 Base-Backbone interact. energy: -1.208 local terms energy: -354.115478 where: bonds (distance) C4'-P energy: -71.791 bonds (distance) P-C4' energy: -62.715 flat angles C4'-P-C4' energy: -76.853 flat angles P-C4'-P energy: -54.666 tors. eta vs tors. theta energy: -88.090 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: 6 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -919.225722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.225722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.225722 (E_RNA) where: Base-Base interactions energy: -591.630 where: short stacking energy: -234.227 Base-Backbone interact. energy: -2.595 local terms energy: -325.000771 where: bonds (distance) C4'-P energy: -68.290 bonds (distance) P-C4' energy: -70.808 flat angles C4'-P-C4' energy: -79.156 flat angles P-C4'-P energy: -47.143 tors. eta vs tors. theta energy: -59.604 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: 7 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -897.270164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.270164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.270164 (E_RNA) where: Base-Base interactions energy: -580.792 where: short stacking energy: -249.023 Base-Backbone interact. energy: -1.684 local terms energy: -314.794875 where: bonds (distance) C4'-P energy: -68.672 bonds (distance) P-C4' energy: -69.905 flat angles C4'-P-C4' energy: -63.785 flat angles P-C4'-P energy: -52.558 tors. eta vs tors. theta energy: -59.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -684.655408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.655408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.655408 (E_RNA) where: Base-Base interactions energy: -399.743 where: short stacking energy: -195.249 Base-Backbone interact. energy: 3.838 local terms energy: -288.749987 where: bonds (distance) C4'-P energy: -63.558 bonds (distance) P-C4' energy: -66.720 flat angles C4'-P-C4' energy: -69.844 flat angles P-C4'-P energy: -45.984 tors. eta vs tors. theta energy: -42.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -446.652782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.652782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.652782 (E_RNA) where: Base-Base interactions energy: -212.992 where: short stacking energy: -117.494 Base-Backbone interact. energy: 0.609 local terms energy: -234.270512 where: bonds (distance) C4'-P energy: -76.106 bonds (distance) P-C4' energy: -69.639 flat angles C4'-P-C4' energy: -62.373 flat angles P-C4'-P energy: -30.359 tors. eta vs tors. theta energy: 4.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -351.534136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.534136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.534136 (E_RNA) where: Base-Base interactions energy: -108.902 where: short stacking energy: -89.233 Base-Backbone interact. energy: -0.538 local terms energy: -242.093854 where: bonds (distance) C4'-P energy: -65.043 bonds (distance) P-C4' energy: -68.834 flat angles C4'-P-C4' energy: -67.591 flat angles P-C4'-P energy: -36.071 tors. eta vs tors. theta energy: -4.555 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: 1, replica: 3 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -1391.053819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.053819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.053819 (E_RNA) where: Base-Base interactions energy: -960.253 where: short stacking energy: -390.714 Base-Backbone interact. energy: -3.289 local terms energy: -427.512092 where: bonds (distance) C4'-P energy: -79.004 bonds (distance) P-C4' energy: -90.791 flat angles C4'-P-C4' energy: -79.182 flat angles P-C4'-P energy: -63.391 tors. eta vs tors. theta energy: -115.145 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: 5 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -1316.365700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.365700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.365700 (E_RNA) where: Base-Base interactions energy: -888.690 where: short stacking energy: -415.667 Base-Backbone interact. energy: -2.747 local terms energy: -424.929401 where: bonds (distance) C4'-P energy: -77.619 bonds (distance) P-C4' energy: -77.727 flat angles C4'-P-C4' energy: -87.375 flat angles P-C4'-P energy: -57.652 tors. eta vs tors. theta energy: -124.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -1270.443389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.443389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.443389 (E_RNA) where: Base-Base interactions energy: -883.378 where: short stacking energy: -378.235 Base-Backbone interact. energy: -2.183 local terms energy: -384.883071 where: bonds (distance) C4'-P energy: -73.897 bonds (distance) P-C4' energy: -75.160 flat angles C4'-P-C4' energy: -85.068 flat angles P-C4'-P energy: -41.511 tors. eta vs tors. theta energy: -109.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -1187.874857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.874857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.874857 (E_RNA) where: Base-Base interactions energy: -795.536 where: short stacking energy: -352.101 Base-Backbone interact. energy: 1.593 local terms energy: -393.931636 where: bonds (distance) C4'-P energy: -77.451 bonds (distance) P-C4' energy: -69.212 flat angles C4'-P-C4' energy: -87.968 flat angles P-C4'-P energy: -60.235 tors. eta vs tors. theta energy: -99.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -1107.512662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.512662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.512662 (E_RNA) where: Base-Base interactions energy: -762.999 where: short stacking energy: -315.516 Base-Backbone interact. energy: -2.691 local terms energy: -341.822419 where: bonds (distance) C4'-P energy: -63.685 bonds (distance) P-C4' energy: -72.507 flat angles C4'-P-C4' energy: -78.386 flat angles P-C4'-P energy: -43.699 tors. eta vs tors. theta energy: -83.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -969.895648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.895648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.895648 (E_RNA) where: Base-Base interactions energy: -637.848 where: short stacking energy: -294.536 Base-Backbone interact. energy: -2.816 local terms energy: -329.231802 where: bonds (distance) C4'-P energy: -63.209 bonds (distance) P-C4' energy: -76.390 flat angles C4'-P-C4' energy: -57.511 flat angles P-C4'-P energy: -51.565 tors. eta vs tors. theta energy: -80.558 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: 7 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -888.985755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.985755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.985755 (E_RNA) where: Base-Base interactions energy: -561.618 where: short stacking energy: -259.325 Base-Backbone interact. energy: -1.055 local terms energy: -326.313028 where: bonds (distance) C4'-P energy: -70.966 bonds (distance) P-C4' energy: -69.419 flat angles C4'-P-C4' energy: -77.440 flat angles P-C4'-P energy: -46.288 tors. eta vs tors. theta energy: -62.201 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: 2 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -639.666947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.666947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.666947 (E_RNA) where: Base-Base interactions energy: -356.065 where: short stacking energy: -165.818 Base-Backbone interact. energy: -1.097 local terms energy: -282.505355 where: bonds (distance) C4'-P energy: -78.096 bonds (distance) P-C4' energy: -69.265 flat angles C4'-P-C4' energy: -69.159 flat angles P-C4'-P energy: -41.280 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: 9, replica: 4 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -499.829623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.829623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.829623 (E_RNA) where: Base-Base interactions energy: -238.143 where: short stacking energy: -135.824 Base-Backbone interact. energy: -1.898 local terms energy: -259.788947 where: bonds (distance) C4'-P energy: -78.639 bonds (distance) P-C4' energy: -68.323 flat angles C4'-P-C4' energy: -59.623 flat angles P-C4'-P energy: -37.484 tors. eta vs tors. theta energy: -15.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -305.583491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.583491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.583491 (E_RNA) where: Base-Base interactions energy: -78.891 where: short stacking energy: -58.827 Base-Backbone interact. energy: -1.195 local terms energy: -225.497330 where: bonds (distance) C4'-P energy: -71.551 bonds (distance) P-C4' energy: -69.741 flat angles C4'-P-C4' energy: -62.534 flat angles P-C4'-P energy: -35.634 tors. eta vs tors. theta energy: 13.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -1369.221790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.221790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.221790 (E_RNA) where: Base-Base interactions energy: -943.225 where: short stacking energy: -376.421 Base-Backbone interact. energy: -2.452 local terms energy: -423.544754 where: bonds (distance) C4'-P energy: -72.834 bonds (distance) P-C4' energy: -82.015 flat angles C4'-P-C4' energy: -92.710 flat angles P-C4'-P energy: -62.521 tors. eta vs tors. theta energy: -113.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -1333.065856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.065856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.065856 (E_RNA) where: Base-Base interactions energy: -878.942 where: short stacking energy: -392.331 Base-Backbone interact. energy: -1.181 local terms energy: -452.942826 where: bonds (distance) C4'-P energy: -88.571 bonds (distance) P-C4' energy: -90.001 flat angles C4'-P-C4' energy: -95.969 flat angles P-C4'-P energy: -59.223 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: 1 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -1287.600228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.600228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.600228 (E_RNA) where: Base-Base interactions energy: -889.869 where: short stacking energy: -393.849 Base-Backbone interact. energy: -0.653 local terms energy: -397.078040 where: bonds (distance) C4'-P energy: -65.871 bonds (distance) P-C4' energy: -81.677 flat angles C4'-P-C4' energy: -78.386 flat angles P-C4'-P energy: -55.473 tors. eta vs tors. theta energy: -115.672 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: 4, replica: 9 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -1188.610046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.610046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.610046 (E_RNA) where: Base-Base interactions energy: -799.641 where: short stacking energy: -325.129 Base-Backbone interact. energy: -2.667 local terms energy: -386.302231 where: bonds (distance) C4'-P energy: -74.596 bonds (distance) P-C4' energy: -77.512 flat angles C4'-P-C4' energy: -76.707 flat angles P-C4'-P energy: -53.671 tors. eta vs tors. theta energy: -103.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -1122.813840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.813840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.813840 (E_RNA) where: Base-Base interactions energy: -752.133 where: short stacking energy: -324.356 Base-Backbone interact. energy: -2.694 local terms energy: -367.986736 where: bonds (distance) C4'-P energy: -72.411 bonds (distance) P-C4' energy: -72.550 flat angles C4'-P-C4' energy: -79.019 flat angles P-C4'-P energy: -59.606 tors. eta vs tors. theta energy: -84.400 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: 6 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -1003.301931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.301931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.301931 (E_RNA) where: Base-Base interactions energy: -656.909 where: short stacking energy: -298.846 Base-Backbone interact. energy: -3.290 local terms energy: -343.102588 where: bonds (distance) C4'-P energy: -58.823 bonds (distance) P-C4' energy: -78.941 flat angles C4'-P-C4' energy: -77.623 flat angles P-C4'-P energy: -48.724 tors. eta vs tors. theta energy: -78.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -862.583483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.583483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.583483 (E_RNA) where: Base-Base interactions energy: -573.302 where: short stacking energy: -249.721 Base-Backbone interact. energy: 0.314 local terms energy: -289.595494 where: bonds (distance) C4'-P energy: -60.515 bonds (distance) P-C4' energy: -62.582 flat angles C4'-P-C4' energy: -66.087 flat angles P-C4'-P energy: -46.667 tors. eta vs tors. theta energy: -53.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -651.895215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.895215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.895215 (E_RNA) where: Base-Base interactions energy: -359.964 where: short stacking energy: -189.227 Base-Backbone interact. energy: -1.294 local terms energy: -290.636655 where: bonds (distance) C4'-P energy: -75.620 bonds (distance) P-C4' energy: -65.188 flat angles C4'-P-C4' energy: -72.802 flat angles P-C4'-P energy: -51.046 tors. eta vs tors. theta energy: -25.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -485.223274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.223274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.223274 (E_RNA) where: Base-Base interactions energy: -244.182 where: short stacking energy: -136.431 Base-Backbone interact. energy: -1.659 local terms energy: -239.382425 where: bonds (distance) C4'-P energy: -71.241 bonds (distance) P-C4' energy: -52.098 flat angles C4'-P-C4' energy: -59.025 flat angles P-C4'-P energy: -47.327 tors. eta vs tors. theta energy: -9.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -322.736309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.736309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.736309 (E_RNA) where: Base-Base interactions energy: -102.683 where: short stacking energy: -93.331 Base-Backbone interact. energy: 4.257 local terms energy: -224.310962 where: bonds (distance) C4'-P energy: -66.935 bonds (distance) P-C4' energy: -75.758 flat angles C4'-P-C4' energy: -56.274 flat angles P-C4'-P energy: -35.347 tors. eta vs tors. theta energy: 10.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -1373.035699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.035699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.035699 (E_RNA) where: Base-Base interactions energy: -953.079 where: short stacking energy: -389.813 Base-Backbone interact. energy: 1.873 local terms energy: -421.830191 where: bonds (distance) C4'-P energy: -74.918 bonds (distance) P-C4' energy: -82.528 flat angles C4'-P-C4' energy: -90.290 flat angles P-C4'-P energy: -64.155 tors. eta vs tors. theta energy: -109.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -1298.211631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.211631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.211631 (E_RNA) where: Base-Base interactions energy: -881.611 where: short stacking energy: -390.904 Base-Backbone interact. energy: -0.032 local terms energy: -416.569189 where: bonds (distance) C4'-P energy: -79.266 bonds (distance) P-C4' energy: -76.555 flat angles C4'-P-C4' energy: -84.935 flat angles P-C4'-P energy: -56.985 tors. eta vs tors. theta energy: -118.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -1288.347288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.347288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.347288 (E_RNA) where: Base-Base interactions energy: -884.803 where: short stacking energy: -378.807 Base-Backbone interact. energy: -3.145 local terms energy: -400.399440 where: bonds (distance) C4'-P energy: -76.721 bonds (distance) P-C4' energy: -70.338 flat angles C4'-P-C4' energy: -82.404 flat angles P-C4'-P energy: -59.674 tors. eta vs tors. theta energy: -111.262 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: 9 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -1194.876403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.876403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.876403 (E_RNA) where: Base-Base interactions energy: -820.252 where: short stacking energy: -337.526 Base-Backbone interact. energy: -0.535 local terms energy: -374.089317 where: bonds (distance) C4'-P energy: -73.322 bonds (distance) P-C4' energy: -73.258 flat angles C4'-P-C4' energy: -78.798 flat angles P-C4'-P energy: -52.676 tors. eta vs tors. theta energy: -96.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -1045.623167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.623167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.623167 (E_RNA) where: Base-Base interactions energy: -688.346 where: short stacking energy: -303.030 Base-Backbone interact. energy: 0.511 local terms energy: -357.788650 where: bonds (distance) C4'-P energy: -76.444 bonds (distance) P-C4' energy: -66.433 flat angles C4'-P-C4' energy: -84.889 flat angles P-C4'-P energy: -52.364 tors. eta vs tors. theta energy: -77.658 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: 6, replica: 8 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -1052.335376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.335376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.335376 (E_RNA) where: Base-Base interactions energy: -722.062 where: short stacking energy: -305.030 Base-Backbone interact. energy: -2.065 local terms energy: -328.207651 where: bonds (distance) C4'-P energy: -62.041 bonds (distance) P-C4' energy: -67.713 flat angles C4'-P-C4' energy: -78.073 flat angles P-C4'-P energy: -40.706 tors. eta vs tors. theta energy: -79.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -861.357745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.357745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.357745 (E_RNA) where: Base-Base interactions energy: -552.383 where: short stacking energy: -259.909 Base-Backbone interact. energy: 1.199 local terms energy: -310.173712 where: bonds (distance) C4'-P energy: -79.022 bonds (distance) P-C4' energy: -59.998 flat angles C4'-P-C4' energy: -68.161 flat angles P-C4'-P energy: -43.481 tors. eta vs tors. theta energy: -59.511 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: 2 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -671.240170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.240170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.240170 (E_RNA) where: Base-Base interactions energy: -385.155 where: short stacking energy: -182.431 Base-Backbone interact. energy: 2.541 local terms energy: -288.626098 where: bonds (distance) C4'-P energy: -80.817 bonds (distance) P-C4' energy: -63.767 flat angles C4'-P-C4' energy: -66.032 flat angles P-C4'-P energy: -41.333 tors. eta vs tors. theta energy: -36.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -512.570892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.570892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.570892 (E_RNA) where: Base-Base interactions energy: -248.901 where: short stacking energy: -147.998 Base-Backbone interact. energy: 3.209 local terms energy: -266.878895 where: bonds (distance) C4'-P energy: -62.771 bonds (distance) P-C4' energy: -78.040 flat angles C4'-P-C4' energy: -75.664 flat angles P-C4'-P energy: -29.730 tors. eta vs tors. theta energy: -20.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -324.274040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.274040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.274040 (E_RNA) where: Base-Base interactions energy: -106.720 where: short stacking energy: -94.432 Base-Backbone interact. energy: -0.638 local terms energy: -216.916065 where: bonds (distance) C4'-P energy: -61.574 bonds (distance) P-C4' energy: -71.813 flat angles C4'-P-C4' energy: -51.854 flat angles P-C4'-P energy: -38.123 tors. eta vs tors. theta energy: 6.448 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: 209 Temperature: 0.900000 Total energy: -1387.081278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.081278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.081278 (E_RNA) where: Base-Base interactions energy: -961.301 where: short stacking energy: -370.627 Base-Backbone interact. energy: -1.419 local terms energy: -424.361812 where: bonds (distance) C4'-P energy: -88.145 bonds (distance) P-C4' energy: -83.560 flat angles C4'-P-C4' energy: -86.747 flat angles P-C4'-P energy: -58.258 tors. eta vs tors. theta energy: -107.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -1331.123779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.123779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.123779 (E_RNA) where: Base-Base interactions energy: -894.602 where: short stacking energy: -385.693 Base-Backbone interact. energy: 1.328 local terms energy: -437.849222 where: bonds (distance) C4'-P energy: -85.278 bonds (distance) P-C4' energy: -85.015 flat angles C4'-P-C4' energy: -88.093 flat angles P-C4'-P energy: -58.591 tors. eta vs tors. theta energy: -120.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -1272.531611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.531611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.531611 (E_RNA) where: Base-Base interactions energy: -877.146 where: short stacking energy: -374.381 Base-Backbone interact. energy: 3.623 local terms energy: -399.008417 where: bonds (distance) C4'-P energy: -65.349 bonds (distance) P-C4' energy: -78.987 flat angles C4'-P-C4' energy: -85.327 flat angles P-C4'-P energy: -59.381 tors. eta vs tors. theta energy: -109.964 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: 4, replica: 9 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -1241.428731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.428731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.428731 (E_RNA) where: Base-Base interactions energy: -837.895 where: short stacking energy: -365.999 Base-Backbone interact. energy: -0.350 local terms energy: -403.184023 where: bonds (distance) C4'-P energy: -66.738 bonds (distance) P-C4' energy: -80.628 flat angles C4'-P-C4' energy: -87.373 flat angles P-C4'-P energy: -52.654 tors. eta vs tors. theta energy: -115.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -1024.347091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.347091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.347091 (E_RNA) where: Base-Base interactions energy: -682.983 where: short stacking energy: -290.084 Base-Backbone interact. energy: -0.757 local terms energy: -340.607453 where: bonds (distance) C4'-P energy: -71.251 bonds (distance) P-C4' energy: -76.590 flat angles C4'-P-C4' energy: -68.612 flat angles P-C4'-P energy: -46.656 tors. eta vs tors. theta energy: -77.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -1072.163702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.163702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.163702 (E_RNA) where: Base-Base interactions energy: -731.183 where: short stacking energy: -327.510 Base-Backbone interact. energy: -1.373 local terms energy: -339.608319 where: bonds (distance) C4'-P energy: -68.941 bonds (distance) P-C4' energy: -63.855 flat angles C4'-P-C4' energy: -83.218 flat angles P-C4'-P energy: -36.062 tors. eta vs tors. theta energy: -87.532 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: 7 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -832.452340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.452340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.452340 (E_RNA) where: Base-Base interactions energy: -511.914 where: short stacking energy: -221.958 Base-Backbone interact. energy: -2.207 local terms energy: -318.331350 where: bonds (distance) C4'-P energy: -79.012 bonds (distance) P-C4' energy: -67.140 flat angles C4'-P-C4' energy: -82.219 flat angles P-C4'-P energy: -38.466 tors. eta vs tors. theta energy: -51.494 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: 8, replica: 2 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -732.588882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.588882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.588882 (E_RNA) where: Base-Base interactions energy: -459.728 where: short stacking energy: -217.368 Base-Backbone interact. energy: 1.211 local terms energy: -274.072100 where: bonds (distance) C4'-P energy: -76.253 bonds (distance) P-C4' energy: -57.936 flat angles C4'-P-C4' energy: -68.221 flat angles P-C4'-P energy: -33.837 tors. eta vs tors. theta energy: -37.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -474.963476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.963476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.963476 (E_RNA) where: Base-Base interactions energy: -235.538 where: short stacking energy: -137.545 Base-Backbone interact. energy: -1.168 local terms energy: -238.257471 where: bonds (distance) C4'-P energy: -66.056 bonds (distance) P-C4' energy: -69.712 flat angles C4'-P-C4' energy: -59.014 flat angles P-C4'-P energy: -36.356 tors. eta vs tors. theta energy: -7.119 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: 10 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -325.334523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.334523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.334523 (E_RNA) where: Base-Base interactions energy: -109.019 where: short stacking energy: -91.284 Base-Backbone interact. energy: 0.390 local terms energy: -216.705101 where: bonds (distance) C4'-P energy: -53.923 bonds (distance) P-C4' energy: -76.966 flat angles C4'-P-C4' energy: -65.520 flat angles P-C4'-P energy: -37.151 tors. eta vs tors. theta energy: 16.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -1386.739511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.739511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.739511 (E_RNA) where: Base-Base interactions energy: -949.713 where: short stacking energy: -387.729 Base-Backbone interact. energy: -2.120 local terms energy: -434.906466 where: bonds (distance) C4'-P energy: -89.401 bonds (distance) P-C4' energy: -79.223 flat angles C4'-P-C4' energy: -91.963 flat angles P-C4'-P energy: -58.494 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: 5 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -1310.558911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.558911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.558911 (E_RNA) where: Base-Base interactions energy: -881.345 where: short stacking energy: -382.509 Base-Backbone interact. energy: -2.488 local terms energy: -426.725678 where: bonds (distance) C4'-P energy: -77.012 bonds (distance) P-C4' energy: -81.588 flat angles C4'-P-C4' energy: -97.850 flat angles P-C4'-P energy: -56.425 tors. eta vs tors. theta energy: -113.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -1268.234411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.234411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.234411 (E_RNA) where: Base-Base interactions energy: -877.482 where: short stacking energy: -373.984 Base-Backbone interact. energy: 2.413 local terms energy: -393.165918 where: bonds (distance) C4'-P energy: -58.274 bonds (distance) P-C4' energy: -80.229 flat angles C4'-P-C4' energy: -84.687 flat angles P-C4'-P energy: -62.171 tors. eta vs tors. theta energy: -107.805 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: 9 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -1198.505361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.505361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.505361 (E_RNA) where: Base-Base interactions energy: -803.698 where: short stacking energy: -333.980 Base-Backbone interact. energy: -0.388 local terms energy: -394.419406 where: bonds (distance) C4'-P energy: -75.048 bonds (distance) P-C4' energy: -72.248 flat angles C4'-P-C4' energy: -82.468 flat angles P-C4'-P energy: -62.244 tors. eta vs tors. theta energy: -102.411 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: 5, replica: 8 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -1088.778183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.778183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.778183 (E_RNA) where: Base-Base interactions energy: -719.167 where: short stacking energy: -309.612 Base-Backbone interact. energy: -2.410 local terms energy: -367.202026 where: bonds (distance) C4'-P energy: -77.940 bonds (distance) P-C4' energy: -73.544 flat angles C4'-P-C4' energy: -76.756 flat angles P-C4'-P energy: -46.267 tors. eta vs tors. theta energy: -92.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -967.850950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.850950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.850950 (E_RNA) where: Base-Base interactions energy: -634.553 where: short stacking energy: -269.021 Base-Backbone interact. energy: -1.514 local terms energy: -331.783707 where: bonds (distance) C4'-P energy: -71.455 bonds (distance) P-C4' energy: -70.070 flat angles C4'-P-C4' energy: -85.711 flat angles P-C4'-P energy: -48.982 tors. eta vs tors. theta energy: -55.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -879.941420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.941420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.941420 (E_RNA) where: Base-Base interactions energy: -565.101 where: short stacking energy: -242.409 Base-Backbone interact. energy: -1.113 local terms energy: -313.726989 where: bonds (distance) C4'-P energy: -69.675 bonds (distance) P-C4' energy: -66.304 flat angles C4'-P-C4' energy: -72.332 flat angles P-C4'-P energy: -49.802 tors. eta vs tors. theta energy: -55.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -723.547232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.547232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.547232 (E_RNA) where: Base-Base interactions energy: -462.033 where: short stacking energy: -214.050 Base-Backbone interact. energy: 0.455 local terms energy: -261.969326 where: bonds (distance) C4'-P energy: -63.303 bonds (distance) P-C4' energy: -69.753 flat angles C4'-P-C4' energy: -65.547 flat angles P-C4'-P energy: -32.046 tors. eta vs tors. theta energy: -31.320 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: 4 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -472.086266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.086266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.086266 (E_RNA) where: Base-Base interactions energy: -229.033 where: short stacking energy: -112.319 Base-Backbone interact. energy: 0.944 local terms energy: -243.998063 where: bonds (distance) C4'-P energy: -72.811 bonds (distance) P-C4' energy: -69.439 flat angles C4'-P-C4' energy: -51.774 flat angles P-C4'-P energy: -42.005 tors. eta vs tors. theta energy: -7.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -326.618413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.618413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.618413 (E_RNA) where: Base-Base interactions energy: -107.460 where: short stacking energy: -81.400 Base-Backbone interact. energy: -0.419 local terms energy: -218.739853 where: bonds (distance) C4'-P energy: -69.113 bonds (distance) P-C4' energy: -86.712 flat angles C4'-P-C4' energy: -38.998 flat angles P-C4'-P energy: -36.388 tors. eta vs tors. theta energy: 12.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -1384.085098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.085098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.085098 (E_RNA) where: Base-Base interactions energy: -950.574 where: short stacking energy: -405.293 Base-Backbone interact. energy: -0.630 local terms energy: -432.880606 where: bonds (distance) C4'-P energy: -75.425 bonds (distance) P-C4' energy: -86.027 flat angles C4'-P-C4' energy: -96.629 flat angles P-C4'-P energy: -59.963 tors. eta vs tors. theta energy: -114.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -1304.508579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.508579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.508579 (E_RNA) where: Base-Base interactions energy: -881.413 where: short stacking energy: -377.576 Base-Backbone interact. energy: 0.933 local terms energy: -424.029046 where: bonds (distance) C4'-P energy: -81.198 bonds (distance) P-C4' energy: -80.661 flat angles C4'-P-C4' energy: -94.085 flat angles P-C4'-P energy: -56.256 tors. eta vs tors. theta energy: -111.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -1290.553493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.553493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.553493 (E_RNA) where: Base-Base interactions energy: -860.417 where: short stacking energy: -369.558 Base-Backbone interact. energy: -1.718 local terms energy: -428.418862 where: bonds (distance) C4'-P energy: -89.076 bonds (distance) P-C4' energy: -74.514 flat angles C4'-P-C4' energy: -93.267 flat angles P-C4'-P energy: -60.701 tors. eta vs tors. theta energy: -110.861 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: 9 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -1128.684833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.684833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.684833 (E_RNA) where: Base-Base interactions energy: -758.495 where: short stacking energy: -316.791 Base-Backbone interact. energy: -1.122 local terms energy: -369.067816 where: bonds (distance) C4'-P energy: -61.540 bonds (distance) P-C4' energy: -75.264 flat angles C4'-P-C4' energy: -89.337 flat angles P-C4'-P energy: -49.251 tors. eta vs tors. theta energy: -93.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -1100.595109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.595109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.595109 (E_RNA) where: Base-Base interactions energy: -735.331 where: short stacking energy: -326.446 Base-Backbone interact. energy: -0.910 local terms energy: -364.354095 where: bonds (distance) C4'-P energy: -66.543 bonds (distance) P-C4' energy: -72.845 flat angles C4'-P-C4' energy: -72.949 flat angles P-C4'-P energy: -55.928 tors. eta vs tors. theta energy: -96.089 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: 6 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -1013.202409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.202409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.202409 (E_RNA) where: Base-Base interactions energy: -685.061 where: short stacking energy: -286.272 Base-Backbone interact. energy: -1.206 local terms energy: -326.935383 where: bonds (distance) C4'-P energy: -66.947 bonds (distance) P-C4' energy: -61.948 flat angles C4'-P-C4' energy: -82.933 flat angles P-C4'-P energy: -40.890 tors. eta vs tors. theta energy: -74.218 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: 7, replica: 7 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -852.837736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.837736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.837736 (E_RNA) where: Base-Base interactions energy: -564.643 where: short stacking energy: -277.168 Base-Backbone interact. energy: 3.076 local terms energy: -291.270651 where: bonds (distance) C4'-P energy: -44.071 bonds (distance) P-C4' energy: -71.182 flat angles C4'-P-C4' energy: -70.016 flat angles P-C4'-P energy: -39.943 tors. eta vs tors. theta energy: -66.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -716.076089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.076089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.076089 (E_RNA) where: Base-Base interactions energy: -458.592 where: short stacking energy: -199.080 Base-Backbone interact. energy: 4.237 local terms energy: -261.721103 where: bonds (distance) C4'-P energy: -62.000 bonds (distance) P-C4' energy: -54.525 flat angles C4'-P-C4' energy: -71.110 flat angles P-C4'-P energy: -43.856 tors. eta vs tors. theta energy: -30.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -484.275259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.275259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.275259 (E_RNA) where: Base-Base interactions energy: -237.389 where: short stacking energy: -125.348 Base-Backbone interact. energy: 1.774 local terms energy: -248.660164 where: bonds (distance) C4'-P energy: -65.329 bonds (distance) P-C4' energy: -63.056 flat angles C4'-P-C4' energy: -69.595 flat angles P-C4'-P energy: -40.152 tors. eta vs tors. theta energy: -10.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -327.997523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.997523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.997523 (E_RNA) where: Base-Base interactions energy: -109.340 where: short stacking energy: -96.636 Base-Backbone interact. energy: -0.691 local terms energy: -217.967010 where: bonds (distance) C4'-P energy: -70.769 bonds (distance) P-C4' energy: -60.249 flat angles C4'-P-C4' energy: -74.345 flat angles P-C4'-P energy: -27.939 tors. eta vs tors. theta energy: 15.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -1401.987600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.987600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.987600 (E_RNA) where: Base-Base interactions energy: -967.121 where: short stacking energy: -378.850 Base-Backbone interact. energy: -2.684 local terms energy: -432.183040 where: bonds (distance) C4'-P energy: -86.599 bonds (distance) P-C4' energy: -89.586 flat angles C4'-P-C4' energy: -86.376 flat angles P-C4'-P energy: -55.551 tors. eta vs tors. theta energy: -114.071 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: 2, replica: 1 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -1311.419017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.419017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.419017 (E_RNA) where: Base-Base interactions energy: -893.391 where: short stacking energy: -404.664 Base-Backbone interact. energy: -0.254 local terms energy: -417.773781 where: bonds (distance) C4'-P energy: -68.628 bonds (distance) P-C4' energy: -83.562 flat angles C4'-P-C4' energy: -87.989 flat angles P-C4'-P energy: -62.078 tors. eta vs tors. theta energy: -115.517 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: 5 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -1270.890561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.890561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.890561 (E_RNA) where: Base-Base interactions energy: -867.274 where: short stacking energy: -387.516 Base-Backbone interact. energy: -1.434 local terms energy: -402.182772 where: bonds (distance) C4'-P energy: -76.247 bonds (distance) P-C4' energy: -67.404 flat angles C4'-P-C4' energy: -85.207 flat angles P-C4'-P energy: -57.768 tors. eta vs tors. theta energy: -115.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -1163.942723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.942723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.942723 (E_RNA) where: Base-Base interactions energy: -783.507 where: short stacking energy: -344.699 Base-Backbone interact. energy: -0.876 local terms energy: -379.560321 where: bonds (distance) C4'-P energy: -67.569 bonds (distance) P-C4' energy: -78.089 flat angles C4'-P-C4' energy: -78.453 flat angles P-C4'-P energy: -51.947 tors. eta vs tors. theta energy: -103.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -1117.832793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.832793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.832793 (E_RNA) where: Base-Base interactions energy: -752.524 where: short stacking energy: -321.734 Base-Backbone interact. energy: 0.371 local terms energy: -365.679173 where: bonds (distance) C4'-P energy: -76.768 bonds (distance) P-C4' energy: -66.442 flat angles C4'-P-C4' energy: -77.321 flat angles P-C4'-P energy: -53.798 tors. eta vs tors. theta energy: -91.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -1002.696815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.696815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.696815 (E_RNA) where: Base-Base interactions energy: -674.954 where: short stacking energy: -281.613 Base-Backbone interact. energy: -1.812 local terms energy: -325.931154 where: bonds (distance) C4'-P energy: -67.167 bonds (distance) P-C4' energy: -74.897 flat angles C4'-P-C4' energy: -76.859 flat angles P-C4'-P energy: -44.278 tors. eta vs tors. theta energy: -62.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -858.862725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.862725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.862725 (E_RNA) where: Base-Base interactions energy: -534.931 where: short stacking energy: -260.106 Base-Backbone interact. energy: 2.078 local terms energy: -326.010284 where: bonds (distance) C4'-P energy: -57.262 bonds (distance) P-C4' energy: -71.993 flat angles C4'-P-C4' energy: -68.766 flat angles P-C4'-P energy: -56.165 tors. eta vs tors. theta energy: -71.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -746.307121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.307121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.307121 (E_RNA) where: Base-Base interactions energy: -421.566 where: short stacking energy: -190.168 Base-Backbone interact. energy: -0.803 local terms energy: -323.938003 where: bonds (distance) C4'-P energy: -75.993 bonds (distance) P-C4' energy: -67.048 flat angles C4'-P-C4' energy: -82.069 flat angles P-C4'-P energy: -52.085 tors. eta vs tors. theta energy: -46.742 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: 4 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -454.800794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.800794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.800794 (E_RNA) where: Base-Base interactions energy: -215.626 where: short stacking energy: -131.026 Base-Backbone interact. energy: -0.738 local terms energy: -238.435904 where: bonds (distance) C4'-P energy: -60.886 bonds (distance) P-C4' energy: -77.328 flat angles C4'-P-C4' energy: -59.918 flat angles P-C4'-P energy: -21.749 tors. eta vs tors. theta energy: -18.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -316.366724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.366724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.366724 (E_RNA) where: Base-Base interactions energy: -99.710 where: short stacking energy: -89.198 Base-Backbone interact. energy: 1.374 local terms energy: -218.030576 where: bonds (distance) C4'-P energy: -65.532 bonds (distance) P-C4' energy: -72.097 flat angles C4'-P-C4' energy: -60.935 flat angles P-C4'-P energy: -30.817 tors. eta vs tors. theta energy: 11.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -1377.898844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.898844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.898844 (E_RNA) where: Base-Base interactions energy: -957.038 where: short stacking energy: -389.041 Base-Backbone interact. energy: -3.518 local terms energy: -417.342571 where: bonds (distance) C4'-P energy: -79.854 bonds (distance) P-C4' energy: -85.825 flat angles C4'-P-C4' energy: -80.500 flat angles P-C4'-P energy: -57.493 tors. eta vs tors. theta energy: -113.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -1335.165094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.165094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.165094 (E_RNA) where: Base-Base interactions energy: -894.335 where: short stacking energy: -377.136 Base-Backbone interact. energy: -3.668 local terms energy: -437.162147 where: bonds (distance) C4'-P energy: -79.787 bonds (distance) P-C4' energy: -89.617 flat angles C4'-P-C4' energy: -90.793 flat angles P-C4'-P energy: -60.274 tors. eta vs tors. theta energy: -116.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -1281.357831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.357831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.357831 (E_RNA) where: Base-Base interactions energy: -871.545 where: short stacking energy: -381.456 Base-Backbone interact. energy: -0.239 local terms energy: -409.573492 where: bonds (distance) C4'-P energy: -69.199 bonds (distance) P-C4' energy: -79.525 flat angles C4'-P-C4' energy: -84.133 flat angles P-C4'-P energy: -62.282 tors. eta vs tors. theta energy: -114.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -1187.602345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.602345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.602345 (E_RNA) where: Base-Base interactions energy: -799.308 where: short stacking energy: -337.831 Base-Backbone interact. energy: -0.711 local terms energy: -387.582618 where: bonds (distance) C4'-P energy: -77.835 bonds (distance) P-C4' energy: -70.374 flat angles C4'-P-C4' energy: -82.237 flat angles P-C4'-P energy: -56.352 tors. eta vs tors. theta energy: -100.784 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: 8 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -1149.189086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.189086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.189086 (E_RNA) where: Base-Base interactions energy: -771.457 where: short stacking energy: -313.970 Base-Backbone interact. energy: -1.058 local terms energy: -376.673657 where: bonds (distance) C4'-P energy: -72.489 bonds (distance) P-C4' energy: -91.928 flat angles C4'-P-C4' energy: -76.263 flat angles P-C4'-P energy: -42.525 tors. eta vs tors. theta energy: -93.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -1017.301649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.301649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.301649 (E_RNA) where: Base-Base interactions energy: -683.929 where: short stacking energy: -287.639 Base-Backbone interact. energy: 2.035 local terms energy: -335.407652 where: bonds (distance) C4'-P energy: -65.489 bonds (distance) P-C4' energy: -76.084 flat angles C4'-P-C4' energy: -71.223 flat angles P-C4'-P energy: -45.298 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: 7 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -903.889839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.889839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.889839 (E_RNA) where: Base-Base interactions energy: -624.396 where: short stacking energy: -270.401 Base-Backbone interact. energy: -1.999 local terms energy: -277.494767 where: bonds (distance) C4'-P energy: -54.224 bonds (distance) P-C4' energy: -57.719 flat angles C4'-P-C4' energy: -61.070 flat angles P-C4'-P energy: -42.123 tors. eta vs tors. theta energy: -62.359 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: 2 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -752.903116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.903116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.903116 (E_RNA) where: Base-Base interactions energy: -439.252 where: short stacking energy: -221.308 Base-Backbone interact. energy: -1.711 local terms energy: -311.940777 where: bonds (distance) C4'-P energy: -70.750 bonds (distance) P-C4' energy: -82.007 flat angles C4'-P-C4' energy: -78.349 flat angles P-C4'-P energy: -40.839 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: 9, replica: 4 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -517.592943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.592943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.592943 (E_RNA) where: Base-Base interactions energy: -255.715 where: short stacking energy: -138.639 Base-Backbone interact. energy: 0.067 local terms energy: -261.944304 where: bonds (distance) C4'-P energy: -74.776 bonds (distance) P-C4' energy: -62.757 flat angles C4'-P-C4' energy: -65.393 flat angles P-C4'-P energy: -40.419 tors. eta vs tors. theta energy: -18.600 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: 10 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -336.196420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.196420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.196420 (E_RNA) where: Base-Base interactions energy: -125.220 where: short stacking energy: -114.677 Base-Backbone interact. energy: 5.583 local terms energy: -216.559374 where: bonds (distance) C4'-P energy: -57.185 bonds (distance) P-C4' energy: -73.485 flat angles C4'-P-C4' energy: -59.596 flat angles P-C4'-P energy: -30.071 tors. eta vs tors. theta energy: 3.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -1379.366598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.366598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.366598 (E_RNA) where: Base-Base interactions energy: -938.870 where: short stacking energy: -392.317 Base-Backbone interact. energy: -5.768 local terms energy: -434.728681 where: bonds (distance) C4'-P energy: -89.413 bonds (distance) P-C4' energy: -81.807 flat angles C4'-P-C4' energy: -96.337 flat angles P-C4'-P energy: -54.718 tors. eta vs tors. theta energy: -112.452 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: 2, replica: 1 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -1299.411317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.411317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.411317 (E_RNA) where: Base-Base interactions energy: -883.146 where: short stacking energy: -393.085 Base-Backbone interact. energy: -0.570 local terms energy: -415.694500 where: bonds (distance) C4'-P energy: -75.314 bonds (distance) P-C4' energy: -82.515 flat angles C4'-P-C4' energy: -78.103 flat angles P-C4'-P energy: -62.031 tors. eta vs tors. theta energy: -117.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -1276.161584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.161584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.161584 (E_RNA) where: Base-Base interactions energy: -854.840 where: short stacking energy: -401.464 Base-Backbone interact. energy: -0.682 local terms energy: -420.639571 where: bonds (distance) C4'-P energy: -80.529 bonds (distance) P-C4' energy: -84.653 flat angles C4'-P-C4' energy: -83.327 flat angles P-C4'-P energy: -53.326 tors. eta vs tors. theta energy: -118.805 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: 5 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -1226.295120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.295120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.295120 (E_RNA) where: Base-Base interactions energy: -820.851 where: short stacking energy: -352.976 Base-Backbone interact. energy: -1.371 local terms energy: -404.073260 where: bonds (distance) C4'-P energy: -69.451 bonds (distance) P-C4' energy: -66.712 flat angles C4'-P-C4' energy: -90.489 flat angles P-C4'-P energy: -61.256 tors. eta vs tors. theta energy: -116.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -1140.147381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.147381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.147381 (E_RNA) where: Base-Base interactions energy: -754.873 where: short stacking energy: -320.531 Base-Backbone interact. energy: 0.103 local terms energy: -385.377540 where: bonds (distance) C4'-P energy: -60.465 bonds (distance) P-C4' energy: -87.010 flat angles C4'-P-C4' energy: -84.614 flat angles P-C4'-P energy: -59.796 tors. eta vs tors. theta energy: -93.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -945.021139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.021139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.021139 (E_RNA) where: Base-Base interactions energy: -603.199 where: short stacking energy: -267.711 Base-Backbone interact. energy: -2.211 local terms energy: -339.610680 where: bonds (distance) C4'-P energy: -77.588 bonds (distance) P-C4' energy: -70.546 flat angles C4'-P-C4' energy: -83.929 flat angles P-C4'-P energy: -50.663 tors. eta vs tors. theta energy: -56.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -878.738512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.738512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.738512 (E_RNA) where: Base-Base interactions energy: -561.016 where: short stacking energy: -252.762 Base-Backbone interact. energy: -1.476 local terms energy: -316.246302 where: bonds (distance) C4'-P energy: -66.622 bonds (distance) P-C4' energy: -65.627 flat angles C4'-P-C4' energy: -73.452 flat angles P-C4'-P energy: -47.238 tors. eta vs tors. theta energy: -63.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -718.738629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.738629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.738629 (E_RNA) where: Base-Base interactions energy: -429.136 where: short stacking energy: -204.195 Base-Backbone interact. energy: -1.081 local terms energy: -288.521011 where: bonds (distance) C4'-P energy: -71.335 bonds (distance) P-C4' energy: -72.709 flat angles C4'-P-C4' energy: -58.473 flat angles P-C4'-P energy: -55.689 tors. eta vs tors. theta energy: -30.315 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: 4 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -487.970993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.970993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.970993 (E_RNA) where: Base-Base interactions energy: -226.774 where: short stacking energy: -135.548 Base-Backbone interact. energy: 1.617 local terms energy: -262.814013 where: bonds (distance) C4'-P energy: -75.725 bonds (distance) P-C4' energy: -63.091 flat angles C4'-P-C4' energy: -72.835 flat angles P-C4'-P energy: -24.050 tors. eta vs tors. theta energy: -27.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -347.905687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.905687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.905687 (E_RNA) where: Base-Base interactions energy: -110.569 where: short stacking energy: -109.624 Base-Backbone interact. energy: 2.779 local terms energy: -240.115688 where: bonds (distance) C4'-P energy: -62.942 bonds (distance) P-C4' energy: -76.550 flat angles C4'-P-C4' energy: -49.262 flat angles P-C4'-P energy: -47.350 tors. eta vs tors. theta energy: -4.011 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: 3 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -1374.449056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.449056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.449056 (E_RNA) where: Base-Base interactions energy: -939.125 where: short stacking energy: -404.542 Base-Backbone interact. energy: -6.071 local terms energy: -429.252547 where: bonds (distance) C4'-P energy: -82.558 bonds (distance) P-C4' energy: -71.262 flat angles C4'-P-C4' energy: -99.236 flat angles P-C4'-P energy: -58.151 tors. eta vs tors. theta energy: -118.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -1291.353845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.353845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.353845 (E_RNA) where: Base-Base interactions energy: -875.352 where: short stacking energy: -380.250 Base-Backbone interact. energy: -2.593 local terms energy: -413.408766 where: bonds (distance) C4'-P energy: -72.989 bonds (distance) P-C4' energy: -81.021 flat angles C4'-P-C4' energy: -79.102 flat angles P-C4'-P energy: -65.583 tors. eta vs tors. theta energy: -114.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -1254.515140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.515140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.515140 (E_RNA) where: Base-Base interactions energy: -848.369 where: short stacking energy: -376.959 Base-Backbone interact. energy: -1.361 local terms energy: -404.785486 where: bonds (distance) C4'-P energy: -71.177 bonds (distance) P-C4' energy: -80.479 flat angles C4'-P-C4' energy: -78.262 flat angles P-C4'-P energy: -56.043 tors. eta vs tors. theta energy: -118.824 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: 5 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -1247.142620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.142620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.142620 (E_RNA) where: Base-Base interactions energy: -854.783 where: short stacking energy: -362.089 Base-Backbone interact. energy: -1.130 local terms energy: -391.230489 where: bonds (distance) C4'-P energy: -73.046 bonds (distance) P-C4' energy: -70.761 flat angles C4'-P-C4' energy: -85.945 flat angles P-C4'-P energy: -55.006 tors. eta vs tors. theta energy: -106.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -1118.268219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.268219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.268219 (E_RNA) where: Base-Base interactions energy: -732.183 where: short stacking energy: -305.774 Base-Backbone interact. energy: -0.581 local terms energy: -385.504025 where: bonds (distance) C4'-P energy: -86.087 bonds (distance) P-C4' energy: -71.094 flat angles C4'-P-C4' energy: -86.399 flat angles P-C4'-P energy: -59.575 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: 6 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -926.853240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.853240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.853240 (E_RNA) where: Base-Base interactions energy: -600.907 where: short stacking energy: -235.516 Base-Backbone interact. energy: 4.486 local terms energy: -330.432734 where: bonds (distance) C4'-P energy: -76.951 bonds (distance) P-C4' energy: -80.307 flat angles C4'-P-C4' energy: -62.511 flat angles P-C4'-P energy: -48.549 tors. eta vs tors. theta energy: -62.114 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: 7 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -855.619621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.619621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.619621 (E_RNA) where: Base-Base interactions energy: -553.085 where: short stacking energy: -260.204 Base-Backbone interact. energy: 0.159 local terms energy: -302.693586 where: bonds (distance) C4'-P energy: -55.265 bonds (distance) P-C4' energy: -72.441 flat angles C4'-P-C4' energy: -73.167 flat angles P-C4'-P energy: -44.333 tors. eta vs tors. theta energy: -57.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -701.749155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.749155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.749155 (E_RNA) where: Base-Base interactions energy: -423.443 where: short stacking energy: -214.871 Base-Backbone interact. energy: -2.713 local terms energy: -275.593507 where: bonds (distance) C4'-P energy: -66.257 bonds (distance) P-C4' energy: -64.244 flat angles C4'-P-C4' energy: -62.983 flat angles P-C4'-P energy: -34.354 tors. eta vs tors. theta energy: -47.756 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: 4 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -452.585269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.585269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.585269 (E_RNA) where: Base-Base interactions energy: -217.014 where: short stacking energy: -146.701 Base-Backbone interact. energy: 2.342 local terms energy: -237.913315 where: bonds (distance) C4'-P energy: -65.434 bonds (distance) P-C4' energy: -68.566 flat angles C4'-P-C4' energy: -61.763 flat angles P-C4'-P energy: -26.926 tors. eta vs tors. theta energy: -15.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -404.567472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.567472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.567472 (E_RNA) where: Base-Base interactions energy: -191.155 where: short stacking energy: -138.282 Base-Backbone interact. energy: 1.592 local terms energy: -215.003796 where: bonds (distance) C4'-P energy: -60.700 bonds (distance) P-C4' energy: -64.407 flat angles C4'-P-C4' energy: -48.535 flat angles P-C4'-P energy: -28.460 tors. eta vs tors. theta energy: -12.901 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: 3 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -1350.620088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.620088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.620088 (E_RNA) where: Base-Base interactions energy: -929.315 where: short stacking energy: -381.613 Base-Backbone interact. energy: -3.356 local terms energy: -417.948927 where: bonds (distance) C4'-P energy: -70.249 bonds (distance) P-C4' energy: -80.921 flat angles C4'-P-C4' energy: -91.104 flat angles P-C4'-P energy: -62.664 tors. eta vs tors. theta energy: -113.011 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: 1 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -1328.965864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.965864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.965864 (E_RNA) where: Base-Base interactions energy: -908.017 where: short stacking energy: -402.145 Base-Backbone interact. energy: -1.911 local terms energy: -419.038566 where: bonds (distance) C4'-P energy: -75.201 bonds (distance) P-C4' energy: -93.345 flat angles C4'-P-C4' energy: -85.994 flat angles P-C4'-P energy: -50.268 tors. eta vs tors. theta energy: -114.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -1226.786113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.786113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.786113 (E_RNA) where: Base-Base interactions energy: -833.701 where: short stacking energy: -359.929 Base-Backbone interact. energy: -0.756 local terms energy: -392.329254 where: bonds (distance) C4'-P energy: -70.276 bonds (distance) P-C4' energy: -66.335 flat angles C4'-P-C4' energy: -91.550 flat angles P-C4'-P energy: -62.161 tors. eta vs tors. theta energy: -102.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -1244.418342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.418342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.418342 (E_RNA) where: Base-Base interactions energy: -852.419 where: short stacking energy: -367.774 Base-Backbone interact. energy: -1.068 local terms energy: -390.930707 where: bonds (distance) C4'-P energy: -70.344 bonds (distance) P-C4' energy: -65.674 flat angles C4'-P-C4' energy: -79.176 flat angles P-C4'-P energy: -55.067 tors. eta vs tors. theta energy: -120.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -1121.910187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.910187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.910187 (E_RNA) where: Base-Base interactions energy: -752.326 where: short stacking energy: -312.296 Base-Backbone interact. energy: 0.864 local terms energy: -370.448027 where: bonds (distance) C4'-P energy: -78.686 bonds (distance) P-C4' energy: -76.444 flat angles C4'-P-C4' energy: -74.757 flat angles P-C4'-P energy: -52.814 tors. eta vs tors. theta energy: -87.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -982.254431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.254431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.254431 (E_RNA) where: Base-Base interactions energy: -646.403 where: short stacking energy: -300.396 Base-Backbone interact. energy: -2.858 local terms energy: -332.993572 where: bonds (distance) C4'-P energy: -68.566 bonds (distance) P-C4' energy: -74.426 flat angles C4'-P-C4' energy: -80.119 flat angles P-C4'-P energy: -43.784 tors. eta vs tors. theta energy: -66.099 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: 216 Temperature: 1.200000 Total energy: -868.348231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.348231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.348231 (E_RNA) where: Base-Base interactions energy: -545.097 where: short stacking energy: -248.275 Base-Backbone interact. energy: -0.449 local terms energy: -322.802220 where: bonds (distance) C4'-P energy: -76.195 bonds (distance) P-C4' energy: -58.741 flat angles C4'-P-C4' energy: -77.891 flat angles P-C4'-P energy: -46.341 tors. eta vs tors. theta energy: -63.634 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: 2 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -704.336367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.336367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.336367 (E_RNA) where: Base-Base interactions energy: -429.889 where: short stacking energy: -209.266 Base-Backbone interact. energy: -2.228 local terms energy: -272.219041 where: bonds (distance) C4'-P energy: -67.133 bonds (distance) P-C4' energy: -68.547 flat angles C4'-P-C4' energy: -64.316 flat angles P-C4'-P energy: -38.092 tors. eta vs tors. theta energy: -34.131 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: 4 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -492.063703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.063703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.063703 (E_RNA) where: Base-Base interactions energy: -235.629 where: short stacking energy: -129.732 Base-Backbone interact. energy: -2.199 local terms energy: -254.235772 where: bonds (distance) C4'-P energy: -78.954 bonds (distance) P-C4' energy: -66.678 flat angles C4'-P-C4' energy: -60.931 flat angles P-C4'-P energy: -33.950 tors. eta vs tors. theta energy: -13.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -390.193078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.193078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.193078 (E_RNA) where: Base-Base interactions energy: -171.446 where: short stacking energy: -108.335 Base-Backbone interact. energy: -1.501 local terms energy: -217.245729 where: bonds (distance) C4'-P energy: -59.677 bonds (distance) P-C4' energy: -78.123 flat angles C4'-P-C4' energy: -51.135 flat angles P-C4'-P energy: -26.515 tors. eta vs tors. theta energy: -1.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -1346.678895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.678895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.678895 (E_RNA) where: Base-Base interactions energy: -932.548 where: short stacking energy: -397.792 Base-Backbone interact. energy: -3.761 local terms energy: -410.370218 where: bonds (distance) C4'-P energy: -64.423 bonds (distance) P-C4' energy: -81.192 flat angles C4'-P-C4' energy: -91.858 flat angles P-C4'-P energy: -62.735 tors. eta vs tors. theta energy: -110.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -1346.240520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.240520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.240520 (E_RNA) where: Base-Base interactions energy: -926.209 where: short stacking energy: -380.889 Base-Backbone interact. energy: -1.579 local terms energy: -418.452702 where: bonds (distance) C4'-P energy: -81.573 bonds (distance) P-C4' energy: -79.487 flat angles C4'-P-C4' energy: -92.987 flat angles P-C4'-P energy: -54.082 tors. eta vs tors. theta energy: -110.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -1251.627281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.627281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.627281 (E_RNA) where: Base-Base interactions energy: -850.633 where: short stacking energy: -361.469 Base-Backbone interact. energy: 3.236 local terms energy: -404.230515 where: bonds (distance) C4'-P energy: -72.698 bonds (distance) P-C4' energy: -81.682 flat angles C4'-P-C4' energy: -87.884 flat angles P-C4'-P energy: -58.657 tors. eta vs tors. theta energy: -103.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -1246.234348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.234348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.234348 (E_RNA) where: Base-Base interactions energy: -832.312 where: short stacking energy: -362.588 Base-Backbone interact. energy: 5.448 local terms energy: -419.370796 where: bonds (distance) C4'-P energy: -74.525 bonds (distance) P-C4' energy: -71.444 flat angles C4'-P-C4' energy: -98.084 flat angles P-C4'-P energy: -63.088 tors. eta vs tors. theta energy: -112.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -1124.598716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.598716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.598716 (E_RNA) where: Base-Base interactions energy: -758.610 where: short stacking energy: -324.877 Base-Backbone interact. energy: 0.405 local terms energy: -366.393151 where: bonds (distance) C4'-P energy: -69.749 bonds (distance) P-C4' energy: -68.906 flat angles C4'-P-C4' energy: -78.462 flat angles P-C4'-P energy: -56.378 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: 6 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -967.849185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.849185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.849185 (E_RNA) where: Base-Base interactions energy: -623.380 where: short stacking energy: -285.415 Base-Backbone interact. energy: -1.573 local terms energy: -342.895468 where: bonds (distance) C4'-P energy: -58.898 bonds (distance) P-C4' energy: -79.105 flat angles C4'-P-C4' energy: -80.586 flat angles P-C4'-P energy: -43.434 tors. eta vs tors. theta energy: -80.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -867.101249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.101249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.101249 (E_RNA) where: Base-Base interactions energy: -533.229 where: short stacking energy: -233.040 Base-Backbone interact. energy: 0.778 local terms energy: -334.649718 where: bonds (distance) C4'-P energy: -71.221 bonds (distance) P-C4' energy: -78.771 flat angles C4'-P-C4' energy: -74.957 flat angles P-C4'-P energy: -45.235 tors. eta vs tors. theta energy: -64.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -704.731993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.731993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.731993 (E_RNA) where: Base-Base interactions energy: -417.300 where: short stacking energy: -206.981 Base-Backbone interact. energy: 1.104 local terms energy: -288.535648 where: bonds (distance) C4'-P energy: -67.803 bonds (distance) P-C4' energy: -72.690 flat angles C4'-P-C4' energy: -64.288 flat angles P-C4'-P energy: -44.339 tors. eta vs tors. theta energy: -39.415 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: 4 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -543.433673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.433673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.433673 (E_RNA) where: Base-Base interactions energy: -276.434 where: short stacking energy: -147.024 Base-Backbone interact. energy: -1.571 local terms energy: -265.428536 where: bonds (distance) C4'-P energy: -66.853 bonds (distance) P-C4' energy: -74.127 flat angles C4'-P-C4' energy: -71.161 flat angles P-C4'-P energy: -34.775 tors. eta vs tors. theta energy: -18.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -319.702620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.702620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.702620 (E_RNA) where: Base-Base interactions energy: -94.707 where: short stacking energy: -80.904 Base-Backbone interact. energy: 2.476 local terms energy: -227.471605 where: bonds (distance) C4'-P energy: -61.435 bonds (distance) P-C4' energy: -86.510 flat angles C4'-P-C4' energy: -66.982 flat angles P-C4'-P energy: -28.926 tors. eta vs tors. theta energy: 16.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -1355.816672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.816672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.816672 (E_RNA) where: Base-Base interactions energy: -946.203 where: short stacking energy: -381.082 Base-Backbone interact. energy: -4.143 local terms energy: -405.471287 where: bonds (distance) C4'-P energy: -82.193 bonds (distance) P-C4' energy: -75.666 flat angles C4'-P-C4' energy: -84.740 flat angles P-C4'-P energy: -52.113 tors. eta vs tors. theta energy: -110.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -1318.810722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.810722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.810722 (E_RNA) where: Base-Base interactions energy: -869.592 where: short stacking energy: -377.915 Base-Backbone interact. energy: -0.430 local terms energy: -448.788188 where: bonds (distance) C4'-P energy: -87.225 bonds (distance) P-C4' energy: -84.836 flat angles C4'-P-C4' energy: -94.833 flat angles P-C4'-P energy: -65.159 tors. eta vs tors. theta energy: -116.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -1282.188208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.188208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.188208 (E_RNA) where: Base-Base interactions energy: -879.113 where: short stacking energy: -375.414 Base-Backbone interact. energy: -1.810 local terms energy: -401.265010 where: bonds (distance) C4'-P energy: -69.693 bonds (distance) P-C4' energy: -83.432 flat angles C4'-P-C4' energy: -85.811 flat angles P-C4'-P energy: -51.749 tors. eta vs tors. theta energy: -110.580 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: 9 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -1187.463874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.463874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.463874 (E_RNA) where: Base-Base interactions energy: -800.639 where: short stacking energy: -354.551 Base-Backbone interact. energy: 0.627 local terms energy: -387.451431 where: bonds (distance) C4'-P energy: -76.776 bonds (distance) P-C4' energy: -78.494 flat angles C4'-P-C4' energy: -88.506 flat angles P-C4'-P energy: -47.075 tors. eta vs tors. theta energy: -96.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -1117.133277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.133277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.133277 (E_RNA) where: Base-Base interactions energy: -756.406 where: short stacking energy: -311.498 Base-Backbone interact. energy: -1.148 local terms energy: -359.579221 where: bonds (distance) C4'-P energy: -67.206 bonds (distance) P-C4' energy: -76.260 flat angles C4'-P-C4' energy: -80.547 flat angles P-C4'-P energy: -45.708 tors. eta vs tors. theta energy: -89.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -941.510243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.510243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.510243 (E_RNA) where: Base-Base interactions energy: -618.895 where: short stacking energy: -281.594 Base-Backbone interact. energy: 0.434 local terms energy: -323.049894 where: bonds (distance) C4'-P energy: -67.316 bonds (distance) P-C4' energy: -71.165 flat angles C4'-P-C4' energy: -69.727 flat angles P-C4'-P energy: -50.836 tors. eta vs tors. theta energy: -64.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -964.858280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.858280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.858280 (E_RNA) where: Base-Base interactions energy: -617.974 where: short stacking energy: -287.139 Base-Backbone interact. energy: -2.477 local terms energy: -344.406919 where: bonds (distance) C4'-P energy: -73.213 bonds (distance) P-C4' energy: -66.835 flat angles C4'-P-C4' energy: -80.296 flat angles P-C4'-P energy: -45.124 tors. eta vs tors. theta energy: -78.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -706.993215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.993215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.993215 (E_RNA) where: Base-Base interactions energy: -420.242 where: short stacking energy: -206.138 Base-Backbone interact. energy: 0.709 local terms energy: -287.460539 where: bonds (distance) C4'-P energy: -71.224 bonds (distance) P-C4' energy: -60.489 flat angles C4'-P-C4' energy: -69.412 flat angles P-C4'-P energy: -44.630 tors. eta vs tors. theta energy: -41.705 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: 4 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -567.989104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.989104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.989104 (E_RNA) where: Base-Base interactions energy: -304.464 where: short stacking energy: -156.027 Base-Backbone interact. energy: 0.214 local terms energy: -263.739198 where: bonds (distance) C4'-P energy: -67.170 bonds (distance) P-C4' energy: -68.719 flat angles C4'-P-C4' energy: -57.287 flat angles P-C4'-P energy: -48.332 tors. eta vs tors. theta energy: -22.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -322.637127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.637127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.637127 (E_RNA) where: Base-Base interactions energy: -106.110 where: short stacking energy: -84.224 Base-Backbone interact. energy: -2.361 local terms energy: -214.166273 where: bonds (distance) C4'-P energy: -59.316 bonds (distance) P-C4' energy: -63.290 flat angles C4'-P-C4' energy: -60.463 flat angles P-C4'-P energy: -39.060 tors. eta vs tors. theta energy: 7.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -1373.961575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.961575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.961575 (E_RNA) where: Base-Base interactions energy: -924.487 where: short stacking energy: -372.768 Base-Backbone interact. energy: -3.093 local terms energy: -446.381219 where: bonds (distance) C4'-P energy: -85.355 bonds (distance) P-C4' energy: -89.538 flat angles C4'-P-C4' energy: -96.293 flat angles P-C4'-P energy: -60.629 tors. eta vs tors. theta energy: -114.567 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: 5 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -1305.713600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.713600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.713600 (E_RNA) where: Base-Base interactions energy: -862.820 where: short stacking energy: -373.428 Base-Backbone interact. energy: -2.625 local terms energy: -440.267887 where: bonds (distance) C4'-P energy: -82.622 bonds (distance) P-C4' energy: -83.236 flat angles C4'-P-C4' energy: -87.967 flat angles P-C4'-P energy: -65.311 tors. eta vs tors. theta energy: -121.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -1270.306255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.306255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.306255 (E_RNA) where: Base-Base interactions energy: -847.451 where: short stacking energy: -339.084 Base-Backbone interact. energy: -1.779 local terms energy: -421.075963 where: bonds (distance) C4'-P energy: -88.253 bonds (distance) P-C4' energy: -74.669 flat angles C4'-P-C4' energy: -93.020 flat angles P-C4'-P energy: -56.225 tors. eta vs tors. theta energy: -108.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -1189.795951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.795951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.795951 (E_RNA) where: Base-Base interactions energy: -808.387 where: short stacking energy: -352.831 Base-Backbone interact. energy: 2.991 local terms energy: -384.399985 where: bonds (distance) C4'-P energy: -68.580 bonds (distance) P-C4' energy: -75.014 flat angles C4'-P-C4' energy: -82.259 flat angles P-C4'-P energy: -60.681 tors. eta vs tors. theta energy: -97.866 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: 8 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -1095.498738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.498738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.498738 (E_RNA) where: Base-Base interactions energy: -727.633 where: short stacking energy: -297.462 Base-Backbone interact. energy: 2.990 local terms energy: -370.855819 where: bonds (distance) C4'-P energy: -62.801 bonds (distance) P-C4' energy: -87.138 flat angles C4'-P-C4' energy: -83.603 flat angles P-C4'-P energy: -54.594 tors. eta vs tors. theta energy: -82.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -927.002689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.002689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.002689 (E_RNA) where: Base-Base interactions energy: -598.932 where: short stacking energy: -259.308 Base-Backbone interact. energy: -0.061 local terms energy: -328.009249 where: bonds (distance) C4'-P energy: -75.261 bonds (distance) P-C4' energy: -72.825 flat angles C4'-P-C4' energy: -67.507 flat angles P-C4'-P energy: -46.118 tors. eta vs tors. theta energy: -66.298 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: 219 Temperature: 1.200000 Total energy: -945.696670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.696670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.696670 (E_RNA) where: Base-Base interactions energy: -596.692 where: short stacking energy: -252.639 Base-Backbone interact. energy: -0.747 local terms energy: -348.257215 where: bonds (distance) C4'-P energy: -72.169 bonds (distance) P-C4' energy: -80.006 flat angles C4'-P-C4' energy: -79.183 flat angles P-C4'-P energy: -46.731 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: 8, replica: 2 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -676.632848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.632848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.632848 (E_RNA) where: Base-Base interactions energy: -411.777 where: short stacking energy: -190.061 Base-Backbone interact. energy: 1.773 local terms energy: -266.628134 where: bonds (distance) C4'-P energy: -74.463 bonds (distance) P-C4' energy: -51.390 flat angles C4'-P-C4' energy: -75.804 flat angles P-C4'-P energy: -26.991 tors. eta vs tors. theta energy: -37.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -534.679336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.679336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.679336 (E_RNA) where: Base-Base interactions energy: -264.010 where: short stacking energy: -152.249 Base-Backbone interact. energy: -0.513 local terms energy: -270.156713 where: bonds (distance) C4'-P energy: -67.644 bonds (distance) P-C4' energy: -65.365 flat angles C4'-P-C4' energy: -69.979 flat angles P-C4'-P energy: -42.272 tors. eta vs tors. theta energy: -24.897 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: 10 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -324.960179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.960179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.960179 (E_RNA) where: Base-Base interactions energy: -101.906 where: short stacking energy: -96.348 Base-Backbone interact. energy: 3.539 local terms energy: -226.593065 where: bonds (distance) C4'-P energy: -70.627 bonds (distance) P-C4' energy: -67.516 flat angles C4'-P-C4' energy: -66.585 flat angles P-C4'-P energy: -28.124 tors. eta vs tors. theta energy: 6.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -1359.945095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.945095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.945095 (E_RNA) where: Base-Base interactions energy: -912.792 where: short stacking energy: -396.896 Base-Backbone interact. energy: -1.302 local terms energy: -445.850915 where: bonds (distance) C4'-P energy: -81.713 bonds (distance) P-C4' energy: -90.191 flat angles C4'-P-C4' energy: -86.530 flat angles P-C4'-P energy: -61.417 tors. eta vs tors. theta energy: -126.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -1308.823416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.823416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.823416 (E_RNA) where: Base-Base interactions energy: -895.716 where: short stacking energy: -366.092 Base-Backbone interact. energy: -1.680 local terms energy: -411.427948 where: bonds (distance) C4'-P energy: -79.582 bonds (distance) P-C4' energy: -77.158 flat angles C4'-P-C4' energy: -79.709 flat angles P-C4'-P energy: -67.506 tors. eta vs tors. theta energy: -107.473 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: 3, replica: 1 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -1299.162023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.162023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.162023 (E_RNA) where: Base-Base interactions energy: -897.587 where: short stacking energy: -385.963 Base-Backbone interact. energy: -2.935 local terms energy: -398.639407 where: bonds (distance) C4'-P energy: -63.258 bonds (distance) P-C4' energy: -76.554 flat angles C4'-P-C4' energy: -90.337 flat angles P-C4'-P energy: -60.421 tors. eta vs tors. theta energy: -108.069 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: 9 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -1172.961103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.961103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.961103 (E_RNA) where: Base-Base interactions energy: -787.634 where: short stacking energy: -328.816 Base-Backbone interact. energy: -1.553 local terms energy: -383.773610 where: bonds (distance) C4'-P energy: -73.826 bonds (distance) P-C4' energy: -76.973 flat angles C4'-P-C4' energy: -84.899 flat angles P-C4'-P energy: -54.785 tors. eta vs tors. theta energy: -93.290 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: 5, replica: 8 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -1114.459316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.459316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.459316 (E_RNA) where: Base-Base interactions energy: -745.383 where: short stacking energy: -319.862 Base-Backbone interact. energy: -2.096 local terms energy: -366.979643 where: bonds (distance) C4'-P energy: -72.190 bonds (distance) P-C4' energy: -74.847 flat angles C4'-P-C4' energy: -79.903 flat angles P-C4'-P energy: -49.880 tors. eta vs tors. theta energy: -90.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -953.501392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.501392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.501392 (E_RNA) where: Base-Base interactions energy: -620.921 where: short stacking energy: -282.752 Base-Backbone interact. energy: -0.093 local terms energy: -332.487532 where: bonds (distance) C4'-P energy: -72.606 bonds (distance) P-C4' energy: -76.220 flat angles C4'-P-C4' energy: -69.101 flat angles P-C4'-P energy: -43.055 tors. eta vs tors. theta energy: -71.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -920.130694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.130694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.130694 (E_RNA) where: Base-Base interactions energy: -608.177 where: short stacking energy: -268.850 Base-Backbone interact. energy: -2.104 local terms energy: -309.850025 where: bonds (distance) C4'-P energy: -54.407 bonds (distance) P-C4' energy: -75.209 flat angles C4'-P-C4' energy: -64.086 flat angles P-C4'-P energy: -42.694 tors. eta vs tors. theta energy: -73.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -721.961182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.961182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.961182 (E_RNA) where: Base-Base interactions energy: -448.683 where: short stacking energy: -209.170 Base-Backbone interact. energy: -1.771 local terms energy: -271.507036 where: bonds (distance) C4'-P energy: -67.761 bonds (distance) P-C4' energy: -61.143 flat angles C4'-P-C4' energy: -63.916 flat angles P-C4'-P energy: -39.144 tors. eta vs tors. theta energy: -39.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -526.380065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.380065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.380065 (E_RNA) where: Base-Base interactions energy: -285.854 where: short stacking energy: -159.970 Base-Backbone interact. energy: -1.568 local terms energy: -238.958759 where: bonds (distance) C4'-P energy: -65.517 bonds (distance) P-C4' energy: -67.930 flat angles C4'-P-C4' energy: -51.493 flat angles P-C4'-P energy: -43.872 tors. eta vs tors. theta energy: -10.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -313.042475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.042475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.042475 (E_RNA) where: Base-Base interactions energy: -103.540 where: short stacking energy: -98.496 Base-Backbone interact. energy: 2.038 local terms energy: -211.540933 where: bonds (distance) C4'-P energy: -72.316 bonds (distance) P-C4' energy: -74.852 flat angles C4'-P-C4' energy: -45.289 flat angles P-C4'-P energy: -36.747 tors. eta vs tors. theta energy: 17.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -1338.782168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.782168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.782168 (E_RNA) where: Base-Base interactions energy: -895.526 where: short stacking energy: -402.122 Base-Backbone interact. energy: -0.387 local terms energy: -442.868838 where: bonds (distance) C4'-P energy: -90.655 bonds (distance) P-C4' energy: -80.847 flat angles C4'-P-C4' energy: -86.223 flat angles P-C4'-P energy: -60.321 tors. eta vs tors. theta energy: -124.824 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: 221 Temperature: 0.950000 Total energy: -1325.213551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.213551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.213551 (E_RNA) where: Base-Base interactions energy: -904.801 where: short stacking energy: -372.634 Base-Backbone interact. energy: -2.008 local terms energy: -418.405221 where: bonds (distance) C4'-P energy: -79.602 bonds (distance) P-C4' energy: -90.665 flat angles C4'-P-C4' energy: -87.368 flat angles P-C4'-P energy: -54.216 tors. eta vs tors. theta energy: -106.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -1267.662937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.662937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.662937 (E_RNA) where: Base-Base interactions energy: -861.921 where: short stacking energy: -387.330 Base-Backbone interact. energy: -1.474 local terms energy: -404.267817 where: bonds (distance) C4'-P energy: -71.995 bonds (distance) P-C4' energy: -77.097 flat angles C4'-P-C4' energy: -87.061 flat angles P-C4'-P energy: -54.077 tors. eta vs tors. theta energy: -114.038 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: 9 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -1189.797427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.797427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.797427 (E_RNA) where: Base-Base interactions energy: -786.770 where: short stacking energy: -345.239 Base-Backbone interact. energy: 0.219 local terms energy: -403.246525 where: bonds (distance) C4'-P energy: -80.095 bonds (distance) P-C4' energy: -76.026 flat angles C4'-P-C4' energy: -77.281 flat angles P-C4'-P energy: -56.831 tors. eta vs tors. theta energy: -113.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -1104.082894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.082894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.082894 (E_RNA) where: Base-Base interactions energy: -726.706 where: short stacking energy: -318.094 Base-Backbone interact. energy: 0.188 local terms energy: -377.564545 where: bonds (distance) C4'-P energy: -72.493 bonds (distance) P-C4' energy: -81.258 flat angles C4'-P-C4' energy: -84.861 flat angles P-C4'-P energy: -50.971 tors. eta vs tors. theta energy: -87.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -971.827774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.827774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.827774 (E_RNA) where: Base-Base interactions energy: -678.332 where: short stacking energy: -299.292 Base-Backbone interact. energy: 6.195 local terms energy: -299.691263 where: bonds (distance) C4'-P energy: -59.060 bonds (distance) P-C4' energy: -53.431 flat angles C4'-P-C4' energy: -71.803 flat angles P-C4'-P energy: -44.038 tors. eta vs tors. theta energy: -71.360 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: 7 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -911.022708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.022708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.022708 (E_RNA) where: Base-Base interactions energy: -559.706 where: short stacking energy: -262.810 Base-Backbone interact. energy: 0.551 local terms energy: -351.867450 where: bonds (distance) C4'-P energy: -80.620 bonds (distance) P-C4' energy: -74.628 flat angles C4'-P-C4' energy: -77.128 flat angles P-C4'-P energy: -52.462 tors. eta vs tors. theta energy: -67.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -705.937972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.937972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.937972 (E_RNA) where: Base-Base interactions energy: -402.537 where: short stacking energy: -184.691 Base-Backbone interact. energy: -1.897 local terms energy: -301.503408 where: bonds (distance) C4'-P energy: -70.579 bonds (distance) P-C4' energy: -79.886 flat angles C4'-P-C4' energy: -71.146 flat angles P-C4'-P energy: -39.850 tors. eta vs tors. theta energy: -40.041 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: 4 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -518.751233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.751233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.751233 (E_RNA) where: Base-Base interactions energy: -296.095 where: short stacking energy: -168.900 Base-Backbone interact. energy: -0.440 local terms energy: -222.215953 where: bonds (distance) C4'-P energy: -45.399 bonds (distance) P-C4' energy: -70.005 flat angles C4'-P-C4' energy: -59.790 flat angles P-C4'-P energy: -36.117 tors. eta vs tors. theta energy: -10.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -326.296587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.296587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.296587 (E_RNA) where: Base-Base interactions energy: -113.102 where: short stacking energy: -82.872 Base-Backbone interact. energy: 1.695 local terms energy: -214.889380 where: bonds (distance) C4'-P energy: -65.464 bonds (distance) P-C4' energy: -74.662 flat angles C4'-P-C4' energy: -61.208 flat angles P-C4'-P energy: -26.497 tors. eta vs tors. theta energy: 12.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -1382.491659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.491659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.491659 (E_RNA) where: Base-Base interactions energy: -922.597 where: short stacking energy: -410.505 Base-Backbone interact. energy: -0.736 local terms energy: -459.158696 where: bonds (distance) C4'-P energy: -86.105 bonds (distance) P-C4' energy: -84.246 flat angles C4'-P-C4' energy: -96.483 flat angles P-C4'-P energy: -70.602 tors. eta vs tors. theta energy: -121.723 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: 2, replica: 3 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -1330.871816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.871816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.871816 (E_RNA) where: Base-Base interactions energy: -917.969 where: short stacking energy: -381.405 Base-Backbone interact. energy: -5.009 local terms energy: -407.893004 where: bonds (distance) C4'-P energy: -75.228 bonds (distance) P-C4' energy: -89.236 flat angles C4'-P-C4' energy: -90.666 flat angles P-C4'-P energy: -47.197 tors. eta vs tors. theta energy: -105.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -1220.056669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.056669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.056669 (E_RNA) where: Base-Base interactions energy: -824.526 where: short stacking energy: -349.006 Base-Backbone interact. energy: -2.052 local terms energy: -393.478806 where: bonds (distance) C4'-P energy: -65.960 bonds (distance) P-C4' energy: -83.827 flat angles C4'-P-C4' energy: -88.331 flat angles P-C4'-P energy: -54.521 tors. eta vs tors. theta energy: -100.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -1182.581649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.581649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.581649 (E_RNA) where: Base-Base interactions energy: -816.113 where: short stacking energy: -332.962 Base-Backbone interact. energy: -0.686 local terms energy: -365.782069 where: bonds (distance) C4'-P energy: -62.114 bonds (distance) P-C4' energy: -77.172 flat angles C4'-P-C4' energy: -79.002 flat angles P-C4'-P energy: -51.771 tors. eta vs tors. theta energy: -95.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -1076.062631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.062631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.062631 (E_RNA) where: Base-Base interactions energy: -699.265 where: short stacking energy: -323.183 Base-Backbone interact. energy: -1.351 local terms energy: -375.446699 where: bonds (distance) C4'-P energy: -71.572 bonds (distance) P-C4' energy: -65.715 flat angles C4'-P-C4' energy: -90.827 flat angles P-C4'-P energy: -59.697 tors. eta vs tors. theta energy: -87.635 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: 6 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -941.204720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.204720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.204720 (E_RNA) where: Base-Base interactions energy: -621.192 where: short stacking energy: -259.886 Base-Backbone interact. energy: -1.488 local terms energy: -318.525520 where: bonds (distance) C4'-P energy: -68.081 bonds (distance) P-C4' energy: -67.604 flat angles C4'-P-C4' energy: -68.036 flat angles P-C4'-P energy: -43.039 tors. eta vs tors. theta energy: -71.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -891.396596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.396596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.396596 (E_RNA) where: Base-Base interactions energy: -557.747 where: short stacking energy: -248.599 Base-Backbone interact. energy: -3.619 local terms energy: -330.031231 where: bonds (distance) C4'-P energy: -80.320 bonds (distance) P-C4' energy: -75.261 flat angles C4'-P-C4' energy: -74.907 flat angles P-C4'-P energy: -50.138 tors. eta vs tors. theta energy: -49.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -680.148489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.148489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.148489 (E_RNA) where: Base-Base interactions energy: -398.216 where: short stacking energy: -205.608 Base-Backbone interact. energy: -2.223 local terms energy: -279.709649 where: bonds (distance) C4'-P energy: -86.050 bonds (distance) P-C4' energy: -65.350 flat angles C4'-P-C4' energy: -59.662 flat angles P-C4'-P energy: -41.004 tors. eta vs tors. theta energy: -27.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -522.905300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.905300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.905300 (E_RNA) where: Base-Base interactions energy: -272.947 where: short stacking energy: -132.270 Base-Backbone interact. energy: 10.406 local terms energy: -260.364814 where: bonds (distance) C4'-P energy: -74.748 bonds (distance) P-C4' energy: -75.973 flat angles C4'-P-C4' energy: -67.028 flat angles P-C4'-P energy: -38.691 tors. eta vs tors. theta energy: -3.926 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: 10 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -365.122270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.122270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.122270 (E_RNA) where: Base-Base interactions energy: -127.881 where: short stacking energy: -101.214 Base-Backbone interact. energy: -1.807 local terms energy: -235.433814 where: bonds (distance) C4'-P energy: -59.734 bonds (distance) P-C4' energy: -65.531 flat angles C4'-P-C4' energy: -69.295 flat angles P-C4'-P energy: -40.004 tors. eta vs tors. theta energy: -0.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -1385.116218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.116218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.116218 (E_RNA) where: Base-Base interactions energy: -930.518 where: short stacking energy: -407.003 Base-Backbone interact. energy: -2.941 local terms energy: -451.657635 where: bonds (distance) C4'-P energy: -86.406 bonds (distance) P-C4' energy: -84.335 flat angles C4'-P-C4' energy: -86.744 flat angles P-C4'-P energy: -75.407 tors. eta vs tors. theta energy: -118.765 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: 2, replica: 3 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -1324.220660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.220660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.220660 (E_RNA) where: Base-Base interactions energy: -925.941 where: short stacking energy: -383.704 Base-Backbone interact. energy: -2.115 local terms energy: -396.164253 where: bonds (distance) C4'-P energy: -71.405 bonds (distance) P-C4' energy: -77.446 flat angles C4'-P-C4' energy: -93.431 flat angles P-C4'-P energy: -47.284 tors. eta vs tors. theta energy: -106.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -1254.147906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.147906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.147906 (E_RNA) where: Base-Base interactions energy: -857.692 where: short stacking energy: -378.748 Base-Backbone interact. energy: 3.515 local terms energy: -399.971083 where: bonds (distance) C4'-P energy: -68.600 bonds (distance) P-C4' energy: -63.745 flat angles C4'-P-C4' energy: -95.065 flat angles P-C4'-P energy: -52.732 tors. eta vs tors. theta energy: -119.829 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: 9 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -1192.706975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.706975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.706975 (E_RNA) where: Base-Base interactions energy: -806.324 where: short stacking energy: -358.828 Base-Backbone interact. energy: -1.033 local terms energy: -385.350057 where: bonds (distance) C4'-P energy: -69.030 bonds (distance) P-C4' energy: -74.206 flat angles C4'-P-C4' energy: -79.803 flat angles P-C4'-P energy: -51.362 tors. eta vs tors. theta energy: -110.949 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: 8 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -1050.681323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.681323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.681323 (E_RNA) where: Base-Base interactions energy: -691.854 where: short stacking energy: -328.918 Base-Backbone interact. energy: -0.587 local terms energy: -358.240937 where: bonds (distance) C4'-P energy: -63.337 bonds (distance) P-C4' energy: -75.764 flat angles C4'-P-C4' energy: -84.378 flat angles P-C4'-P energy: -51.497 tors. eta vs tors. theta energy: -83.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -979.643132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.643132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.643132 (E_RNA) where: Base-Base interactions energy: -641.898 where: short stacking energy: -274.196 Base-Backbone interact. energy: -2.770 local terms energy: -334.974366 where: bonds (distance) C4'-P energy: -66.720 bonds (distance) P-C4' energy: -65.803 flat angles C4'-P-C4' energy: -84.763 flat angles P-C4'-P energy: -49.791 tors. eta vs tors. theta energy: -67.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -861.541515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.541515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.541515 (E_RNA) where: Base-Base interactions energy: -549.601 where: short stacking energy: -241.117 Base-Backbone interact. energy: 4.308 local terms energy: -316.249215 where: bonds (distance) C4'-P energy: -64.977 bonds (distance) P-C4' energy: -70.078 flat angles C4'-P-C4' energy: -76.832 flat angles P-C4'-P energy: -50.538 tors. eta vs tors. theta energy: -53.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -678.048163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.048163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.048163 (E_RNA) where: Base-Base interactions energy: -412.832 where: short stacking energy: -197.143 Base-Backbone interact. energy: 2.266 local terms energy: -267.482308 where: bonds (distance) C4'-P energy: -75.549 bonds (distance) P-C4' energy: -70.061 flat angles C4'-P-C4' energy: -71.053 flat angles P-C4'-P energy: -27.228 tors. eta vs tors. theta energy: -23.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -533.673607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.673607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.673607 (E_RNA) where: Base-Base interactions energy: -281.057 where: short stacking energy: -169.926 Base-Backbone interact. energy: 0.540 local terms energy: -253.156352 where: bonds (distance) C4'-P energy: -68.419 bonds (distance) P-C4' energy: -70.160 flat angles C4'-P-C4' energy: -61.822 flat angles P-C4'-P energy: -25.075 tors. eta vs tors. theta energy: -27.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -329.091257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.091257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.091257 (E_RNA) where: Base-Base interactions energy: -119.798 where: short stacking energy: -93.292 Base-Backbone interact. energy: 1.351 local terms energy: -210.643893 where: bonds (distance) C4'-P energy: -56.021 bonds (distance) P-C4' energy: -79.147 flat angles C4'-P-C4' energy: -56.425 flat angles P-C4'-P energy: -29.512 tors. eta vs tors. theta energy: 10.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -1364.499327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.499327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.499327 (E_RNA) where: Base-Base interactions energy: -947.564 where: short stacking energy: -388.087 Base-Backbone interact. energy: -1.792 local terms energy: -415.143276 where: bonds (distance) C4'-P energy: -81.460 bonds (distance) P-C4' energy: -84.414 flat angles C4'-P-C4' energy: -87.540 flat angles P-C4'-P energy: -50.646 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: 2, replica: 5 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -1309.505426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.505426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.505426 (E_RNA) where: Base-Base interactions energy: -884.365 where: short stacking energy: -388.929 Base-Backbone interact. energy: -1.634 local terms energy: -423.507236 where: bonds (distance) C4'-P energy: -76.389 bonds (distance) P-C4' energy: -75.374 flat angles C4'-P-C4' energy: -92.337 flat angles P-C4'-P energy: -61.020 tors. eta vs tors. theta energy: -118.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -1259.178545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.178545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.178545 (E_RNA) where: Base-Base interactions energy: -846.975 where: short stacking energy: -354.265 Base-Backbone interact. energy: -1.891 local terms energy: -410.312364 where: bonds (distance) C4'-P energy: -75.619 bonds (distance) P-C4' energy: -75.940 flat angles C4'-P-C4' energy: -89.688 flat angles P-C4'-P energy: -62.560 tors. eta vs tors. theta energy: -106.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -1197.151407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.151407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.151407 (E_RNA) where: Base-Base interactions energy: -798.716 where: short stacking energy: -348.890 Base-Backbone interact. energy: -1.174 local terms energy: -397.261533 where: bonds (distance) C4'-P energy: -73.464 bonds (distance) P-C4' energy: -81.127 flat angles C4'-P-C4' energy: -84.932 flat angles P-C4'-P energy: -50.973 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: 5, replica: 8 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -1057.003873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.003873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.003873 (E_RNA) where: Base-Base interactions energy: -685.864 where: short stacking energy: -316.564 Base-Backbone interact. energy: -0.858 local terms energy: -370.281793 where: bonds (distance) C4'-P energy: -77.093 bonds (distance) P-C4' energy: -69.664 flat angles C4'-P-C4' energy: -86.718 flat angles P-C4'-P energy: -54.889 tors. eta vs tors. theta energy: -81.918 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: 224 Temperature: 1.150000 Total energy: -937.226176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.226176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.226176 (E_RNA) where: Base-Base interactions energy: -588.806 where: short stacking energy: -247.258 Base-Backbone interact. energy: -2.406 local terms energy: -346.014016 where: bonds (distance) C4'-P energy: -82.304 bonds (distance) P-C4' energy: -79.126 flat angles C4'-P-C4' energy: -73.323 flat angles P-C4'-P energy: -40.029 tors. eta vs tors. theta energy: -71.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -854.146476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.146476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.146476 (E_RNA) where: Base-Base interactions energy: -532.603 where: short stacking energy: -258.365 Base-Backbone interact. energy: -1.137 local terms energy: -320.406462 where: bonds (distance) C4'-P energy: -62.140 bonds (distance) P-C4' energy: -71.617 flat angles C4'-P-C4' energy: -78.643 flat angles P-C4'-P energy: -48.301 tors. eta vs tors. theta energy: -59.705 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: 8, replica: 2 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -661.861742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.861742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.861742 (E_RNA) where: Base-Base interactions energy: -410.184 where: short stacking energy: -184.421 Base-Backbone interact. energy: -0.720 local terms energy: -250.957255 where: bonds (distance) C4'-P energy: -60.713 bonds (distance) P-C4' energy: -66.219 flat angles C4'-P-C4' energy: -66.803 flat angles P-C4'-P energy: -31.405 tors. eta vs tors. theta energy: -25.817 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: 4 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -541.159140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.159140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.159140 (E_RNA) where: Base-Base interactions energy: -283.537 where: short stacking energy: -148.826 Base-Backbone interact. energy: -1.016 local terms energy: -256.606658 where: bonds (distance) C4'-P energy: -55.067 bonds (distance) P-C4' energy: -77.209 flat angles C4'-P-C4' energy: -64.211 flat angles P-C4'-P energy: -34.060 tors. eta vs tors. theta energy: -26.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -340.997319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.997319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.997319 (E_RNA) where: Base-Base interactions energy: -139.627 where: short stacking energy: -101.775 Base-Backbone interact. energy: 0.441 local terms energy: -201.811443 where: bonds (distance) C4'-P energy: -53.915 bonds (distance) P-C4' energy: -73.351 flat angles C4'-P-C4' energy: -55.092 flat angles P-C4'-P energy: -31.218 tors. eta vs tors. theta energy: 11.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -1358.102744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.102744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.102744 (E_RNA) where: Base-Base interactions energy: -935.422 where: short stacking energy: -390.036 Base-Backbone interact. energy: -0.974 local terms energy: -421.707137 where: bonds (distance) C4'-P energy: -77.930 bonds (distance) P-C4' energy: -79.601 flat angles C4'-P-C4' energy: -87.108 flat angles P-C4'-P energy: -64.897 tors. eta vs tors. theta energy: -112.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -1303.726455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.726455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.726455 (E_RNA) where: Base-Base interactions energy: -890.964 where: short stacking energy: -417.066 Base-Backbone interact. energy: 1.117 local terms energy: -413.879166 where: bonds (distance) C4'-P energy: -69.357 bonds (distance) P-C4' energy: -71.808 flat angles C4'-P-C4' energy: -88.471 flat angles P-C4'-P energy: -63.255 tors. eta vs tors. theta energy: -120.988 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: 3, replica: 1 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -1249.589865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.589865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.589865 (E_RNA) where: Base-Base interactions energy: -851.277 where: short stacking energy: -375.213 Base-Backbone interact. energy: -0.092 local terms energy: -398.220604 where: bonds (distance) C4'-P energy: -67.116 bonds (distance) P-C4' energy: -77.757 flat angles C4'-P-C4' energy: -89.409 flat angles P-C4'-P energy: -57.468 tors. eta vs tors. theta energy: -106.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -1194.272348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.272348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.272348 (E_RNA) where: Base-Base interactions energy: -812.613 where: short stacking energy: -341.509 Base-Backbone interact. energy: 1.645 local terms energy: -383.304254 where: bonds (distance) C4'-P energy: -62.721 bonds (distance) P-C4' energy: -74.145 flat angles C4'-P-C4' energy: -88.568 flat angles P-C4'-P energy: -59.175 tors. eta vs tors. theta energy: -98.695 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: 8 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -1094.554724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.554724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.554724 (E_RNA) where: Base-Base interactions energy: -728.852 where: short stacking energy: -315.486 Base-Backbone interact. energy: -0.659 local terms energy: -365.043730 where: bonds (distance) C4'-P energy: -71.356 bonds (distance) P-C4' energy: -68.420 flat angles C4'-P-C4' energy: -93.212 flat angles P-C4'-P energy: -55.945 tors. eta vs tors. theta energy: -76.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -935.152959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.152959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.152959 (E_RNA) where: Base-Base interactions energy: -592.209 where: short stacking energy: -258.091 Base-Backbone interact. energy: 4.584 local terms energy: -347.528537 where: bonds (distance) C4'-P energy: -75.181 bonds (distance) P-C4' energy: -79.424 flat angles C4'-P-C4' energy: -82.235 flat angles P-C4'-P energy: -51.681 tors. eta vs tors. theta energy: -59.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -882.010569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.010569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.010569 (E_RNA) where: Base-Base interactions energy: -560.841 where: short stacking energy: -240.446 Base-Backbone interact. energy: -1.496 local terms energy: -319.673479 where: bonds (distance) C4'-P energy: -75.668 bonds (distance) P-C4' energy: -55.496 flat angles C4'-P-C4' energy: -81.698 flat angles P-C4'-P energy: -47.045 tors. eta vs tors. theta energy: -59.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -663.067131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.067131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.067131 (E_RNA) where: Base-Base interactions energy: -381.232 where: short stacking energy: -196.319 Base-Backbone interact. energy: -1.652 local terms energy: -280.183387 where: bonds (distance) C4'-P energy: -56.748 bonds (distance) P-C4' energy: -70.791 flat angles C4'-P-C4' energy: -76.463 flat angles P-C4'-P energy: -44.612 tors. eta vs tors. theta energy: -31.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -569.764145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.764145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.764145 (E_RNA) where: Base-Base interactions energy: -323.910 where: short stacking energy: -177.549 Base-Backbone interact. energy: -1.301 local terms energy: -244.553079 where: bonds (distance) C4'-P energy: -69.565 bonds (distance) P-C4' energy: -74.228 flat angles C4'-P-C4' energy: -60.938 flat angles P-C4'-P energy: -22.032 tors. eta vs tors. theta energy: -17.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -323.624622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.624622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.624622 (E_RNA) where: Base-Base interactions energy: -126.317 where: short stacking energy: -112.192 Base-Backbone interact. energy: -2.664 local terms energy: -194.643695 where: bonds (distance) C4'-P energy: -68.122 bonds (distance) P-C4' energy: -76.556 flat angles C4'-P-C4' energy: -36.140 flat angles P-C4'-P energy: -29.023 tors. eta vs tors. theta energy: 15.197 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: 1, replica: 3 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -1375.389272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.389272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.389272 (E_RNA) where: Base-Base interactions energy: -947.099 where: short stacking energy: -390.679 Base-Backbone interact. energy: -4.012 local terms energy: -424.278247 where: bonds (distance) C4'-P energy: -75.940 bonds (distance) P-C4' energy: -83.301 flat angles C4'-P-C4' energy: -89.826 flat angles P-C4'-P energy: -60.604 tors. eta vs tors. theta energy: -114.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -1322.442380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.442380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.442380 (E_RNA) where: Base-Base interactions energy: -900.491 where: short stacking energy: -407.561 Base-Backbone interact. energy: -0.194 local terms energy: -421.757692 where: bonds (distance) C4'-P energy: -65.953 bonds (distance) P-C4' energy: -83.258 flat angles C4'-P-C4' energy: -86.101 flat angles P-C4'-P energy: -64.037 tors. eta vs tors. theta energy: -122.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -1266.334590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.334590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.334590 (E_RNA) where: Base-Base interactions energy: -846.090 where: short stacking energy: -369.700 Base-Backbone interact. energy: 1.912 local terms energy: -422.156630 where: bonds (distance) C4'-P energy: -79.878 bonds (distance) P-C4' energy: -80.658 flat angles C4'-P-C4' energy: -93.987 flat angles P-C4'-P energy: -63.176 tors. eta vs tors. theta energy: -104.457 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: 4, replica: 9 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -1182.762721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.762721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.762721 (E_RNA) where: Base-Base interactions energy: -803.396 where: short stacking energy: -341.060 Base-Backbone interact. energy: -0.509 local terms energy: -378.857321 where: bonds (distance) C4'-P energy: -69.589 bonds (distance) P-C4' energy: -71.719 flat angles C4'-P-C4' energy: -79.424 flat angles P-C4'-P energy: -57.887 tors. eta vs tors. theta energy: -100.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -1141.282656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.282656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.282656 (E_RNA) where: Base-Base interactions energy: -752.507 where: short stacking energy: -327.295 Base-Backbone interact. energy: 0.213 local terms energy: -388.988378 where: bonds (distance) C4'-P energy: -76.183 bonds (distance) P-C4' energy: -65.618 flat angles C4'-P-C4' energy: -89.605 flat angles P-C4'-P energy: -51.128 tors. eta vs tors. theta energy: -106.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -933.736885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.736885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.736885 (E_RNA) where: Base-Base interactions energy: -599.064 where: short stacking energy: -267.177 Base-Backbone interact. energy: -2.081 local terms energy: -332.592723 where: bonds (distance) C4'-P energy: -77.145 bonds (distance) P-C4' energy: -83.864 flat angles C4'-P-C4' energy: -77.339 flat angles P-C4'-P energy: -35.365 tors. eta vs tors. theta energy: -58.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -903.210710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.210710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.210710 (E_RNA) where: Base-Base interactions energy: -605.646 where: short stacking energy: -268.468 Base-Backbone interact. energy: -2.087 local terms energy: -295.477134 where: bonds (distance) C4'-P energy: -72.108 bonds (distance) P-C4' energy: -47.504 flat angles C4'-P-C4' energy: -72.620 flat angles P-C4'-P energy: -46.105 tors. eta vs tors. theta energy: -57.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -647.642031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.642031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.642031 (E_RNA) where: Base-Base interactions energy: -381.611 where: short stacking energy: -196.991 Base-Backbone interact. energy: 1.904 local terms energy: -267.934474 where: bonds (distance) C4'-P energy: -63.504 bonds (distance) P-C4' energy: -65.862 flat angles C4'-P-C4' energy: -66.663 flat angles P-C4'-P energy: -45.087 tors. eta vs tors. theta energy: -26.819 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: 9, replica: 4 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -519.980297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.980297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.980297 (E_RNA) where: Base-Base interactions energy: -267.931 where: short stacking energy: -152.041 Base-Backbone interact. energy: 1.491 local terms energy: -253.539984 where: bonds (distance) C4'-P energy: -68.993 bonds (distance) P-C4' energy: -69.876 flat angles C4'-P-C4' energy: -67.207 flat angles P-C4'-P energy: -36.272 tors. eta vs tors. theta energy: -11.193 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: 10 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -351.472617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.472617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.472617 (E_RNA) where: Base-Base interactions energy: -131.062 where: short stacking energy: -118.993 Base-Backbone interact. energy: 0.746 local terms energy: -221.156877 where: bonds (distance) C4'-P energy: -64.981 bonds (distance) P-C4' energy: -75.458 flat angles C4'-P-C4' energy: -59.766 flat angles P-C4'-P energy: -22.826 tors. eta vs tors. theta energy: 1.874 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: 1, replica: 3 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -1375.231212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.231212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.231212 (E_RNA) where: Base-Base interactions energy: -929.034 where: short stacking energy: -395.631 Base-Backbone interact. energy: -2.997 local terms energy: -443.199892 where: bonds (distance) C4'-P energy: -87.851 bonds (distance) P-C4' energy: -82.513 flat angles C4'-P-C4' energy: -96.514 flat angles P-C4'-P energy: -63.566 tors. eta vs tors. theta energy: -112.755 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: 5 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -1311.765295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.765295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.765295 (E_RNA) where: Base-Base interactions energy: -880.247 where: short stacking energy: -397.222 Base-Backbone interact. energy: -1.117 local terms energy: -430.400814 where: bonds (distance) C4'-P energy: -65.842 bonds (distance) P-C4' energy: -88.866 flat angles C4'-P-C4' energy: -96.033 flat angles P-C4'-P energy: -64.184 tors. eta vs tors. theta energy: -115.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -1249.912298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.912298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.912298 (E_RNA) where: Base-Base interactions energy: -843.197 where: short stacking energy: -362.727 Base-Backbone interact. energy: -1.775 local terms energy: -404.939934 where: bonds (distance) C4'-P energy: -83.820 bonds (distance) P-C4' energy: -71.792 flat angles C4'-P-C4' energy: -82.036 flat angles P-C4'-P energy: -59.053 tors. eta vs tors. theta energy: -108.239 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: 8 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -1168.077805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.077805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.077805 (E_RNA) where: Base-Base interactions energy: -763.471 where: short stacking energy: -338.832 Base-Backbone interact. energy: -1.972 local terms energy: -402.634925 where: bonds (distance) C4'-P energy: -73.285 bonds (distance) P-C4' energy: -87.032 flat angles C4'-P-C4' energy: -95.639 flat angles P-C4'-P energy: -54.626 tors. eta vs tors. theta energy: -92.053 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: 9 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -1140.800776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.800776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.800776 (E_RNA) where: Base-Base interactions energy: -761.177 where: short stacking energy: -331.437 Base-Backbone interact. energy: -0.786 local terms energy: -378.837893 where: bonds (distance) C4'-P energy: -74.233 bonds (distance) P-C4' energy: -71.751 flat angles C4'-P-C4' energy: -75.850 flat angles P-C4'-P energy: -50.825 tors. eta vs tors. theta energy: -106.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -973.060455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.060455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.060455 (E_RNA) where: Base-Base interactions energy: -620.248 where: short stacking energy: -268.702 Base-Backbone interact. energy: -2.757 local terms energy: -350.055067 where: bonds (distance) C4'-P energy: -71.513 bonds (distance) P-C4' energy: -75.651 flat angles C4'-P-C4' energy: -79.781 flat angles P-C4'-P energy: -61.549 tors. eta vs tors. theta energy: -61.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -880.565759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.565759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.565759 (E_RNA) where: Base-Base interactions energy: -545.372 where: short stacking energy: -252.976 Base-Backbone interact. energy: -0.617 local terms energy: -334.576636 where: bonds (distance) C4'-P energy: -81.332 bonds (distance) P-C4' energy: -70.123 flat angles C4'-P-C4' energy: -80.025 flat angles P-C4'-P energy: -44.463 tors. eta vs tors. theta energy: -58.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -625.616085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.616085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.616085 (E_RNA) where: Base-Base interactions energy: -346.366 where: short stacking energy: -183.421 Base-Backbone interact. energy: -1.307 local terms energy: -277.942774 where: bonds (distance) C4'-P energy: -73.348 bonds (distance) P-C4' energy: -73.072 flat angles C4'-P-C4' energy: -54.330 flat angles P-C4'-P energy: -43.137 tors. eta vs tors. theta energy: -34.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -537.019902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.019902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.019902 (E_RNA) where: Base-Base interactions energy: -277.066 where: short stacking energy: -139.199 Base-Backbone interact. energy: 2.247 local terms energy: -262.200893 where: bonds (distance) C4'-P energy: -78.297 bonds (distance) P-C4' energy: -73.922 flat angles C4'-P-C4' energy: -66.343 flat angles P-C4'-P energy: -31.908 tors. eta vs tors. theta energy: -11.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -319.630110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.630110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.630110 (E_RNA) where: Base-Base interactions energy: -108.177 where: short stacking energy: -87.378 Base-Backbone interact. energy: -0.451 local terms energy: -211.002842 where: bonds (distance) C4'-P energy: -68.566 bonds (distance) P-C4' energy: -74.573 flat angles C4'-P-C4' energy: -54.503 flat angles P-C4'-P energy: -24.933 tors. eta vs tors. theta energy: 11.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -1374.105116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.105116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.105116 (E_RNA) where: Base-Base interactions energy: -946.952 where: short stacking energy: -411.691 Base-Backbone interact. energy: -2.706 local terms energy: -424.447321 where: bonds (distance) C4'-P energy: -80.837 bonds (distance) P-C4' energy: -76.886 flat angles C4'-P-C4' energy: -91.104 flat angles P-C4'-P energy: -58.994 tors. eta vs tors. theta energy: -116.626 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: 5 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -1311.736052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.736052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.736052 (E_RNA) where: Base-Base interactions energy: -897.119 where: short stacking energy: -391.611 Base-Backbone interact. energy: -1.006 local terms energy: -413.611935 where: bonds (distance) C4'-P energy: -75.726 bonds (distance) P-C4' energy: -69.249 flat angles C4'-P-C4' energy: -91.903 flat angles P-C4'-P energy: -58.419 tors. eta vs tors. theta energy: -118.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -1237.032938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.032938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.032938 (E_RNA) where: Base-Base interactions energy: -850.307 where: short stacking energy: -349.820 Base-Backbone interact. energy: 3.947 local terms energy: -390.673468 where: bonds (distance) C4'-P energy: -73.659 bonds (distance) P-C4' energy: -79.244 flat angles C4'-P-C4' energy: -72.168 flat angles P-C4'-P energy: -59.697 tors. eta vs tors. theta energy: -105.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -1176.869706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.869706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.869706 (E_RNA) where: Base-Base interactions energy: -806.531 where: short stacking energy: -343.248 Base-Backbone interact. energy: -1.244 local terms energy: -369.094555 where: bonds (distance) C4'-P energy: -76.792 bonds (distance) P-C4' energy: -69.883 flat angles C4'-P-C4' energy: -72.401 flat angles P-C4'-P energy: -53.657 tors. eta vs tors. theta energy: -96.361 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: 9 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -1154.081300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.081300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.081300 (E_RNA) where: Base-Base interactions energy: -764.036 where: short stacking energy: -312.116 Base-Backbone interact. energy: -2.445 local terms energy: -387.600105 where: bonds (distance) C4'-P energy: -72.497 bonds (distance) P-C4' energy: -75.434 flat angles C4'-P-C4' energy: -95.386 flat angles P-C4'-P energy: -57.064 tors. eta vs tors. theta energy: -87.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -956.237207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.237207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.237207 (E_RNA) where: Base-Base interactions energy: -630.926 where: short stacking energy: -265.602 Base-Backbone interact. energy: -1.219 local terms energy: -324.092555 where: bonds (distance) C4'-P energy: -73.791 bonds (distance) P-C4' energy: -81.619 flat angles C4'-P-C4' energy: -70.808 flat angles P-C4'-P energy: -34.725 tors. eta vs tors. theta energy: -63.149 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: 7 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -920.290470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.290470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.290470 (E_RNA) where: Base-Base interactions energy: -592.555 where: short stacking energy: -267.859 Base-Backbone interact. energy: -1.167 local terms energy: -326.568694 where: bonds (distance) C4'-P energy: -72.691 bonds (distance) P-C4' energy: -68.170 flat angles C4'-P-C4' energy: -63.573 flat angles P-C4'-P energy: -51.683 tors. eta vs tors. theta energy: -70.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -584.268655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.268655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.268655 (E_RNA) where: Base-Base interactions energy: -316.549 where: short stacking energy: -173.448 Base-Backbone interact. energy: 1.011 local terms energy: -268.730622 where: bonds (distance) C4'-P energy: -58.456 bonds (distance) P-C4' energy: -82.570 flat angles C4'-P-C4' energy: -74.369 flat angles P-C4'-P energy: -24.349 tors. eta vs tors. theta energy: -28.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -507.562033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.562033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.562033 (E_RNA) where: Base-Base interactions energy: -268.073 where: short stacking energy: -138.458 Base-Backbone interact. energy: -1.387 local terms energy: -238.102888 where: bonds (distance) C4'-P energy: -69.578 bonds (distance) P-C4' energy: -77.864 flat angles C4'-P-C4' energy: -61.688 flat angles P-C4'-P energy: -31.255 tors. eta vs tors. theta energy: 2.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -326.503014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.503014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.503014 (E_RNA) where: Base-Base interactions energy: -122.702 where: short stacking energy: -96.572 Base-Backbone interact. energy: -1.505 local terms energy: -202.295976 where: bonds (distance) C4'-P energy: -49.369 bonds (distance) P-C4' energy: -74.692 flat angles C4'-P-C4' energy: -66.152 flat angles P-C4'-P energy: -27.211 tors. eta vs tors. theta energy: 15.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -1380.162867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.162867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.162867 (E_RNA) where: Base-Base interactions energy: -948.144 where: short stacking energy: -391.381 Base-Backbone interact. energy: -1.193 local terms energy: -430.826182 where: bonds (distance) C4'-P energy: -87.328 bonds (distance) P-C4' energy: -84.989 flat angles C4'-P-C4' energy: -93.255 flat angles P-C4'-P energy: -50.808 tors. eta vs tors. theta energy: -114.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -1293.972764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.972764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.972764 (E_RNA) where: Base-Base interactions energy: -872.883 where: short stacking energy: -381.368 Base-Backbone interact. energy: -1.005 local terms energy: -420.084128 where: bonds (distance) C4'-P energy: -80.610 bonds (distance) P-C4' energy: -76.916 flat angles C4'-P-C4' energy: -84.245 flat angles P-C4'-P energy: -61.967 tors. eta vs tors. theta energy: -116.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -1249.081306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.081306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.081306 (E_RNA) where: Base-Base interactions energy: -869.645 where: short stacking energy: -345.373 Base-Backbone interact. energy: -3.168 local terms energy: -376.268461 where: bonds (distance) C4'-P energy: -71.049 bonds (distance) P-C4' energy: -75.622 flat angles C4'-P-C4' energy: -86.716 flat angles P-C4'-P energy: -47.143 tors. eta vs tors. theta energy: -95.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -1209.416438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.416438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.416438 (E_RNA) where: Base-Base interactions energy: -796.041 where: short stacking energy: -345.878 Base-Backbone interact. energy: -1.945 local terms energy: -411.429775 where: bonds (distance) C4'-P energy: -72.315 bonds (distance) P-C4' energy: -89.773 flat angles C4'-P-C4' energy: -93.762 flat angles P-C4'-P energy: -58.043 tors. eta vs tors. theta energy: -97.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -1167.868011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.868011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.868011 (E_RNA) where: Base-Base interactions energy: -776.876 where: short stacking energy: -371.075 Base-Backbone interact. energy: 0.533 local terms energy: -391.525033 where: bonds (distance) C4'-P energy: -81.327 bonds (distance) P-C4' energy: -76.659 flat angles C4'-P-C4' energy: -76.670 flat angles P-C4'-P energy: -52.063 tors. eta vs tors. theta energy: -104.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -939.386260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.386260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.386260 (E_RNA) where: Base-Base interactions energy: -615.612 where: short stacking energy: -292.626 Base-Backbone interact. energy: -1.546 local terms energy: -322.228315 where: bonds (distance) C4'-P energy: -69.922 bonds (distance) P-C4' energy: -66.083 flat angles C4'-P-C4' energy: -73.821 flat angles P-C4'-P energy: -50.539 tors. eta vs tors. theta energy: -61.863 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: 7 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -883.666951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.666951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.666951 (E_RNA) where: Base-Base interactions energy: -569.544 where: short stacking energy: -261.450 Base-Backbone interact. energy: -0.807 local terms energy: -313.315372 where: bonds (distance) C4'-P energy: -65.388 bonds (distance) P-C4' energy: -65.024 flat angles C4'-P-C4' energy: -65.203 flat angles P-C4'-P energy: -47.103 tors. eta vs tors. theta energy: -70.597 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: 2 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -618.911104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.911104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.911104 (E_RNA) where: Base-Base interactions energy: -356.563 where: short stacking energy: -191.061 Base-Backbone interact. energy: 0.002 local terms energy: -262.350217 where: bonds (distance) C4'-P energy: -49.819 bonds (distance) P-C4' energy: -61.554 flat angles C4'-P-C4' energy: -72.381 flat angles P-C4'-P energy: -48.569 tors. eta vs tors. theta energy: -30.027 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: 4 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -459.424290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.424290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.424290 (E_RNA) where: Base-Base interactions energy: -196.162 where: short stacking energy: -111.215 Base-Backbone interact. energy: -0.554 local terms energy: -262.708548 where: bonds (distance) C4'-P energy: -73.216 bonds (distance) P-C4' energy: -76.031 flat angles C4'-P-C4' energy: -65.195 flat angles P-C4'-P energy: -45.599 tors. eta vs tors. theta energy: -2.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -326.477962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.477962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.477962 (E_RNA) where: Base-Base interactions energy: -132.592 where: short stacking energy: -95.265 Base-Backbone interact. energy: -0.378 local terms energy: -193.508013 where: bonds (distance) C4'-P energy: -75.181 bonds (distance) P-C4' energy: -62.361 flat angles C4'-P-C4' energy: -49.984 flat angles P-C4'-P energy: -33.256 tors. eta vs tors. theta energy: 27.276 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: 3 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -1368.529218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.529218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.529218 (E_RNA) where: Base-Base interactions energy: -961.187 where: short stacking energy: -407.389 Base-Backbone interact. energy: 1.114 local terms energy: -408.456637 where: bonds (distance) C4'-P energy: -79.524 bonds (distance) P-C4' energy: -68.217 flat angles C4'-P-C4' energy: -93.385 flat angles P-C4'-P energy: -55.937 tors. eta vs tors. theta energy: -111.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -1306.428979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.428979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.428979 (E_RNA) where: Base-Base interactions energy: -895.494 where: short stacking energy: -392.069 Base-Backbone interact. energy: -0.551 local terms energy: -410.384520 where: bonds (distance) C4'-P energy: -77.343 bonds (distance) P-C4' energy: -79.968 flat angles C4'-P-C4' energy: -82.535 flat angles P-C4'-P energy: -58.465 tors. eta vs tors. theta energy: -112.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -1287.480264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.480264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.480264 (E_RNA) where: Base-Base interactions energy: -875.384 where: short stacking energy: -369.595 Base-Backbone interact. energy: -2.923 local terms energy: -409.172653 where: bonds (distance) C4'-P energy: -78.346 bonds (distance) P-C4' energy: -81.803 flat angles C4'-P-C4' energy: -89.385 flat angles P-C4'-P energy: -62.431 tors. eta vs tors. theta energy: -97.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -1201.732076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.732076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.732076 (E_RNA) where: Base-Base interactions energy: -803.187 where: short stacking energy: -354.217 Base-Backbone interact. energy: 0.755 local terms energy: -399.300213 where: bonds (distance) C4'-P energy: -74.768 bonds (distance) P-C4' energy: -74.680 flat angles C4'-P-C4' energy: -97.155 flat angles P-C4'-P energy: -56.472 tors. eta vs tors. theta energy: -96.225 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: 230 Temperature: 1.100000 Total energy: -1179.476776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.476776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.476776 (E_RNA) where: Base-Base interactions energy: -807.071 where: short stacking energy: -348.836 Base-Backbone interact. energy: 3.953 local terms energy: -376.359022 where: bonds (distance) C4'-P energy: -68.225 bonds (distance) P-C4' energy: -67.268 flat angles C4'-P-C4' energy: -80.061 flat angles P-C4'-P energy: -52.144 tors. eta vs tors. theta energy: -108.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -936.454539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.454539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.454539 (E_RNA) where: Base-Base interactions energy: -631.014 where: short stacking energy: -288.030 Base-Backbone interact. energy: -3.470 local terms energy: -301.970721 where: bonds (distance) C4'-P energy: -55.125 bonds (distance) P-C4' energy: -66.634 flat angles C4'-P-C4' energy: -77.787 flat angles P-C4'-P energy: -46.239 tors. eta vs tors. theta energy: -56.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -900.745452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.745452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.745452 (E_RNA) where: Base-Base interactions energy: -581.648 where: short stacking energy: -250.593 Base-Backbone interact. energy: 0.701 local terms energy: -319.798272 where: bonds (distance) C4'-P energy: -72.912 bonds (distance) P-C4' energy: -69.365 flat angles C4'-P-C4' energy: -81.035 flat angles P-C4'-P energy: -40.665 tors. eta vs tors. theta energy: -55.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -643.376645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.376645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.376645 (E_RNA) where: Base-Base interactions energy: -387.239 where: short stacking energy: -194.213 Base-Backbone interact. energy: 1.877 local terms energy: -258.014572 where: bonds (distance) C4'-P energy: -63.517 bonds (distance) P-C4' energy: -60.611 flat angles C4'-P-C4' energy: -66.630 flat angles P-C4'-P energy: -47.260 tors. eta vs tors. theta energy: -19.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -476.624441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.624441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.624441 (E_RNA) where: Base-Base interactions energy: -240.490 where: short stacking energy: -155.024 Base-Backbone interact. energy: 1.985 local terms energy: -238.119411 where: bonds (distance) C4'-P energy: -61.590 bonds (distance) P-C4' energy: -76.865 flat angles C4'-P-C4' energy: -54.908 flat angles P-C4'-P energy: -38.275 tors. eta vs tors. theta energy: -6.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -340.892349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.892349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.892349 (E_RNA) where: Base-Base interactions energy: -127.198 where: short stacking energy: -111.251 Base-Backbone interact. energy: 0.209 local terms energy: -213.903101 where: bonds (distance) C4'-P energy: -53.236 bonds (distance) P-C4' energy: -69.704 flat angles C4'-P-C4' energy: -60.949 flat angles P-C4'-P energy: -22.777 tors. eta vs tors. theta energy: -7.238 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: 3 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -1377.970267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.970267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.970267 (E_RNA) where: Base-Base interactions energy: -947.947 where: short stacking energy: -382.770 Base-Backbone interact. energy: 0.188 local terms energy: -430.210731 where: bonds (distance) C4'-P energy: -75.383 bonds (distance) P-C4' energy: -84.725 flat angles C4'-P-C4' energy: -93.396 flat angles P-C4'-P energy: -59.664 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: 2, replica: 5 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -1327.465438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.465438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.465438 (E_RNA) where: Base-Base interactions energy: -880.002 where: short stacking energy: -408.249 Base-Backbone interact. energy: -1.461 local terms energy: -446.001918 where: bonds (distance) C4'-P energy: -72.650 bonds (distance) P-C4' energy: -92.201 flat angles C4'-P-C4' energy: -89.606 flat angles P-C4'-P energy: -67.931 tors. eta vs tors. theta energy: -123.614 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: 3, replica: 1 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -1279.245820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.245820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.245820 (E_RNA) where: Base-Base interactions energy: -889.723 where: short stacking energy: -370.897 Base-Backbone interact. energy: -0.603 local terms energy: -388.919789 where: bonds (distance) C4'-P energy: -78.325 bonds (distance) P-C4' energy: -70.646 flat angles C4'-P-C4' energy: -84.526 flat angles P-C4'-P energy: -42.468 tors. eta vs tors. theta energy: -112.955 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: 9 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -1225.828685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.828685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.828685 (E_RNA) where: Base-Base interactions energy: -827.953 where: short stacking energy: -333.529 Base-Backbone interact. energy: 1.501 local terms energy: -399.377067 where: bonds (distance) C4'-P energy: -77.097 bonds (distance) P-C4' energy: -76.750 flat angles C4'-P-C4' energy: -90.970 flat angles P-C4'-P energy: -61.833 tors. eta vs tors. theta energy: -92.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -1179.689775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.689775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.689775 (E_RNA) where: Base-Base interactions energy: -796.306 where: short stacking energy: -354.511 Base-Backbone interact. energy: -0.442 local terms energy: -382.940974 where: bonds (distance) C4'-P energy: -77.026 bonds (distance) P-C4' energy: -73.234 flat angles C4'-P-C4' energy: -88.654 flat angles P-C4'-P energy: -38.738 tors. eta vs tors. theta energy: -105.288 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: 231 Temperature: 1.150000 Total energy: -962.977075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.977075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.977075 (E_RNA) where: Base-Base interactions energy: -617.039 where: short stacking energy: -266.595 Base-Backbone interact. energy: -1.612 local terms energy: -344.325731 where: bonds (distance) C4'-P energy: -74.295 bonds (distance) P-C4' energy: -85.615 flat angles C4'-P-C4' energy: -72.278 flat angles P-C4'-P energy: -45.695 tors. eta vs tors. theta energy: -66.443 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: 7 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -866.154570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.154570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.154570 (E_RNA) where: Base-Base interactions energy: -528.200 where: short stacking energy: -250.232 Base-Backbone interact. energy: -1.555 local terms energy: -336.399688 where: bonds (distance) C4'-P energy: -71.397 bonds (distance) P-C4' energy: -80.020 flat angles C4'-P-C4' energy: -82.055 flat angles P-C4'-P energy: -33.842 tors. eta vs tors. theta energy: -69.086 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: 2 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -602.884668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.884668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.884668 (E_RNA) where: Base-Base interactions energy: -348.493 where: short stacking energy: -167.552 Base-Backbone interact. energy: 0.910 local terms energy: -255.301257 where: bonds (distance) C4'-P energy: -50.667 bonds (distance) P-C4' energy: -65.532 flat angles C4'-P-C4' energy: -73.634 flat angles P-C4'-P energy: -46.084 tors. eta vs tors. theta energy: -19.384 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: 4 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -472.623224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.623224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.623224 (E_RNA) where: Base-Base interactions energy: -236.952 where: short stacking energy: -129.064 Base-Backbone interact. energy: -0.525 local terms energy: -235.146957 where: bonds (distance) C4'-P energy: -54.185 bonds (distance) P-C4' energy: -72.896 flat angles C4'-P-C4' energy: -64.611 flat angles P-C4'-P energy: -51.130 tors. eta vs tors. theta energy: 7.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -325.065496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.065496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.065496 (E_RNA) where: Base-Base interactions energy: -104.602 where: short stacking energy: -98.858 Base-Backbone interact. energy: 1.962 local terms energy: -222.425724 where: bonds (distance) C4'-P energy: -57.796 bonds (distance) P-C4' energy: -73.026 flat angles C4'-P-C4' energy: -61.083 flat angles P-C4'-P energy: -26.365 tors. eta vs tors. theta energy: -4.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -1381.709040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.709040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.709040 (E_RNA) where: Base-Base interactions energy: -959.181 where: short stacking energy: -396.971 Base-Backbone interact. energy: 2.525 local terms energy: -425.053877 where: bonds (distance) C4'-P energy: -71.679 bonds (distance) P-C4' energy: -89.820 flat angles C4'-P-C4' energy: -90.055 flat angles P-C4'-P energy: -55.383 tors. eta vs tors. theta energy: -118.116 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: 5 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -1325.076700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.076700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.076700 (E_RNA) where: Base-Base interactions energy: -903.289 where: short stacking energy: -395.953 Base-Backbone interact. energy: -0.316 local terms energy: -421.471361 where: bonds (distance) C4'-P energy: -85.168 bonds (distance) P-C4' energy: -73.289 flat angles C4'-P-C4' energy: -95.436 flat angles P-C4'-P energy: -53.879 tors. eta vs tors. theta energy: -113.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -1283.676915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.676915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.676915 (E_RNA) where: Base-Base interactions energy: -888.924 where: short stacking energy: -362.321 Base-Backbone interact. energy: -2.505 local terms energy: -392.247815 where: bonds (distance) C4'-P energy: -78.297 bonds (distance) P-C4' energy: -77.257 flat angles C4'-P-C4' energy: -79.664 flat angles P-C4'-P energy: -52.041 tors. eta vs tors. theta energy: -104.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -1242.018396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.018396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.018396 (E_RNA) where: Base-Base interactions energy: -862.621 where: short stacking energy: -354.249 Base-Backbone interact. energy: -2.657 local terms energy: -376.740218 where: bonds (distance) C4'-P energy: -74.495 bonds (distance) P-C4' energy: -80.407 flat angles C4'-P-C4' energy: -81.137 flat angles P-C4'-P energy: -54.328 tors. eta vs tors. theta energy: -86.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -1187.346343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.346343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.346343 (E_RNA) where: Base-Base interactions energy: -789.976 where: short stacking energy: -341.931 Base-Backbone interact. energy: -1.111 local terms energy: -396.259621 where: bonds (distance) C4'-P energy: -75.142 bonds (distance) P-C4' energy: -85.161 flat angles C4'-P-C4' energy: -75.506 flat angles P-C4'-P energy: -48.885 tors. eta vs tors. theta energy: -111.566 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: 6 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -930.376533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.376533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.376533 (E_RNA) where: Base-Base interactions energy: -599.823 where: short stacking energy: -267.506 Base-Backbone interact. energy: -2.022 local terms energy: -328.531613 where: bonds (distance) C4'-P energy: -71.461 bonds (distance) P-C4' energy: -81.207 flat angles C4'-P-C4' energy: -64.582 flat angles P-C4'-P energy: -52.045 tors. eta vs tors. theta energy: -59.237 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: 7 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -861.809100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.809100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.809100 (E_RNA) where: Base-Base interactions energy: -534.768 where: short stacking energy: -223.621 Base-Backbone interact. energy: -1.837 local terms energy: -325.203504 where: bonds (distance) C4'-P energy: -63.710 bonds (distance) P-C4' energy: -78.584 flat angles C4'-P-C4' energy: -74.540 flat angles P-C4'-P energy: -49.260 tors. eta vs tors. theta energy: -59.110 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: 8, replica: 2 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -645.308749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.308749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.308749 (E_RNA) where: Base-Base interactions energy: -365.762 where: short stacking energy: -196.956 Base-Backbone interact. energy: -0.357 local terms energy: -279.190124 where: bonds (distance) C4'-P energy: -63.394 bonds (distance) P-C4' energy: -85.272 flat angles C4'-P-C4' energy: -56.677 flat angles P-C4'-P energy: -29.285 tors. eta vs tors. theta energy: -44.562 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: 4 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -490.249897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.249897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.249897 (E_RNA) where: Base-Base interactions energy: -250.124 where: short stacking energy: -158.021 Base-Backbone interact. energy: 5.559 local terms energy: -245.684468 where: bonds (distance) C4'-P energy: -45.796 bonds (distance) P-C4' energy: -62.920 flat angles C4'-P-C4' energy: -77.334 flat angles P-C4'-P energy: -44.760 tors. eta vs tors. theta energy: -14.875 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: 10 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -325.641134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.641134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.641134 (E_RNA) where: Base-Base interactions energy: -100.977 where: short stacking energy: -93.104 Base-Backbone interact. energy: -1.098 local terms energy: -223.565985 where: bonds (distance) C4'-P energy: -63.701 bonds (distance) P-C4' energy: -73.339 flat angles C4'-P-C4' energy: -55.015 flat angles P-C4'-P energy: -32.581 tors. eta vs tors. theta energy: 1.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -1376.252907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.252907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.252907 (E_RNA) where: Base-Base interactions energy: -947.657 where: short stacking energy: -404.942 Base-Backbone interact. energy: -1.776 local terms energy: -426.820624 where: bonds (distance) C4'-P energy: -82.437 bonds (distance) P-C4' energy: -79.508 flat angles C4'-P-C4' energy: -83.984 flat angles P-C4'-P energy: -62.045 tors. eta vs tors. theta energy: -118.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -1311.172550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.172550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.172550 (E_RNA) where: Base-Base interactions energy: -873.274 where: short stacking energy: -380.966 Base-Backbone interact. energy: -1.115 local terms energy: -436.784311 where: bonds (distance) C4'-P energy: -86.762 bonds (distance) P-C4' energy: -79.668 flat angles C4'-P-C4' energy: -84.153 flat angles P-C4'-P energy: -59.939 tors. eta vs tors. theta energy: -126.262 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: 1 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -1254.044424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.044424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.044424 (E_RNA) where: Base-Base interactions energy: -881.153 where: short stacking energy: -379.412 Base-Backbone interact. energy: 0.025 local terms energy: -372.917118 where: bonds (distance) C4'-P energy: -72.633 bonds (distance) P-C4' energy: -72.969 flat angles C4'-P-C4' energy: -71.896 flat angles P-C4'-P energy: -44.147 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: 4, replica: 9 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -1211.557924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.557924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.557924 (E_RNA) where: Base-Base interactions energy: -820.006 where: short stacking energy: -340.713 Base-Backbone interact. energy: -0.277 local terms energy: -391.275069 where: bonds (distance) C4'-P energy: -72.134 bonds (distance) P-C4' energy: -86.776 flat angles C4'-P-C4' energy: -82.073 flat angles P-C4'-P energy: -53.847 tors. eta vs tors. theta energy: -96.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -1145.203921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.203921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.203921 (E_RNA) where: Base-Base interactions energy: -779.832 where: short stacking energy: -339.059 Base-Backbone interact. energy: -0.621 local terms energy: -364.750534 where: bonds (distance) C4'-P energy: -77.556 bonds (distance) P-C4' energy: -66.393 flat angles C4'-P-C4' energy: -70.611 flat angles P-C4'-P energy: -54.388 tors. eta vs tors. theta energy: -95.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -927.071265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.071265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.071265 (E_RNA) where: Base-Base interactions energy: -605.707 where: short stacking energy: -251.525 Base-Backbone interact. energy: -2.387 local terms energy: -318.977605 where: bonds (distance) C4'-P energy: -70.877 bonds (distance) P-C4' energy: -82.922 flat angles C4'-P-C4' energy: -64.300 flat angles P-C4'-P energy: -53.343 tors. eta vs tors. theta energy: -47.535 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: 7, replica: 7 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -873.556576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.556576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.556576 (E_RNA) where: Base-Base interactions energy: -569.537 where: short stacking energy: -244.024 Base-Backbone interact. energy: 2.050 local terms energy: -306.069821 where: bonds (distance) C4'-P energy: -74.280 bonds (distance) P-C4' energy: -79.492 flat angles C4'-P-C4' energy: -68.690 flat angles P-C4'-P energy: -38.882 tors. eta vs tors. theta energy: -44.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -711.631272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.631272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.631272 (E_RNA) where: Base-Base interactions energy: -407.294 where: short stacking energy: -204.994 Base-Backbone interact. energy: 0.226 local terms energy: -304.563564 where: bonds (distance) C4'-P energy: -71.685 bonds (distance) P-C4' energy: -75.193 flat angles C4'-P-C4' energy: -77.227 flat angles P-C4'-P energy: -41.848 tors. eta vs tors. theta energy: -38.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -477.090278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.090278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.090278 (E_RNA) where: Base-Base interactions energy: -229.121 where: short stacking energy: -129.094 Base-Backbone interact. energy: -0.660 local terms energy: -247.309383 where: bonds (distance) C4'-P energy: -62.684 bonds (distance) P-C4' energy: -67.037 flat angles C4'-P-C4' energy: -64.507 flat angles P-C4'-P energy: -35.919 tors. eta vs tors. theta energy: -17.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -327.764393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.764393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.764393 (E_RNA) where: Base-Base interactions energy: -87.810 where: short stacking energy: -82.839 Base-Backbone interact. energy: 0.150 local terms energy: -240.104726 where: bonds (distance) C4'-P energy: -68.099 bonds (distance) P-C4' energy: -69.296 flat angles C4'-P-C4' energy: -59.139 flat angles P-C4'-P energy: -46.435 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: 3 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -1403.006877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.006877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.006877 (E_RNA) where: Base-Base interactions energy: -974.131 where: short stacking energy: -424.675 Base-Backbone interact. energy: -3.322 local terms energy: -425.554712 where: bonds (distance) C4'-P energy: -71.387 bonds (distance) P-C4' energy: -82.258 flat angles C4'-P-C4' energy: -90.000 flat angles P-C4'-P energy: -56.909 tors. eta vs tors. theta energy: -125.001 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: 2, replica: 5 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -1327.629455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.629455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.629455 (E_RNA) where: Base-Base interactions energy: -897.247 where: short stacking energy: -403.120 Base-Backbone interact. energy: -2.971 local terms energy: -427.411880 where: bonds (distance) C4'-P energy: -74.680 bonds (distance) P-C4' energy: -90.395 flat angles C4'-P-C4' energy: -85.374 flat angles P-C4'-P energy: -54.574 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: 3, replica: 1 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -1268.339441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.339441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.339441 (E_RNA) where: Base-Base interactions energy: -877.294 where: short stacking energy: -371.600 Base-Backbone interact. energy: -2.161 local terms energy: -388.884906 where: bonds (distance) C4'-P energy: -75.526 bonds (distance) P-C4' energy: -66.961 flat angles C4'-P-C4' energy: -84.885 flat angles P-C4'-P energy: -56.695 tors. eta vs tors. theta energy: -104.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -1235.409720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.409720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.409720 (E_RNA) where: Base-Base interactions energy: -861.313 where: short stacking energy: -329.629 Base-Backbone interact. energy: -0.949 local terms energy: -373.147159 where: bonds (distance) C4'-P energy: -77.708 bonds (distance) P-C4' energy: -69.401 flat angles C4'-P-C4' energy: -74.322 flat angles P-C4'-P energy: -59.747 tors. eta vs tors. theta energy: -91.969 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: 5, replica: 8 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -1133.113609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.113609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.113609 (E_RNA) where: Base-Base interactions energy: -752.871 where: short stacking energy: -301.639 Base-Backbone interact. energy: 0.130 local terms energy: -380.373041 where: bonds (distance) C4'-P energy: -64.094 bonds (distance) P-C4' energy: -76.985 flat angles C4'-P-C4' energy: -88.913 flat angles P-C4'-P energy: -57.638 tors. eta vs tors. theta energy: -92.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -923.207197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.207197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.207197 (E_RNA) where: Base-Base interactions energy: -587.655 where: short stacking energy: -258.749 Base-Backbone interact. energy: -0.524 local terms energy: -335.027876 where: bonds (distance) C4'-P energy: -68.326 bonds (distance) P-C4' energy: -76.078 flat angles C4'-P-C4' energy: -68.092 flat angles P-C4'-P energy: -62.254 tors. eta vs tors. theta energy: -60.279 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: 7 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -834.104622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.104622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.104622 (E_RNA) where: Base-Base interactions energy: -526.357 where: short stacking energy: -237.327 Base-Backbone interact. energy: -2.347 local terms energy: -305.400513 where: bonds (distance) C4'-P energy: -77.355 bonds (distance) P-C4' energy: -78.736 flat angles C4'-P-C4' energy: -66.123 flat angles P-C4'-P energy: -29.125 tors. eta vs tors. theta energy: -54.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -673.575917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.575917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.575917 (E_RNA) where: Base-Base interactions energy: -396.123 where: short stacking energy: -195.867 Base-Backbone interact. energy: -1.751 local terms energy: -275.702827 where: bonds (distance) C4'-P energy: -62.865 bonds (distance) P-C4' energy: -76.731 flat angles C4'-P-C4' energy: -59.414 flat angles P-C4'-P energy: -44.531 tors. eta vs tors. theta energy: -32.163 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: 4 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -490.644854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.644854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.644854 (E_RNA) where: Base-Base interactions energy: -223.697 where: short stacking energy: -145.272 Base-Backbone interact. energy: -2.383 local terms energy: -264.565027 where: bonds (distance) C4'-P energy: -58.425 bonds (distance) P-C4' energy: -90.182 flat angles C4'-P-C4' energy: -69.779 flat angles P-C4'-P energy: -33.080 tors. eta vs tors. theta energy: -13.098 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: 10 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -327.813218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.813218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.813218 (E_RNA) where: Base-Base interactions energy: -119.512 where: short stacking energy: -110.322 Base-Backbone interact. energy: 3.437 local terms energy: -211.738184 where: bonds (distance) C4'-P energy: -57.149 bonds (distance) P-C4' energy: -61.410 flat angles C4'-P-C4' energy: -49.066 flat angles P-C4'-P energy: -42.438 tors. eta vs tors. theta energy: -1.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -1369.977545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.977545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.977545 (E_RNA) where: Base-Base interactions energy: -952.670 where: short stacking energy: -401.843 Base-Backbone interact. energy: -3.172 local terms energy: -414.134945 where: bonds (distance) C4'-P energy: -80.246 bonds (distance) P-C4' energy: -73.520 flat angles C4'-P-C4' energy: -84.305 flat angles P-C4'-P energy: -60.388 tors. eta vs tors. theta energy: -115.676 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: 5 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -1331.780526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.780526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.780526 (E_RNA) where: Base-Base interactions energy: -902.715 where: short stacking energy: -376.372 Base-Backbone interact. energy: -1.979 local terms energy: -427.085990 where: bonds (distance) C4'-P energy: -74.717 bonds (distance) P-C4' energy: -85.239 flat angles C4'-P-C4' energy: -88.128 flat angles P-C4'-P energy: -59.261 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: 3, replica: 1 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -1292.106360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.106360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.106360 (E_RNA) where: Base-Base interactions energy: -911.433 where: short stacking energy: -387.342 Base-Backbone interact. energy: -3.128 local terms energy: -377.544823 where: bonds (distance) C4'-P energy: -80.310 bonds (distance) P-C4' energy: -66.074 flat angles C4'-P-C4' energy: -87.789 flat angles P-C4'-P energy: -42.465 tors. eta vs tors. theta energy: -100.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -1240.179762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.179762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.179762 (E_RNA) where: Base-Base interactions energy: -852.232 where: short stacking energy: -348.157 Base-Backbone interact. energy: -0.149 local terms energy: -387.798333 where: bonds (distance) C4'-P energy: -66.590 bonds (distance) P-C4' energy: -72.396 flat angles C4'-P-C4' energy: -85.810 flat angles P-C4'-P energy: -56.675 tors. eta vs tors. theta energy: -106.328 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: 8 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -1150.760640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.760640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.760640 (E_RNA) where: Base-Base interactions energy: -773.055 where: short stacking energy: -335.463 Base-Backbone interact. energy: -1.871 local terms energy: -375.834628 where: bonds (distance) C4'-P energy: -64.037 bonds (distance) P-C4' energy: -75.545 flat angles C4'-P-C4' energy: -81.279 flat angles P-C4'-P energy: -59.375 tors. eta vs tors. theta energy: -95.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -938.070566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.070566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.070566 (E_RNA) where: Base-Base interactions energy: -608.638 where: short stacking energy: -267.530 Base-Backbone interact. energy: -1.159 local terms energy: -328.273854 where: bonds (distance) C4'-P energy: -66.192 bonds (distance) P-C4' energy: -76.695 flat angles C4'-P-C4' energy: -73.471 flat angles P-C4'-P energy: -48.314 tors. eta vs tors. theta energy: -63.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -896.063096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.063096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.063096 (E_RNA) where: Base-Base interactions energy: -563.877 where: short stacking energy: -250.517 Base-Backbone interact. energy: -2.706 local terms energy: -329.480376 where: bonds (distance) C4'-P energy: -79.475 bonds (distance) P-C4' energy: -63.634 flat angles C4'-P-C4' energy: -74.151 flat angles P-C4'-P energy: -54.872 tors. eta vs tors. theta energy: -57.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -695.977819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.977819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.977819 (E_RNA) where: Base-Base interactions energy: -406.177 where: short stacking energy: -170.526 Base-Backbone interact. energy: 0.630 local terms energy: -290.431125 where: bonds (distance) C4'-P energy: -72.412 bonds (distance) P-C4' energy: -70.983 flat angles C4'-P-C4' energy: -73.657 flat angles P-C4'-P energy: -35.615 tors. eta vs tors. theta energy: -37.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -435.934730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.934730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.934730 (E_RNA) where: Base-Base interactions energy: -201.225 where: short stacking energy: -103.917 Base-Backbone interact. energy: 2.263 local terms energy: -236.973286 where: bonds (distance) C4'-P energy: -74.301 bonds (distance) P-C4' energy: -81.583 flat angles C4'-P-C4' energy: -50.168 flat angles P-C4'-P energy: -39.721 tors. eta vs tors. theta energy: 8.800 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: 10, replica: 10 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -313.034140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.034140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.034140 (E_RNA) where: Base-Base interactions energy: -113.511 where: short stacking energy: -91.337 Base-Backbone interact. energy: -1.201 local terms energy: -198.321884 where: bonds (distance) C4'-P energy: -68.514 bonds (distance) P-C4' energy: -57.331 flat angles C4'-P-C4' energy: -47.820 flat angles P-C4'-P energy: -33.797 tors. eta vs tors. theta energy: 9.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -1379.060632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.060632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.060632 (E_RNA) where: Base-Base interactions energy: -956.164 where: short stacking energy: -398.462 Base-Backbone interact. energy: -0.495 local terms energy: -422.402488 where: bonds (distance) C4'-P energy: -80.023 bonds (distance) P-C4' energy: -84.356 flat angles C4'-P-C4' energy: -87.182 flat angles P-C4'-P energy: -61.257 tors. eta vs tors. theta energy: -109.584 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: 5 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -1315.267844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.267844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.267844 (E_RNA) where: Base-Base interactions energy: -884.511 where: short stacking energy: -390.043 Base-Backbone interact. energy: -3.236 local terms energy: -427.520753 where: bonds (distance) C4'-P energy: -76.975 bonds (distance) P-C4' energy: -80.566 flat angles C4'-P-C4' energy: -93.677 flat angles P-C4'-P energy: -54.592 tors. eta vs tors. theta energy: -121.711 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: 1 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -1288.638151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.638151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.638151 (E_RNA) where: Base-Base interactions energy: -901.060 where: short stacking energy: -385.223 Base-Backbone interact. energy: -1.136 local terms energy: -386.442189 where: bonds (distance) C4'-P energy: -70.046 bonds (distance) P-C4' energy: -74.551 flat angles C4'-P-C4' energy: -80.600 flat angles P-C4'-P energy: -46.749 tors. eta vs tors. theta energy: -114.496 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: 4, replica: 9 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -1231.686242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.686242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.686242 (E_RNA) where: Base-Base interactions energy: -845.124 where: short stacking energy: -358.374 Base-Backbone interact. energy: -2.589 local terms energy: -383.974007 where: bonds (distance) C4'-P energy: -65.454 bonds (distance) P-C4' energy: -85.166 flat angles C4'-P-C4' energy: -82.443 flat angles P-C4'-P energy: -52.370 tors. eta vs tors. theta energy: -98.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -1122.674404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.674404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.674404 (E_RNA) where: Base-Base interactions energy: -743.235 where: short stacking energy: -308.983 Base-Backbone interact. energy: 0.273 local terms energy: -379.712336 where: bonds (distance) C4'-P energy: -73.910 bonds (distance) P-C4' energy: -71.372 flat angles C4'-P-C4' energy: -80.922 flat angles P-C4'-P energy: -57.892 tors. eta vs tors. theta energy: -95.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -955.384531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.384531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.384531 (E_RNA) where: Base-Base interactions energy: -640.693 where: short stacking energy: -297.541 Base-Backbone interact. energy: -1.448 local terms energy: -313.243221 where: bonds (distance) C4'-P energy: -71.632 bonds (distance) P-C4' energy: -58.848 flat angles C4'-P-C4' energy: -73.010 flat angles P-C4'-P energy: -35.065 tors. eta vs tors. theta energy: -74.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -798.623134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.623134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.623134 (E_RNA) where: Base-Base interactions energy: -498.556 where: short stacking energy: -228.626 Base-Backbone interact. energy: -0.547 local terms energy: -299.520155 where: bonds (distance) C4'-P energy: -69.848 bonds (distance) P-C4' energy: -67.840 flat angles C4'-P-C4' energy: -67.242 flat angles P-C4'-P energy: -44.479 tors. eta vs tors. theta energy: -50.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -693.987931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.987931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.987931 (E_RNA) where: Base-Base interactions energy: -408.551 where: short stacking energy: -222.029 Base-Backbone interact. energy: -2.261 local terms energy: -283.176316 where: bonds (distance) C4'-P energy: -61.227 bonds (distance) P-C4' energy: -81.832 flat angles C4'-P-C4' energy: -69.345 flat angles P-C4'-P energy: -34.532 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: 4 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -484.664591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.664591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.664591 (E_RNA) where: Base-Base interactions energy: -241.684 where: short stacking energy: -141.492 Base-Backbone interact. energy: 11.615 local terms energy: -254.596145 where: bonds (distance) C4'-P energy: -68.418 bonds (distance) P-C4' energy: -72.578 flat angles C4'-P-C4' energy: -59.323 flat angles P-C4'-P energy: -44.605 tors. eta vs tors. theta energy: -9.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -336.115178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.115178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.115178 (E_RNA) where: Base-Base interactions energy: -110.121 where: short stacking energy: -90.703 Base-Backbone interact. energy: -2.092 local terms energy: -223.901570 where: bonds (distance) C4'-P energy: -51.464 bonds (distance) P-C4' energy: -68.232 flat angles C4'-P-C4' energy: -60.681 flat angles P-C4'-P energy: -44.700 tors. eta vs tors. theta energy: 1.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -1371.446944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.446944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.446944 (E_RNA) where: Base-Base interactions energy: -930.774 where: short stacking energy: -398.020 Base-Backbone interact. energy: -3.011 local terms energy: -437.662584 where: bonds (distance) C4'-P energy: -83.653 bonds (distance) P-C4' energy: -79.688 flat angles C4'-P-C4' energy: -94.587 flat angles P-C4'-P energy: -67.615 tors. eta vs tors. theta energy: -112.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -1319.670387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.670387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.670387 (E_RNA) where: Base-Base interactions energy: -894.773 where: short stacking energy: -395.274 Base-Backbone interact. energy: -2.304 local terms energy: -422.593002 where: bonds (distance) C4'-P energy: -89.635 bonds (distance) P-C4' energy: -68.998 flat angles C4'-P-C4' energy: -90.248 flat angles P-C4'-P energy: -53.498 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: 3, replica: 1 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -1279.854933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.854933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.854933 (E_RNA) where: Base-Base interactions energy: -880.430 where: short stacking energy: -381.466 Base-Backbone interact. energy: 1.293 local terms energy: -400.718218 where: bonds (distance) C4'-P energy: -69.318 bonds (distance) P-C4' energy: -76.957 flat angles C4'-P-C4' energy: -82.956 flat angles P-C4'-P energy: -57.529 tors. eta vs tors. theta energy: -113.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -1182.481253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.481253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.481253 (E_RNA) where: Base-Base interactions energy: -809.043 where: short stacking energy: -342.913 Base-Backbone interact. energy: -1.227 local terms energy: -372.211045 where: bonds (distance) C4'-P energy: -84.976 bonds (distance) P-C4' energy: -70.439 flat angles C4'-P-C4' energy: -77.052 flat angles P-C4'-P energy: -46.304 tors. eta vs tors. theta energy: -93.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -1179.496499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.496499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.496499 (E_RNA) where: Base-Base interactions energy: -781.757 where: short stacking energy: -326.439 Base-Backbone interact. energy: -1.650 local terms energy: -396.089048 where: bonds (distance) C4'-P energy: -83.349 bonds (distance) P-C4' energy: -73.355 flat angles C4'-P-C4' energy: -82.067 flat angles P-C4'-P energy: -64.212 tors. eta vs tors. theta energy: -93.106 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: 237 Temperature: 1.150000 Total energy: -885.320221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.320221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.320221 (E_RNA) where: Base-Base interactions energy: -566.143 where: short stacking energy: -265.690 Base-Backbone interact. energy: 1.078 local terms energy: -320.255048 where: bonds (distance) C4'-P energy: -73.537 bonds (distance) P-C4' energy: -71.921 flat angles C4'-P-C4' energy: -77.859 flat angles P-C4'-P energy: -47.335 tors. eta vs tors. theta energy: -49.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -786.933277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.933277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.933277 (E_RNA) where: Base-Base interactions energy: -492.892 where: short stacking energy: -216.074 Base-Backbone interact. energy: -1.909 local terms energy: -292.132507 where: bonds (distance) C4'-P energy: -52.453 bonds (distance) P-C4' energy: -74.912 flat angles C4'-P-C4' energy: -73.152 flat angles P-C4'-P energy: -49.231 tors. eta vs tors. theta energy: -42.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -661.256136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.256136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.256136 (E_RNA) where: Base-Base interactions energy: -352.321 where: short stacking energy: -181.973 Base-Backbone interact. energy: -1.290 local terms energy: -307.645886 where: bonds (distance) C4'-P energy: -76.319 bonds (distance) P-C4' energy: -82.797 flat angles C4'-P-C4' energy: -57.682 flat angles P-C4'-P energy: -54.877 tors. eta vs tors. theta energy: -35.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -484.171004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.171004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.171004 (E_RNA) where: Base-Base interactions energy: -232.159 where: short stacking energy: -138.825 Base-Backbone interact. energy: 7.138 local terms energy: -259.149516 where: bonds (distance) C4'-P energy: -57.450 bonds (distance) P-C4' energy: -79.122 flat angles C4'-P-C4' energy: -73.599 flat angles P-C4'-P energy: -35.766 tors. eta vs tors. theta energy: -13.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -349.605004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.605004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.605004 (E_RNA) where: Base-Base interactions energy: -130.760 where: short stacking energy: -113.440 Base-Backbone interact. energy: 2.169 local terms energy: -221.013886 where: bonds (distance) C4'-P energy: -54.329 bonds (distance) P-C4' energy: -67.770 flat angles C4'-P-C4' energy: -61.503 flat angles P-C4'-P energy: -38.225 tors. eta vs tors. theta energy: 0.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -1372.783141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.783141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.783141 (E_RNA) where: Base-Base interactions energy: -938.842 where: short stacking energy: -400.704 Base-Backbone interact. energy: -1.652 local terms energy: -432.288712 where: bonds (distance) C4'-P energy: -74.333 bonds (distance) P-C4' energy: -89.642 flat angles C4'-P-C4' energy: -92.323 flat angles P-C4'-P energy: -58.399 tors. eta vs tors. theta energy: -117.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -1313.622858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.622858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.622858 (E_RNA) where: Base-Base interactions energy: -885.684 where: short stacking energy: -392.530 Base-Backbone interact. energy: -0.158 local terms energy: -427.780688 where: bonds (distance) C4'-P energy: -84.689 bonds (distance) P-C4' energy: -81.931 flat angles C4'-P-C4' energy: -86.480 flat angles P-C4'-P energy: -58.665 tors. eta vs tors. theta energy: -116.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -1288.663978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.663978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.663978 (E_RNA) where: Base-Base interactions energy: -877.384 where: short stacking energy: -391.038 Base-Backbone interact. energy: -2.746 local terms energy: -408.533688 where: bonds (distance) C4'-P energy: -79.955 bonds (distance) P-C4' energy: -75.150 flat angles C4'-P-C4' energy: -86.762 flat angles P-C4'-P energy: -53.577 tors. eta vs tors. theta energy: -113.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -1196.336698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.336698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.336698 (E_RNA) where: Base-Base interactions energy: -815.587 where: short stacking energy: -341.367 Base-Backbone interact. energy: -1.177 local terms energy: -379.573416 where: bonds (distance) C4'-P energy: -75.029 bonds (distance) P-C4' energy: -69.235 flat angles C4'-P-C4' energy: -73.041 flat angles P-C4'-P energy: -58.499 tors. eta vs tors. theta energy: -103.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -1159.672898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.672898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.672898 (E_RNA) where: Base-Base interactions energy: -811.597 where: short stacking energy: -336.566 Base-Backbone interact. energy: -2.297 local terms energy: -345.778280 where: bonds (distance) C4'-P energy: -62.266 bonds (distance) P-C4' energy: -68.230 flat angles C4'-P-C4' energy: -74.764 flat angles P-C4'-P energy: -51.398 tors. eta vs tors. theta energy: -89.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -905.106629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.106629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.106629 (E_RNA) where: Base-Base interactions energy: -583.036 where: short stacking energy: -269.385 Base-Backbone interact. energy: -0.694 local terms energy: -321.376750 where: bonds (distance) C4'-P energy: -62.250 bonds (distance) P-C4' energy: -72.657 flat angles C4'-P-C4' energy: -72.126 flat angles P-C4'-P energy: -48.757 tors. eta vs tors. theta energy: -65.587 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: 6 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -776.578789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.578789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.578789 (E_RNA) where: Base-Base interactions energy: -456.050 where: short stacking energy: -219.706 Base-Backbone interact. energy: -0.866 local terms energy: -319.662039 where: bonds (distance) C4'-P energy: -79.723 bonds (distance) P-C4' energy: -69.991 flat angles C4'-P-C4' energy: -71.063 flat angles P-C4'-P energy: -51.474 tors. eta vs tors. theta energy: -47.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -681.376716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.376716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.376716 (E_RNA) where: Base-Base interactions energy: -399.271 where: short stacking energy: -192.232 Base-Backbone interact. energy: -0.260 local terms energy: -281.845872 where: bonds (distance) C4'-P energy: -63.739 bonds (distance) P-C4' energy: -68.950 flat angles C4'-P-C4' energy: -75.896 flat angles P-C4'-P energy: -48.468 tors. eta vs tors. theta energy: -24.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -481.665427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.665427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.665427 (E_RNA) where: Base-Base interactions energy: -231.057 where: short stacking energy: -140.557 Base-Backbone interact. energy: -1.447 local terms energy: -249.161582 where: bonds (distance) C4'-P energy: -66.694 bonds (distance) P-C4' energy: -78.312 flat angles C4'-P-C4' energy: -54.908 flat angles P-C4'-P energy: -38.245 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: 10, replica: 10 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -321.315907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -321.315907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -321.315907 (E_RNA) where: Base-Base interactions energy: -103.514 where: short stacking energy: -90.510 Base-Backbone interact. energy: -0.932 local terms energy: -216.869865 where: bonds (distance) C4'-P energy: -71.952 bonds (distance) P-C4' energy: -71.177 flat angles C4'-P-C4' energy: -46.430 flat angles P-C4'-P energy: -40.571 tors. eta vs tors. theta energy: 13.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -1387.020345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.020345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.020345 (E_RNA) where: Base-Base interactions energy: -965.091 where: short stacking energy: -396.478 Base-Backbone interact. energy: -1.546 local terms energy: -420.383988 where: bonds (distance) C4'-P energy: -72.443 bonds (distance) P-C4' energy: -78.600 flat angles C4'-P-C4' energy: -98.455 flat angles P-C4'-P energy: -58.129 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: 2, replica: 5 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -1321.807990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.807990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.807990 (E_RNA) where: Base-Base interactions energy: -892.668 where: short stacking energy: -396.948 Base-Backbone interact. energy: -0.610 local terms energy: -428.529836 where: bonds (distance) C4'-P energy: -70.242 bonds (distance) P-C4' energy: -81.224 flat angles C4'-P-C4' energy: -91.583 flat angles P-C4'-P energy: -59.414 tors. eta vs tors. theta energy: -126.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -1287.622098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.622098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.622098 (E_RNA) where: Base-Base interactions energy: -891.401 where: short stacking energy: -377.797 Base-Backbone interact. energy: -1.921 local terms energy: -394.300476 where: bonds (distance) C4'-P energy: -71.519 bonds (distance) P-C4' energy: -79.166 flat angles C4'-P-C4' energy: -82.039 flat angles P-C4'-P energy: -51.265 tors. eta vs tors. theta energy: -110.311 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: 8 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -1199.454908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.454908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.454908 (E_RNA) where: Base-Base interactions energy: -812.790 where: short stacking energy: -368.612 Base-Backbone interact. energy: -0.662 local terms energy: -386.002210 where: bonds (distance) C4'-P energy: -70.510 bonds (distance) P-C4' energy: -78.464 flat angles C4'-P-C4' energy: -67.487 flat angles P-C4'-P energy: -62.214 tors. eta vs tors. theta energy: -107.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -1161.372677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.372677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.372677 (E_RNA) where: Base-Base interactions energy: -788.127 where: short stacking energy: -326.772 Base-Backbone interact. energy: -0.807 local terms energy: -372.439468 where: bonds (distance) C4'-P energy: -68.491 bonds (distance) P-C4' energy: -81.926 flat angles C4'-P-C4' energy: -75.897 flat angles P-C4'-P energy: -58.071 tors. eta vs tors. theta energy: -88.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -893.828486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.828486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.828486 (E_RNA) where: Base-Base interactions energy: -576.810 where: short stacking energy: -264.107 Base-Backbone interact. energy: 1.584 local terms energy: -318.602932 where: bonds (distance) C4'-P energy: -60.851 bonds (distance) P-C4' energy: -55.657 flat angles C4'-P-C4' energy: -80.918 flat angles P-C4'-P energy: -56.002 tors. eta vs tors. theta energy: -65.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -777.313127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.313127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.313127 (E_RNA) where: Base-Base interactions energy: -497.381 where: short stacking energy: -223.489 Base-Backbone interact. energy: 2.380 local terms energy: -282.312154 where: bonds (distance) C4'-P energy: -62.549 bonds (distance) P-C4' energy: -61.304 flat angles C4'-P-C4' energy: -67.696 flat angles P-C4'-P energy: -42.719 tors. eta vs tors. theta energy: -48.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -649.135211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.135211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.135211 (E_RNA) where: Base-Base interactions energy: -389.329 where: short stacking energy: -166.318 Base-Backbone interact. energy: -1.574 local terms energy: -258.232318 where: bonds (distance) C4'-P energy: -66.245 bonds (distance) P-C4' energy: -69.171 flat angles C4'-P-C4' energy: -65.036 flat angles P-C4'-P energy: -38.528 tors. eta vs tors. theta energy: -19.252 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: 4 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -458.288220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.288220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.288220 (E_RNA) where: Base-Base interactions energy: -224.677 where: short stacking energy: -129.598 Base-Backbone interact. energy: -0.525 local terms energy: -233.086923 where: bonds (distance) C4'-P energy: -63.417 bonds (distance) P-C4' energy: -78.227 flat angles C4'-P-C4' energy: -43.777 flat angles P-C4'-P energy: -47.850 tors. eta vs tors. theta energy: 0.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -322.583436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.583436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.583436 (E_RNA) where: Base-Base interactions energy: -121.005 where: short stacking energy: -107.819 Base-Backbone interact. energy: -0.919 local terms energy: -200.659220 where: bonds (distance) C4'-P energy: -59.461 bonds (distance) P-C4' energy: -68.142 flat angles C4'-P-C4' energy: -43.959 flat angles P-C4'-P energy: -39.950 tors. eta vs tors. theta energy: 10.852 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: 1, replica: 3 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -1381.692392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.692392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.692392 (E_RNA) where: Base-Base interactions energy: -953.368 where: short stacking energy: -388.136 Base-Backbone interact. energy: -0.404 local terms energy: -427.920777 where: bonds (distance) C4'-P energy: -73.759 bonds (distance) P-C4' energy: -90.678 flat angles C4'-P-C4' energy: -93.613 flat angles P-C4'-P energy: -59.053 tors. eta vs tors. theta energy: -110.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -1323.558033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.558033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.558033 (E_RNA) where: Base-Base interactions energy: -886.802 where: short stacking energy: -398.133 Base-Backbone interact. energy: -0.097 local terms energy: -436.658799 where: bonds (distance) C4'-P energy: -73.489 bonds (distance) P-C4' energy: -84.924 flat angles C4'-P-C4' energy: -93.496 flat angles P-C4'-P energy: -66.498 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: 3, replica: 1 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -1292.285370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.285370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.285370 (E_RNA) where: Base-Base interactions energy: -883.715 where: short stacking energy: -367.748 Base-Backbone interact. energy: -2.862 local terms energy: -405.707941 where: bonds (distance) C4'-P energy: -71.206 bonds (distance) P-C4' energy: -86.003 flat angles C4'-P-C4' energy: -90.654 flat angles P-C4'-P energy: -44.025 tors. eta vs tors. theta energy: -113.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -1169.570479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.570479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.570479 (E_RNA) where: Base-Base interactions energy: -809.145 where: short stacking energy: -337.749 Base-Backbone interact. energy: -1.177 local terms energy: -359.249008 where: bonds (distance) C4'-P energy: -72.731 bonds (distance) P-C4' energy: -68.890 flat angles C4'-P-C4' energy: -67.644 flat angles P-C4'-P energy: -50.731 tors. eta vs tors. theta energy: -99.254 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: 9 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -1180.739902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.739902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.739902 (E_RNA) where: Base-Base interactions energy: -804.464 where: short stacking energy: -321.535 Base-Backbone interact. energy: -0.465 local terms energy: -375.811481 where: bonds (distance) C4'-P energy: -75.641 bonds (distance) P-C4' energy: -71.510 flat angles C4'-P-C4' energy: -84.203 flat angles P-C4'-P energy: -55.408 tors. eta vs tors. theta energy: -89.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -901.163585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.163585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.163585 (E_RNA) where: Base-Base interactions energy: -569.595 where: short stacking energy: -256.392 Base-Backbone interact. energy: -2.123 local terms energy: -329.445449 where: bonds (distance) C4'-P energy: -65.915 bonds (distance) P-C4' energy: -67.076 flat angles C4'-P-C4' energy: -73.698 flat angles P-C4'-P energy: -41.327 tors. eta vs tors. theta energy: -81.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -868.626406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.626406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.626406 (E_RNA) where: Base-Base interactions energy: -542.534 where: short stacking energy: -260.734 Base-Backbone interact. energy: -0.433 local terms energy: -325.659747 where: bonds (distance) C4'-P energy: -52.513 bonds (distance) P-C4' energy: -84.451 flat angles C4'-P-C4' energy: -71.657 flat angles P-C4'-P energy: -54.685 tors. eta vs tors. theta energy: -62.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -614.323649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.323649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.323649 (E_RNA) where: Base-Base interactions energy: -360.457 where: short stacking energy: -191.513 Base-Backbone interact. energy: -0.314 local terms energy: -253.551978 where: bonds (distance) C4'-P energy: -57.419 bonds (distance) P-C4' energy: -68.915 flat angles C4'-P-C4' energy: -68.134 flat angles P-C4'-P energy: -37.053 tors. eta vs tors. theta energy: -22.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -460.844964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.844964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.844964 (E_RNA) where: Base-Base interactions energy: -210.169 where: short stacking energy: -135.014 Base-Backbone interact. energy: -1.634 local terms energy: -249.042361 where: bonds (distance) C4'-P energy: -65.674 bonds (distance) P-C4' energy: -86.048 flat angles C4'-P-C4' energy: -57.890 flat angles P-C4'-P energy: -44.536 tors. eta vs tors. theta energy: 5.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -335.410172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.410172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.410172 (E_RNA) where: Base-Base interactions energy: -152.325 where: short stacking energy: -106.766 Base-Backbone interact. energy: 0.599 local terms energy: -183.684240 where: bonds (distance) C4'-P energy: -64.908 bonds (distance) P-C4' energy: -75.656 flat angles C4'-P-C4' energy: -50.096 flat angles P-C4'-P energy: -13.397 tors. eta vs tors. theta energy: 20.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -1353.392695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.392695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.392695 (E_RNA) where: Base-Base interactions energy: -933.140 where: short stacking energy: -385.566 Base-Backbone interact. energy: -3.983 local terms energy: -416.269160 where: bonds (distance) C4'-P energy: -86.520 bonds (distance) P-C4' energy: -77.019 flat angles C4'-P-C4' energy: -82.502 flat angles P-C4'-P energy: -62.673 tors. eta vs tors. theta energy: -107.555 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: 5 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -1327.744114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.744114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.744114 (E_RNA) where: Base-Base interactions energy: -878.689 where: short stacking energy: -383.669 Base-Backbone interact. energy: 0.170 local terms energy: -449.225040 where: bonds (distance) C4'-P energy: -82.921 bonds (distance) P-C4' energy: -88.038 flat angles C4'-P-C4' energy: -89.154 flat angles P-C4'-P energy: -71.518 tors. eta vs tors. theta energy: -117.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -1307.686987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.686987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.686987 (E_RNA) where: Base-Base interactions energy: -897.921 where: short stacking energy: -381.461 Base-Backbone interact. energy: -2.217 local terms energy: -407.548842 where: bonds (distance) C4'-P energy: -77.113 bonds (distance) P-C4' energy: -69.195 flat angles C4'-P-C4' energy: -86.467 flat angles P-C4'-P energy: -63.654 tors. eta vs tors. theta energy: -111.120 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: 8 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -1157.114102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.114102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.114102 (E_RNA) where: Base-Base interactions energy: -763.394 where: short stacking energy: -307.688 Base-Backbone interact. energy: -1.061 local terms energy: -392.659268 where: bonds (distance) C4'-P energy: -70.085 bonds (distance) P-C4' energy: -86.570 flat angles C4'-P-C4' energy: -88.307 flat angles P-C4'-P energy: -50.251 tors. eta vs tors. theta energy: -97.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -1182.989730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.989730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.989730 (E_RNA) where: Base-Base interactions energy: -790.482 where: short stacking energy: -350.131 Base-Backbone interact. energy: 2.488 local terms energy: -394.995327 where: bonds (distance) C4'-P energy: -76.685 bonds (distance) P-C4' energy: -73.149 flat angles C4'-P-C4' energy: -84.750 flat angles P-C4'-P energy: -49.400 tors. eta vs tors. theta energy: -111.012 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: 241 Temperature: 1.150000 Total energy: -882.222341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.222341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.222341 (E_RNA) where: Base-Base interactions energy: -559.376 where: short stacking energy: -264.793 Base-Backbone interact. energy: -3.144 local terms energy: -319.702905 where: bonds (distance) C4'-P energy: -64.676 bonds (distance) P-C4' energy: -63.780 flat angles C4'-P-C4' energy: -66.346 flat angles P-C4'-P energy: -46.086 tors. eta vs tors. theta energy: -78.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -814.262810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.262810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.262810 (E_RNA) where: Base-Base interactions energy: -514.814 where: short stacking energy: -230.645 Base-Backbone interact. energy: -1.198 local terms energy: -298.250571 where: bonds (distance) C4'-P energy: -54.537 bonds (distance) P-C4' energy: -68.170 flat angles C4'-P-C4' energy: -63.192 flat angles P-C4'-P energy: -42.221 tors. eta vs tors. theta energy: -70.130 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: 8, replica: 2 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -685.286022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.286022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.286022 (E_RNA) where: Base-Base interactions energy: -386.011 where: short stacking energy: -178.674 Base-Backbone interact. energy: 0.979 local terms energy: -300.254014 where: bonds (distance) C4'-P energy: -69.525 bonds (distance) P-C4' energy: -83.510 flat angles C4'-P-C4' energy: -78.929 flat angles P-C4'-P energy: -42.292 tors. eta vs tors. theta energy: -25.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -460.853300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.853300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.853300 (E_RNA) where: Base-Base interactions energy: -216.298 where: short stacking energy: -147.832 Base-Backbone interact. energy: -0.019 local terms energy: -244.536020 where: bonds (distance) C4'-P energy: -48.595 bonds (distance) P-C4' energy: -64.933 flat angles C4'-P-C4' energy: -65.468 flat angles P-C4'-P energy: -39.192 tors. eta vs tors. theta energy: -26.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -307.270523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.270523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.270523 (E_RNA) where: Base-Base interactions energy: -104.968 where: short stacking energy: -95.934 Base-Backbone interact. energy: -2.266 local terms energy: -200.036927 where: bonds (distance) C4'-P energy: -67.527 bonds (distance) P-C4' energy: -63.874 flat angles C4'-P-C4' energy: -45.218 flat angles P-C4'-P energy: -19.429 tors. eta vs tors. theta energy: -3.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -1390.892053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.892053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.892053 (E_RNA) where: Base-Base interactions energy: -963.117 where: short stacking energy: -387.923 Base-Backbone interact. energy: -2.690 local terms energy: -425.084482 where: bonds (distance) C4'-P energy: -79.239 bonds (distance) P-C4' energy: -77.200 flat angles C4'-P-C4' energy: -86.174 flat angles P-C4'-P energy: -66.602 tors. eta vs tors. theta energy: -115.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -1312.631946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.631946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.631946 (E_RNA) where: Base-Base interactions energy: -873.636 where: short stacking energy: -402.441 Base-Backbone interact. energy: -1.329 local terms energy: -437.666587 where: bonds (distance) C4'-P energy: -87.372 bonds (distance) P-C4' energy: -88.064 flat angles C4'-P-C4' energy: -90.273 flat angles P-C4'-P energy: -54.891 tors. eta vs tors. theta energy: -117.066 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: 3, replica: 1 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -1301.610075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.610075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.610075 (E_RNA) where: Base-Base interactions energy: -887.318 where: short stacking energy: -377.353 Base-Backbone interact. energy: 0.561 local terms energy: -414.853306 where: bonds (distance) C4'-P energy: -71.664 bonds (distance) P-C4' energy: -88.330 flat angles C4'-P-C4' energy: -89.314 flat angles P-C4'-P energy: -50.317 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: 8 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -1168.519429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.519429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.519429 (E_RNA) where: Base-Base interactions energy: -795.027 where: short stacking energy: -351.180 Base-Backbone interact. energy: -0.368 local terms energy: -373.124664 where: bonds (distance) C4'-P energy: -77.588 bonds (distance) P-C4' energy: -70.085 flat angles C4'-P-C4' energy: -77.102 flat angles P-C4'-P energy: -54.298 tors. eta vs tors. theta energy: -94.052 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: 9 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -1163.839053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.839053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.839053 (E_RNA) where: Base-Base interactions energy: -768.937 where: short stacking energy: -312.458 Base-Backbone interact. energy: -2.669 local terms energy: -392.232774 where: bonds (distance) C4'-P energy: -74.653 bonds (distance) P-C4' energy: -80.185 flat angles C4'-P-C4' energy: -88.657 flat angles P-C4'-P energy: -55.758 tors. eta vs tors. theta energy: -92.980 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: 7 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -887.137206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.137206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.137206 (E_RNA) where: Base-Base interactions energy: -551.497 where: short stacking energy: -240.365 Base-Backbone interact. energy: 4.188 local terms energy: -339.828774 where: bonds (distance) C4'-P energy: -73.972 bonds (distance) P-C4' energy: -82.390 flat angles C4'-P-C4' energy: -74.796 flat angles P-C4'-P energy: -51.213 tors. eta vs tors. theta energy: -57.457 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: 242 Temperature: 1.200000 Total energy: -857.632131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.632131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.632131 (E_RNA) where: Base-Base interactions energy: -554.071 where: short stacking energy: -250.134 Base-Backbone interact. energy: 1.320 local terms energy: -304.881472 where: bonds (distance) C4'-P energy: -55.681 bonds (distance) P-C4' energy: -69.764 flat angles C4'-P-C4' energy: -72.481 flat angles P-C4'-P energy: -51.296 tors. eta vs tors. theta energy: -55.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -651.619599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.619599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.619599 (E_RNA) where: Base-Base interactions energy: -372.998 where: short stacking energy: -186.149 Base-Backbone interact. energy: -0.743 local terms energy: -277.878599 where: bonds (distance) C4'-P energy: -66.534 bonds (distance) P-C4' energy: -64.170 flat angles C4'-P-C4' energy: -70.731 flat angles P-C4'-P energy: -42.608 tors. eta vs tors. theta energy: -33.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -457.015430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.015430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.015430 (E_RNA) where: Base-Base interactions energy: -197.784 where: short stacking energy: -136.234 Base-Backbone interact. energy: -1.245 local terms energy: -257.986132 where: bonds (distance) C4'-P energy: -69.904 bonds (distance) P-C4' energy: -63.863 flat angles C4'-P-C4' energy: -75.669 flat angles P-C4'-P energy: -23.933 tors. eta vs tors. theta energy: -24.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -316.389369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.389369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.389369 (E_RNA) where: Base-Base interactions energy: -83.006 where: short stacking energy: -66.139 Base-Backbone interact. energy: -2.341 local terms energy: -231.042316 where: bonds (distance) C4'-P energy: -70.657 bonds (distance) P-C4' energy: -84.257 flat angles C4'-P-C4' energy: -61.245 flat angles P-C4'-P energy: -37.845 tors. eta vs tors. theta energy: 22.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -1369.052450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.052450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.052450 (E_RNA) where: Base-Base interactions energy: -957.217 where: short stacking energy: -401.575 Base-Backbone interact. energy: -3.159 local terms energy: -408.676107 where: bonds (distance) C4'-P energy: -79.995 bonds (distance) P-C4' energy: -90.177 flat angles C4'-P-C4' energy: -75.858 flat angles P-C4'-P energy: -51.090 tors. eta vs tors. theta energy: -111.557 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: 2, replica: 5 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -1308.784843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.784843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.784843 (E_RNA) where: Base-Base interactions energy: -899.247 where: short stacking energy: -393.226 Base-Backbone interact. energy: -1.018 local terms energy: -408.520254 where: bonds (distance) C4'-P energy: -73.011 bonds (distance) P-C4' energy: -81.665 flat angles C4'-P-C4' energy: -84.409 flat angles P-C4'-P energy: -45.743 tors. eta vs tors. theta energy: -123.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -1281.479551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.479551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.479551 (E_RNA) where: Base-Base interactions energy: -877.570 where: short stacking energy: -378.173 Base-Backbone interact. energy: -2.063 local terms energy: -401.846297 where: bonds (distance) C4'-P energy: -73.894 bonds (distance) P-C4' energy: -75.002 flat angles C4'-P-C4' energy: -85.573 flat angles P-C4'-P energy: -46.980 tors. eta vs tors. theta energy: -120.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -1215.178873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.178873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.178873 (E_RNA) where: Base-Base interactions energy: -818.272 where: short stacking energy: -343.258 Base-Backbone interact. energy: -2.089 local terms energy: -394.818058 where: bonds (distance) C4'-P energy: -73.426 bonds (distance) P-C4' energy: -75.300 flat angles C4'-P-C4' energy: -92.800 flat angles P-C4'-P energy: -54.504 tors. eta vs tors. theta energy: -98.788 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: 8 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -1141.168374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.168374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.168374 (E_RNA) where: Base-Base interactions energy: -754.835 where: short stacking energy: -323.530 Base-Backbone interact. energy: -0.388 local terms energy: -385.944935 where: bonds (distance) C4'-P energy: -73.351 bonds (distance) P-C4' energy: -65.455 flat angles C4'-P-C4' energy: -91.478 flat angles P-C4'-P energy: -62.557 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: 6, replica: 7 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -874.088672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.088672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.088672 (E_RNA) where: Base-Base interactions energy: -566.168 where: short stacking energy: -249.404 Base-Backbone interact. energy: -2.691 local terms energy: -305.229813 where: bonds (distance) C4'-P energy: -44.701 bonds (distance) P-C4' energy: -73.908 flat angles C4'-P-C4' energy: -81.237 flat angles P-C4'-P energy: -50.764 tors. eta vs tors. theta energy: -54.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -857.733760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.733760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.733760 (E_RNA) where: Base-Base interactions energy: -540.370 where: short stacking energy: -258.278 Base-Backbone interact. energy: -1.030 local terms energy: -316.333529 where: bonds (distance) C4'-P energy: -63.378 bonds (distance) P-C4' energy: -69.770 flat angles C4'-P-C4' energy: -72.225 flat angles P-C4'-P energy: -50.386 tors. eta vs tors. theta energy: -60.574 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: 2 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -637.932359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.932359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.932359 (E_RNA) where: Base-Base interactions energy: -359.649 where: short stacking energy: -179.335 Base-Backbone interact. energy: -0.824 local terms energy: -277.459913 where: bonds (distance) C4'-P energy: -62.943 bonds (distance) P-C4' energy: -62.553 flat angles C4'-P-C4' energy: -69.807 flat angles P-C4'-P energy: -42.604 tors. eta vs tors. theta energy: -39.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -540.126146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.126146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.126146 (E_RNA) where: Base-Base interactions energy: -275.374 where: short stacking energy: -161.029 Base-Backbone interact. energy: -0.259 local terms energy: -264.493653 where: bonds (distance) C4'-P energy: -68.584 bonds (distance) P-C4' energy: -65.379 flat angles C4'-P-C4' energy: -63.700 flat angles P-C4'-P energy: -42.043 tors. eta vs tors. theta energy: -24.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -323.141494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.141494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.141494 (E_RNA) where: Base-Base interactions energy: -132.215 where: short stacking energy: -96.465 Base-Backbone interact. energy: 2.359 local terms energy: -193.285615 where: bonds (distance) C4'-P energy: -69.007 bonds (distance) P-C4' energy: -62.431 flat angles C4'-P-C4' energy: -45.818 flat angles P-C4'-P energy: -35.386 tors. eta vs tors. theta energy: 19.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -1382.855286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.855286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.855286 (E_RNA) where: Base-Base interactions energy: -950.835 where: short stacking energy: -411.673 Base-Backbone interact. energy: -2.493 local terms energy: -429.527215 where: bonds (distance) C4'-P energy: -77.222 bonds (distance) P-C4' energy: -83.114 flat angles C4'-P-C4' energy: -89.250 flat angles P-C4'-P energy: -60.556 tors. eta vs tors. theta energy: -119.385 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: 5 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -1310.045120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.045120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.045120 (E_RNA) where: Base-Base interactions energy: -883.462 where: short stacking energy: -394.323 Base-Backbone interact. energy: -2.493 local terms energy: -424.089435 where: bonds (distance) C4'-P energy: -78.253 bonds (distance) P-C4' energy: -77.011 flat angles C4'-P-C4' energy: -94.425 flat angles P-C4'-P energy: -53.319 tors. eta vs tors. theta energy: -121.081 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: 3, replica: 1 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -1284.566722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.566722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.566722 (E_RNA) where: Base-Base interactions energy: -879.377 where: short stacking energy: -376.239 Base-Backbone interact. energy: 2.959 local terms energy: -408.149357 where: bonds (distance) C4'-P energy: -76.215 bonds (distance) P-C4' energy: -81.031 flat angles C4'-P-C4' energy: -90.577 flat angles P-C4'-P energy: -46.609 tors. eta vs tors. theta energy: -113.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -1181.519223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.519223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.519223 (E_RNA) where: Base-Base interactions energy: -798.449 where: short stacking energy: -348.805 Base-Backbone interact. energy: -1.350 local terms energy: -381.720188 where: bonds (distance) C4'-P energy: -75.564 bonds (distance) P-C4' energy: -74.971 flat angles C4'-P-C4' energy: -92.214 flat angles P-C4'-P energy: -52.717 tors. eta vs tors. theta energy: -86.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -1151.141960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.141960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.141960 (E_RNA) where: Base-Base interactions energy: -788.278 where: short stacking energy: -331.269 Base-Backbone interact. energy: -0.614 local terms energy: -362.249343 where: bonds (distance) C4'-P energy: -73.918 bonds (distance) P-C4' energy: -79.611 flat angles C4'-P-C4' energy: -79.581 flat angles P-C4'-P energy: -43.121 tors. eta vs tors. theta energy: -86.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -896.600356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.600356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.600356 (E_RNA) where: Base-Base interactions energy: -586.909 where: short stacking energy: -281.179 Base-Backbone interact. energy: 0.541 local terms energy: -310.232136 where: bonds (distance) C4'-P energy: -63.522 bonds (distance) P-C4' energy: -51.617 flat angles C4'-P-C4' energy: -72.124 flat angles P-C4'-P energy: -47.478 tors. eta vs tors. theta energy: -75.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -835.609018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.609018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.609018 (E_RNA) where: Base-Base interactions energy: -539.511 where: short stacking energy: -236.667 Base-Backbone interact. energy: 2.060 local terms energy: -298.157743 where: bonds (distance) C4'-P energy: -61.679 bonds (distance) P-C4' energy: -66.428 flat angles C4'-P-C4' energy: -75.321 flat angles P-C4'-P energy: -36.714 tors. eta vs tors. theta energy: -58.016 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: 2 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -661.574792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.574792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.574792 (E_RNA) where: Base-Base interactions energy: -358.719 where: short stacking energy: -182.675 Base-Backbone interact. energy: -1.794 local terms energy: -301.061784 where: bonds (distance) C4'-P energy: -64.773 bonds (distance) P-C4' energy: -73.691 flat angles C4'-P-C4' energy: -82.756 flat angles P-C4'-P energy: -45.083 tors. eta vs tors. theta energy: -34.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -511.690412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.690412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.690412 (E_RNA) where: Base-Base interactions energy: -285.957 where: short stacking energy: -152.247 Base-Backbone interact. energy: 2.219 local terms energy: -227.952167 where: bonds (distance) C4'-P energy: -63.976 bonds (distance) P-C4' energy: -46.666 flat angles C4'-P-C4' energy: -64.038 flat angles P-C4'-P energy: -33.924 tors. eta vs tors. theta energy: -19.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -347.507012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.507012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.507012 (E_RNA) where: Base-Base interactions energy: -92.304 where: short stacking energy: -89.998 Base-Backbone interact. energy: 0.919 local terms energy: -256.122094 where: bonds (distance) C4'-P energy: -82.973 bonds (distance) P-C4' energy: -76.384 flat angles C4'-P-C4' energy: -61.821 flat angles P-C4'-P energy: -39.235 tors. eta vs tors. theta energy: 4.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -1394.739568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.739568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.739568 (E_RNA) where: Base-Base interactions energy: -963.039 where: short stacking energy: -409.354 Base-Backbone interact. energy: -1.259 local terms energy: -430.441711 where: bonds (distance) C4'-P energy: -78.477 bonds (distance) P-C4' energy: -85.237 flat angles C4'-P-C4' energy: -89.972 flat angles P-C4'-P energy: -56.255 tors. eta vs tors. theta energy: -120.501 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: 5 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -1321.471283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.471283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.471283 (E_RNA) where: Base-Base interactions energy: -889.696 where: short stacking energy: -409.298 Base-Backbone interact. energy: -1.115 local terms energy: -430.660779 where: bonds (distance) C4'-P energy: -79.387 bonds (distance) P-C4' energy: -81.444 flat angles C4'-P-C4' energy: -81.631 flat angles P-C4'-P energy: -66.802 tors. eta vs tors. theta energy: -121.396 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: 1 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -1285.302660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.302660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.302660 (E_RNA) where: Base-Base interactions energy: -868.862 where: short stacking energy: -360.138 Base-Backbone interact. energy: -3.088 local terms energy: -413.352847 where: bonds (distance) C4'-P energy: -84.039 bonds (distance) P-C4' energy: -80.913 flat angles C4'-P-C4' energy: -79.435 flat angles P-C4'-P energy: -64.311 tors. eta vs tors. theta energy: -104.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -1203.566574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.566574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.566574 (E_RNA) where: Base-Base interactions energy: -827.535 where: short stacking energy: -349.877 Base-Backbone interact. energy: -0.288 local terms energy: -375.743326 where: bonds (distance) C4'-P energy: -60.684 bonds (distance) P-C4' energy: -69.785 flat angles C4'-P-C4' energy: -88.301 flat angles P-C4'-P energy: -58.964 tors. eta vs tors. theta energy: -98.009 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: 5, replica: 8 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -1139.875538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.875538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.875538 (E_RNA) where: Base-Base interactions energy: -749.130 where: short stacking energy: -336.566 Base-Backbone interact. energy: -1.044 local terms energy: -389.701588 where: bonds (distance) C4'-P energy: -85.096 bonds (distance) P-C4' energy: -69.998 flat angles C4'-P-C4' energy: -81.783 flat angles P-C4'-P energy: -59.294 tors. eta vs tors. theta energy: -93.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -897.906045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.906045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.906045 (E_RNA) where: Base-Base interactions energy: -581.494 where: short stacking energy: -259.355 Base-Backbone interact. energy: -1.604 local terms energy: -314.808118 where: bonds (distance) C4'-P energy: -62.755 bonds (distance) P-C4' energy: -70.992 flat angles C4'-P-C4' energy: -80.349 flat angles P-C4'-P energy: -31.083 tors. eta vs tors. theta energy: -69.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -885.960100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.960100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.960100 (E_RNA) where: Base-Base interactions energy: -549.686 where: short stacking energy: -251.178 Base-Backbone interact. energy: 0.702 local terms energy: -336.976775 where: bonds (distance) C4'-P energy: -61.041 bonds (distance) P-C4' energy: -75.509 flat angles C4'-P-C4' energy: -76.305 flat angles P-C4'-P energy: -60.512 tors. eta vs tors. theta energy: -63.609 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: 2 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -659.192118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.192118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.192118 (E_RNA) where: Base-Base interactions energy: -382.299 where: short stacking energy: -197.138 Base-Backbone interact. energy: 1.226 local terms energy: -278.118686 where: bonds (distance) C4'-P energy: -74.840 bonds (distance) P-C4' energy: -55.649 flat angles C4'-P-C4' energy: -72.963 flat angles P-C4'-P energy: -41.915 tors. eta vs tors. theta energy: -32.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -540.428804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.428804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.428804 (E_RNA) where: Base-Base interactions energy: -282.221 where: short stacking energy: -162.035 Base-Backbone interact. energy: 3.182 local terms energy: -261.390108 where: bonds (distance) C4'-P energy: -62.070 bonds (distance) P-C4' energy: -68.609 flat angles C4'-P-C4' energy: -60.869 flat angles P-C4'-P energy: -37.008 tors. eta vs tors. theta energy: -32.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -368.049135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.049135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.049135 (E_RNA) where: Base-Base interactions energy: -149.705 where: short stacking energy: -89.083 Base-Backbone interact. energy: 1.362 local terms energy: -219.706310 where: bonds (distance) C4'-P energy: -64.115 bonds (distance) P-C4' energy: -67.330 flat angles C4'-P-C4' energy: -58.707 flat angles P-C4'-P energy: -42.011 tors. eta vs tors. theta energy: 12.458 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: 3 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -1360.394390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.394390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.394390 (E_RNA) where: Base-Base interactions energy: -936.596 where: short stacking energy: -416.364 Base-Backbone interact. energy: 0.173 local terms energy: -423.971679 where: bonds (distance) C4'-P energy: -82.416 bonds (distance) P-C4' energy: -73.250 flat angles C4'-P-C4' energy: -87.229 flat angles P-C4'-P energy: -62.744 tors. eta vs tors. theta energy: -118.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -1330.184030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.184030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.184030 (E_RNA) where: Base-Base interactions energy: -880.978 where: short stacking energy: -377.820 Base-Backbone interact. energy: -0.097 local terms energy: -449.108270 where: bonds (distance) C4'-P energy: -75.677 bonds (distance) P-C4' energy: -91.262 flat angles C4'-P-C4' energy: -90.533 flat angles P-C4'-P energy: -59.831 tors. eta vs tors. theta energy: -131.805 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: 1 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -1283.308177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.308177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.308177 (E_RNA) where: Base-Base interactions energy: -874.059 where: short stacking energy: -380.976 Base-Backbone interact. energy: -2.659 local terms energy: -406.590804 where: bonds (distance) C4'-P energy: -69.739 bonds (distance) P-C4' energy: -83.779 flat angles C4'-P-C4' energy: -87.575 flat angles P-C4'-P energy: -56.905 tors. eta vs tors. theta energy: -108.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -1204.747115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.747115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.747115 (E_RNA) where: Base-Base interactions energy: -804.873 where: short stacking energy: -333.852 Base-Backbone interact. energy: -1.816 local terms energy: -398.058091 where: bonds (distance) C4'-P energy: -77.436 bonds (distance) P-C4' energy: -74.808 flat angles C4'-P-C4' energy: -81.429 flat angles P-C4'-P energy: -57.835 tors. eta vs tors. theta energy: -106.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -1137.230987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.230987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.230987 (E_RNA) where: Base-Base interactions energy: -751.275 where: short stacking energy: -345.089 Base-Backbone interact. energy: -0.971 local terms energy: -384.985038 where: bonds (distance) C4'-P energy: -74.505 bonds (distance) P-C4' energy: -67.275 flat angles C4'-P-C4' energy: -88.243 flat angles P-C4'-P energy: -62.895 tors. eta vs tors. theta energy: -92.068 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: 246 Temperature: 1.150000 Total energy: -885.957939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.957939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.957939 (E_RNA) where: Base-Base interactions energy: -587.991 where: short stacking energy: -253.347 Base-Backbone interact. energy: -0.336 local terms energy: -297.630102 where: bonds (distance) C4'-P energy: -62.902 bonds (distance) P-C4' energy: -71.800 flat angles C4'-P-C4' energy: -65.696 flat angles P-C4'-P energy: -43.363 tors. eta vs tors. theta energy: -53.869 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: 246 Temperature: 1.200000 Total energy: -890.251341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.251341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.251341 (E_RNA) where: Base-Base interactions energy: -559.090 where: short stacking energy: -258.439 Base-Backbone interact. energy: 1.293 local terms energy: -332.455292 where: bonds (distance) C4'-P energy: -76.078 bonds (distance) P-C4' energy: -75.759 flat angles C4'-P-C4' energy: -72.273 flat angles P-C4'-P energy: -51.856 tors. eta vs tors. theta energy: -56.490 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: 2 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -633.052578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.052578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.052578 (E_RNA) where: Base-Base interactions energy: -367.171 where: short stacking energy: -176.029 Base-Backbone interact. energy: 4.490 local terms energy: -270.371518 where: bonds (distance) C4'-P energy: -61.716 bonds (distance) P-C4' energy: -64.026 flat angles C4'-P-C4' energy: -72.679 flat angles P-C4'-P energy: -44.769 tors. eta vs tors. theta energy: -27.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -516.944560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.944560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.944560 (E_RNA) where: Base-Base interactions energy: -280.502 where: short stacking energy: -145.646 Base-Backbone interact. energy: 1.650 local terms energy: -238.092533 where: bonds (distance) C4'-P energy: -72.594 bonds (distance) P-C4' energy: -72.624 flat angles C4'-P-C4' energy: -61.064 flat angles P-C4'-P energy: -26.648 tors. eta vs tors. theta energy: -5.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -434.712896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.712896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.712896 (E_RNA) where: Base-Base interactions energy: -216.581 where: short stacking energy: -160.753 Base-Backbone interact. energy: 0.946 local terms energy: -219.078305 where: bonds (distance) C4'-P energy: -59.282 bonds (distance) P-C4' energy: -66.562 flat angles C4'-P-C4' energy: -58.575 flat angles P-C4'-P energy: -18.359 tors. eta vs tors. theta energy: -16.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -1348.996650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.996650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.996650 (E_RNA) where: Base-Base interactions energy: -923.116 where: short stacking energy: -379.863 Base-Backbone interact. energy: -3.429 local terms energy: -422.452520 where: bonds (distance) C4'-P energy: -76.145 bonds (distance) P-C4' energy: -78.118 flat angles C4'-P-C4' energy: -90.752 flat angles P-C4'-P energy: -62.343 tors. eta vs tors. theta energy: -115.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -1337.386746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.386746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.386746 (E_RNA) where: Base-Base interactions energy: -907.926 where: short stacking energy: -393.076 Base-Backbone interact. energy: -0.069 local terms energy: -429.392062 where: bonds (distance) C4'-P energy: -71.841 bonds (distance) P-C4' energy: -90.399 flat angles C4'-P-C4' energy: -83.480 flat angles P-C4'-P energy: -61.865 tors. eta vs tors. theta energy: -121.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -1244.512889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.512889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.512889 (E_RNA) where: Base-Base interactions energy: -866.825 where: short stacking energy: -365.776 Base-Backbone interact. energy: -1.029 local terms energy: -376.658299 where: bonds (distance) C4'-P energy: -68.043 bonds (distance) P-C4' energy: -72.144 flat angles C4'-P-C4' energy: -78.061 flat angles P-C4'-P energy: -56.497 tors. eta vs tors. theta energy: -101.913 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: 9 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -1223.928282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.928282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.928282 (E_RNA) where: Base-Base interactions energy: -846.840 where: short stacking energy: -352.043 Base-Backbone interact. energy: -1.320 local terms energy: -375.768065 where: bonds (distance) C4'-P energy: -66.313 bonds (distance) P-C4' energy: -64.644 flat angles C4'-P-C4' energy: -88.334 flat angles P-C4'-P energy: -49.747 tors. eta vs tors. theta energy: -106.731 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: 8 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -1123.573525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.573525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.573525 (E_RNA) where: Base-Base interactions energy: -757.629 where: short stacking energy: -325.648 Base-Backbone interact. energy: -0.906 local terms energy: -365.038559 where: bonds (distance) C4'-P energy: -74.932 bonds (distance) P-C4' energy: -71.548 flat angles C4'-P-C4' energy: -87.812 flat angles P-C4'-P energy: -46.924 tors. eta vs tors. theta energy: -83.823 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: 7 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -929.345749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.345749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.345749 (E_RNA) where: Base-Base interactions energy: -628.796 where: short stacking energy: -277.355 Base-Backbone interact. energy: -1.458 local terms energy: -299.091747 where: bonds (distance) C4'-P energy: -72.794 bonds (distance) P-C4' energy: -62.258 flat angles C4'-P-C4' energy: -68.748 flat angles P-C4'-P energy: -29.200 tors. eta vs tors. theta energy: -66.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -852.492156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.492156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.492156 (E_RNA) where: Base-Base interactions energy: -525.758 where: short stacking energy: -240.732 Base-Backbone interact. energy: 1.867 local terms energy: -328.600318 where: bonds (distance) C4'-P energy: -71.829 bonds (distance) P-C4' energy: -75.900 flat angles C4'-P-C4' energy: -80.173 flat angles P-C4'-P energy: -37.898 tors. eta vs tors. theta energy: -62.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -701.719091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.719091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.719091 (E_RNA) where: Base-Base interactions energy: -429.083 where: short stacking energy: -199.678 Base-Backbone interact. energy: 2.548 local terms energy: -275.183797 where: bonds (distance) C4'-P energy: -70.216 bonds (distance) P-C4' energy: -66.015 flat angles C4'-P-C4' energy: -61.099 flat angles P-C4'-P energy: -43.042 tors. eta vs tors. theta energy: -34.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -566.487246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.487246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.487246 (E_RNA) where: Base-Base interactions energy: -283.516 where: short stacking energy: -164.422 Base-Backbone interact. energy: -0.932 local terms energy: -282.038866 where: bonds (distance) C4'-P energy: -66.874 bonds (distance) P-C4' energy: -83.105 flat angles C4'-P-C4' energy: -59.508 flat angles P-C4'-P energy: -43.599 tors. eta vs tors. theta energy: -28.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -385.419345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.419345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.419345 (E_RNA) where: Base-Base interactions energy: -173.484 where: short stacking energy: -98.801 Base-Backbone interact. energy: 0.465 local terms energy: -212.401076 where: bonds (distance) C4'-P energy: -49.395 bonds (distance) P-C4' energy: -64.324 flat angles C4'-P-C4' energy: -69.252 flat angles P-C4'-P energy: -35.821 tors. eta vs tors. theta energy: 6.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -1364.363379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.363379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.363379 (E_RNA) where: Base-Base interactions energy: -949.741 where: short stacking energy: -394.585 Base-Backbone interact. energy: -3.421 local terms energy: -411.201865 where: bonds (distance) C4'-P energy: -78.564 bonds (distance) P-C4' energy: -78.476 flat angles C4'-P-C4' energy: -84.405 flat angles P-C4'-P energy: -52.586 tors. eta vs tors. theta energy: -117.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -1317.938776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.938776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.938776 (E_RNA) where: Base-Base interactions energy: -879.427 where: short stacking energy: -395.648 Base-Backbone interact. energy: -0.699 local terms energy: -437.812613 where: bonds (distance) C4'-P energy: -85.279 bonds (distance) P-C4' energy: -78.095 flat angles C4'-P-C4' energy: -95.884 flat angles P-C4'-P energy: -58.278 tors. eta vs tors. theta energy: -120.276 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: 1 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -1279.192304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.192304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.192304 (E_RNA) where: Base-Base interactions energy: -871.613 where: short stacking energy: -375.005 Base-Backbone interact. energy: -2.320 local terms energy: -405.259647 where: bonds (distance) C4'-P energy: -66.443 bonds (distance) P-C4' energy: -86.304 flat angles C4'-P-C4' energy: -90.217 flat angles P-C4'-P energy: -58.742 tors. eta vs tors. theta energy: -103.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -1218.573036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.573036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.573036 (E_RNA) where: Base-Base interactions energy: -832.633 where: short stacking energy: -350.879 Base-Backbone interact. energy: 0.554 local terms energy: -386.494230 where: bonds (distance) C4'-P energy: -67.977 bonds (distance) P-C4' energy: -70.589 flat angles C4'-P-C4' energy: -85.732 flat angles P-C4'-P energy: -58.493 tors. eta vs tors. theta energy: -103.702 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: 8 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -1118.957607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.957607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.957607 (E_RNA) where: Base-Base interactions energy: -736.727 where: short stacking energy: -307.507 Base-Backbone interact. energy: -0.439 local terms energy: -381.791667 where: bonds (distance) C4'-P energy: -77.941 bonds (distance) P-C4' energy: -67.379 flat angles C4'-P-C4' energy: -93.307 flat angles P-C4'-P energy: -53.698 tors. eta vs tors. theta energy: -89.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -907.217398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.217398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.217398 (E_RNA) where: Base-Base interactions energy: -568.731 where: short stacking energy: -246.456 Base-Backbone interact. energy: -1.917 local terms energy: -336.569675 where: bonds (distance) C4'-P energy: -80.328 bonds (distance) P-C4' energy: -66.381 flat angles C4'-P-C4' energy: -80.255 flat angles P-C4'-P energy: -50.722 tors. eta vs tors. theta energy: -58.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -875.895575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.895575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.895575 (E_RNA) where: Base-Base interactions energy: -559.574 where: short stacking energy: -252.968 Base-Backbone interact. energy: -1.793 local terms energy: -314.528635 where: bonds (distance) C4'-P energy: -63.907 bonds (distance) P-C4' energy: -83.044 flat angles C4'-P-C4' energy: -70.751 flat angles P-C4'-P energy: -44.797 tors. eta vs tors. theta energy: -52.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -690.280345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.280345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.280345 (E_RNA) where: Base-Base interactions energy: -413.229 where: short stacking energy: -184.713 Base-Backbone interact. energy: 0.369 local terms energy: -277.421209 where: bonds (distance) C4'-P energy: -67.098 bonds (distance) P-C4' energy: -81.195 flat angles C4'-P-C4' energy: -59.293 flat angles P-C4'-P energy: -36.874 tors. eta vs tors. theta energy: -32.961 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: 4 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -455.115353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.115353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.115353 (E_RNA) where: Base-Base interactions energy: -210.580 where: short stacking energy: -145.339 Base-Backbone interact. energy: -1.010 local terms energy: -243.525436 where: bonds (distance) C4'-P energy: -60.218 bonds (distance) P-C4' energy: -72.047 flat angles C4'-P-C4' energy: -66.609 flat angles P-C4'-P energy: -40.733 tors. eta vs tors. theta energy: -3.918 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: 10, replica: 10 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -393.195184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.195184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.195184 (E_RNA) where: Base-Base interactions energy: -176.820 where: short stacking energy: -103.788 Base-Backbone interact. energy: -2.330 local terms energy: -214.045954 where: bonds (distance) C4'-P energy: -65.530 bonds (distance) P-C4' energy: -62.174 flat angles C4'-P-C4' energy: -55.511 flat angles P-C4'-P energy: -34.703 tors. eta vs tors. theta energy: 3.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -1381.935596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.935596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.935596 (E_RNA) where: Base-Base interactions energy: -953.773 where: short stacking energy: -410.344 Base-Backbone interact. energy: 1.934 local terms energy: -430.096101 where: bonds (distance) C4'-P energy: -85.489 bonds (distance) P-C4' energy: -74.628 flat angles C4'-P-C4' energy: -92.786 flat angles P-C4'-P energy: -59.583 tors. eta vs tors. theta energy: -117.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -1321.293226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.293226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.293226 (E_RNA) where: Base-Base interactions energy: -879.121 where: short stacking energy: -401.348 Base-Backbone interact. energy: -0.886 local terms energy: -441.286709 where: bonds (distance) C4'-P energy: -79.391 bonds (distance) P-C4' energy: -88.608 flat angles C4'-P-C4' energy: -93.303 flat angles P-C4'-P energy: -58.705 tors. eta vs tors. theta energy: -121.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -1236.145766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.145766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.145766 (E_RNA) where: Base-Base interactions energy: -823.261 where: short stacking energy: -344.082 Base-Backbone interact. energy: -1.851 local terms energy: -411.032912 where: bonds (distance) C4'-P energy: -75.979 bonds (distance) P-C4' energy: -84.644 flat angles C4'-P-C4' energy: -88.170 flat angles P-C4'-P energy: -61.043 tors. eta vs tors. theta energy: -101.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -1211.280322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.280322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.280322 (E_RNA) where: Base-Base interactions energy: -810.047 where: short stacking energy: -355.565 Base-Backbone interact. energy: -2.126 local terms energy: -399.108007 where: bonds (distance) C4'-P energy: -77.340 bonds (distance) P-C4' energy: -83.933 flat angles C4'-P-C4' energy: -77.625 flat angles P-C4'-P energy: -58.531 tors. eta vs tors. theta energy: -101.679 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: 8 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -1130.227623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.227623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.227623 (E_RNA) where: Base-Base interactions energy: -744.845 where: short stacking energy: -323.949 Base-Backbone interact. energy: 1.450 local terms energy: -386.832726 where: bonds (distance) C4'-P energy: -74.416 bonds (distance) P-C4' energy: -79.241 flat angles C4'-P-C4' energy: -86.777 flat angles P-C4'-P energy: -55.176 tors. eta vs tors. theta energy: -91.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -888.343779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.343779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.343779 (E_RNA) where: Base-Base interactions energy: -560.183 where: short stacking energy: -242.663 Base-Backbone interact. energy: -0.515 local terms energy: -327.646010 where: bonds (distance) C4'-P energy: -54.244 bonds (distance) P-C4' energy: -76.926 flat angles C4'-P-C4' energy: -84.112 flat angles P-C4'-P energy: -53.892 tors. eta vs tors. theta energy: -58.472 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: 7, replica: 6 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -867.095903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.095903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.095903 (E_RNA) where: Base-Base interactions energy: -555.402 where: short stacking energy: -246.574 Base-Backbone interact. energy: 1.941 local terms energy: -313.635629 where: bonds (distance) C4'-P energy: -61.782 bonds (distance) P-C4' energy: -59.861 flat angles C4'-P-C4' energy: -79.722 flat angles P-C4'-P energy: -52.755 tors. eta vs tors. theta energy: -59.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -708.668104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.668104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.668104 (E_RNA) where: Base-Base interactions energy: -423.521 where: short stacking energy: -196.417 Base-Backbone interact. energy: 1.720 local terms energy: -286.866919 where: bonds (distance) C4'-P energy: -72.173 bonds (distance) P-C4' energy: -66.907 flat angles C4'-P-C4' energy: -66.408 flat angles P-C4'-P energy: -42.545 tors. eta vs tors. theta energy: -38.834 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: 9, replica: 4 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -450.296873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.296873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.296873 (E_RNA) where: Base-Base interactions energy: -212.629 where: short stacking energy: -115.104 Base-Backbone interact. energy: -0.162 local terms energy: -237.505562 where: bonds (distance) C4'-P energy: -69.279 bonds (distance) P-C4' energy: -63.589 flat angles C4'-P-C4' energy: -53.065 flat angles P-C4'-P energy: -50.382 tors. eta vs tors. theta energy: -1.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -411.372611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.372611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.372611 (E_RNA) where: Base-Base interactions energy: -162.740 where: short stacking energy: -115.361 Base-Backbone interact. energy: -0.748 local terms energy: -247.884784 where: bonds (distance) C4'-P energy: -67.645 bonds (distance) P-C4' energy: -75.549 flat angles C4'-P-C4' energy: -67.426 flat angles P-C4'-P energy: -29.081 tors. eta vs tors. theta energy: -8.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -1376.881014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.881014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.881014 (E_RNA) where: Base-Base interactions energy: -934.821 where: short stacking energy: -401.853 Base-Backbone interact. energy: -2.378 local terms energy: -439.682664 where: bonds (distance) C4'-P energy: -84.536 bonds (distance) P-C4' energy: -86.723 flat angles C4'-P-C4' energy: -93.497 flat angles P-C4'-P energy: -62.145 tors. eta vs tors. theta energy: -112.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -1330.305687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.305687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.305687 (E_RNA) where: Base-Base interactions energy: -891.690 where: short stacking energy: -409.302 Base-Backbone interact. energy: -0.864 local terms energy: -437.751651 where: bonds (distance) C4'-P energy: -89.387 bonds (distance) P-C4' energy: -70.524 flat angles C4'-P-C4' energy: -87.529 flat angles P-C4'-P energy: -56.881 tors. eta vs tors. theta energy: -133.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -1241.761903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.761903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.761903 (E_RNA) where: Base-Base interactions energy: -834.367 where: short stacking energy: -361.132 Base-Backbone interact. energy: -4.135 local terms energy: -403.260843 where: bonds (distance) C4'-P energy: -91.272 bonds (distance) P-C4' energy: -72.797 flat angles C4'-P-C4' energy: -85.650 flat angles P-C4'-P energy: -48.609 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: 4, replica: 9 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -1233.027537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.027537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.027537 (E_RNA) where: Base-Base interactions energy: -844.841 where: short stacking energy: -331.082 Base-Backbone interact. energy: -0.147 local terms energy: -388.038911 where: bonds (distance) C4'-P energy: -73.831 bonds (distance) P-C4' energy: -76.053 flat angles C4'-P-C4' energy: -81.411 flat angles P-C4'-P energy: -47.272 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: 8 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -1107.197307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.197307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.197307 (E_RNA) where: Base-Base interactions energy: -720.851 where: short stacking energy: -306.337 Base-Backbone interact. energy: -0.457 local terms energy: -385.889269 where: bonds (distance) C4'-P energy: -73.544 bonds (distance) P-C4' energy: -81.504 flat angles C4'-P-C4' energy: -86.190 flat angles P-C4'-P energy: -48.729 tors. eta vs tors. theta energy: -95.923 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: 250 Temperature: 1.150000 Total energy: -890.379239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.379239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.379239 (E_RNA) where: Base-Base interactions energy: -562.332 where: short stacking energy: -234.482 Base-Backbone interact. energy: 0.749 local terms energy: -328.795960 where: bonds (distance) C4'-P energy: -86.906 bonds (distance) P-C4' energy: -78.967 flat angles C4'-P-C4' energy: -66.183 flat angles P-C4'-P energy: -54.346 tors. eta vs tors. theta energy: -42.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -900.389652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.389652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.389652 (E_RNA) where: Base-Base interactions energy: -576.790 where: short stacking energy: -244.295 Base-Backbone interact. energy: 2.807 local terms energy: -326.407016 where: bonds (distance) C4'-P energy: -77.644 bonds (distance) P-C4' energy: -58.677 flat angles C4'-P-C4' energy: -77.297 flat angles P-C4'-P energy: -53.999 tors. eta vs tors. theta energy: -58.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -626.106750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.106750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.106750 (E_RNA) where: Base-Base interactions energy: -358.607 where: short stacking energy: -177.981 Base-Backbone interact. energy: -1.066 local terms energy: -266.433841 where: bonds (distance) C4'-P energy: -71.947 bonds (distance) P-C4' energy: -79.089 flat angles C4'-P-C4' energy: -50.267 flat angles P-C4'-P energy: -48.012 tors. eta vs tors. theta energy: -17.120 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: 10 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -432.119261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.119261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.119261 (E_RNA) where: Base-Base interactions energy: -187.509 where: short stacking energy: -123.912 Base-Backbone interact. energy: -1.066 local terms energy: -243.543341 where: bonds (distance) C4'-P energy: -64.487 bonds (distance) P-C4' energy: -71.843 flat angles C4'-P-C4' energy: -66.937 flat angles P-C4'-P energy: -34.118 tors. eta vs tors. theta energy: -6.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -437.883896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.883896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.883896 (E_RNA) where: Base-Base interactions energy: -211.221 where: short stacking energy: -129.785 Base-Backbone interact. energy: 2.235 local terms energy: -228.898179 where: bonds (distance) C4'-P energy: -63.396 bonds (distance) P-C4' energy: -72.349 flat angles C4'-P-C4' energy: -53.755 flat angles P-C4'-P energy: -34.553 tors. eta vs tors. theta energy: -4.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -1365.116333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.116333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.116333 (E_RNA) where: Base-Base interactions energy: -958.044 where: short stacking energy: -431.588 Base-Backbone interact. energy: 0.092 local terms energy: -407.164292 where: bonds (distance) C4'-P energy: -80.606 bonds (distance) P-C4' energy: -66.615 flat angles C4'-P-C4' energy: -88.857 flat angles P-C4'-P energy: -53.345 tors. eta vs tors. theta energy: -117.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -1323.979864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.979864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.979864 (E_RNA) where: Base-Base interactions energy: -889.667 where: short stacking energy: -412.248 Base-Backbone interact. energy: -1.412 local terms energy: -432.901415 where: bonds (distance) C4'-P energy: -79.181 bonds (distance) P-C4' energy: -70.388 flat angles C4'-P-C4' energy: -90.558 flat angles P-C4'-P energy: -62.316 tors. eta vs tors. theta energy: -130.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -1250.842798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.842798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.842798 (E_RNA) where: Base-Base interactions energy: -860.732 where: short stacking energy: -369.902 Base-Backbone interact. energy: -1.697 local terms energy: -388.414168 where: bonds (distance) C4'-P energy: -71.919 bonds (distance) P-C4' energy: -69.808 flat angles C4'-P-C4' energy: -75.601 flat angles P-C4'-P energy: -61.676 tors. eta vs tors. theta energy: -109.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -1154.066495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.066495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.066495 (E_RNA) where: Base-Base interactions energy: -765.144 where: short stacking energy: -366.951 Base-Backbone interact. energy: 1.889 local terms energy: -390.812243 where: bonds (distance) C4'-P energy: -72.258 bonds (distance) P-C4' energy: -63.952 flat angles C4'-P-C4' energy: -84.978 flat angles P-C4'-P energy: -58.434 tors. eta vs tors. theta energy: -111.190 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: 9 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -1186.227590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.227590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.227590 (E_RNA) where: Base-Base interactions energy: -803.092 where: short stacking energy: -329.510 Base-Backbone interact. energy: 1.072 local terms energy: -384.207587 where: bonds (distance) C4'-P energy: -74.020 bonds (distance) P-C4' energy: -85.475 flat angles C4'-P-C4' energy: -76.763 flat angles P-C4'-P energy: -61.215 tors. eta vs tors. theta energy: -86.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -903.374201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.374201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.374201 (E_RNA) where: Base-Base interactions energy: -568.679 where: short stacking energy: -276.538 Base-Backbone interact. energy: -1.635 local terms energy: -333.059835 where: bonds (distance) C4'-P energy: -66.965 bonds (distance) P-C4' energy: -76.554 flat angles C4'-P-C4' energy: -74.780 flat angles P-C4'-P energy: -41.406 tors. eta vs tors. theta energy: -73.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -873.306806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.306806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.306806 (E_RNA) where: Base-Base interactions energy: -549.235 where: short stacking energy: -252.539 Base-Backbone interact. energy: 2.955 local terms energy: -327.027475 where: bonds (distance) C4'-P energy: -70.263 bonds (distance) P-C4' energy: -83.158 flat angles C4'-P-C4' energy: -69.116 flat angles P-C4'-P energy: -38.196 tors. eta vs tors. theta energy: -66.295 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: 2 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -649.156591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.156591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.156591 (E_RNA) where: Base-Base interactions energy: -364.611 where: short stacking energy: -190.415 Base-Backbone interact. energy: 1.206 local terms energy: -285.752025 where: bonds (distance) C4'-P energy: -65.390 bonds (distance) P-C4' energy: -69.974 flat angles C4'-P-C4' energy: -65.591 flat angles P-C4'-P energy: -49.333 tors. eta vs tors. theta energy: -35.464 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: 9, replica: 10 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -426.272676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.272676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.272676 (E_RNA) where: Base-Base interactions energy: -185.318 where: short stacking energy: -123.846 Base-Backbone interact. energy: -4.563 local terms energy: -236.392081 where: bonds (distance) C4'-P energy: -67.363 bonds (distance) P-C4' energy: -61.396 flat angles C4'-P-C4' energy: -61.831 flat angles P-C4'-P energy: -37.646 tors. eta vs tors. theta energy: -8.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -439.941887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.941887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.941887 (E_RNA) where: Base-Base interactions energy: -217.774 where: short stacking energy: -123.450 Base-Backbone interact. energy: -1.223 local terms energy: -220.945299 where: bonds (distance) C4'-P energy: -70.157 bonds (distance) P-C4' energy: -68.715 flat angles C4'-P-C4' energy: -54.277 flat angles P-C4'-P energy: -25.518 tors. eta vs tors. theta energy: -2.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -1361.976718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.976718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.976718 (E_RNA) where: Base-Base interactions energy: -946.803 where: short stacking energy: -393.344 Base-Backbone interact. energy: -3.612 local terms energy: -411.561660 where: bonds (distance) C4'-P energy: -81.540 bonds (distance) P-C4' energy: -75.447 flat angles C4'-P-C4' energy: -79.251 flat angles P-C4'-P energy: -59.341 tors. eta vs tors. theta energy: -115.983 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: 5 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -1317.287186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.287186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.287186 (E_RNA) where: Base-Base interactions energy: -875.323 where: short stacking energy: -392.493 Base-Backbone interact. energy: -4.285 local terms energy: -437.679310 where: bonds (distance) C4'-P energy: -70.840 bonds (distance) P-C4' energy: -86.657 flat angles C4'-P-C4' energy: -90.259 flat angles P-C4'-P energy: -58.582 tors. eta vs tors. theta energy: -131.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -1240.567701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.567701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.567701 (E_RNA) where: Base-Base interactions energy: -841.933 where: short stacking energy: -381.120 Base-Backbone interact. energy: -1.429 local terms energy: -397.205807 where: bonds (distance) C4'-P energy: -77.315 bonds (distance) P-C4' energy: -73.622 flat angles C4'-P-C4' energy: -82.514 flat angles P-C4'-P energy: -52.236 tors. eta vs tors. theta energy: -111.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -1149.672570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.672570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.672570 (E_RNA) where: Base-Base interactions energy: -743.941 where: short stacking energy: -340.569 Base-Backbone interact. energy: -2.960 local terms energy: -402.771709 where: bonds (distance) C4'-P energy: -80.543 bonds (distance) P-C4' energy: -79.719 flat angles C4'-P-C4' energy: -88.197 flat angles P-C4'-P energy: -60.820 tors. eta vs tors. theta energy: -93.494 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: 5, replica: 9 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -1168.864085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.864085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.864085 (E_RNA) where: Base-Base interactions energy: -805.582 where: short stacking energy: -323.281 Base-Backbone interact. energy: -1.125 local terms energy: -362.157393 where: bonds (distance) C4'-P energy: -77.294 bonds (distance) P-C4' energy: -67.675 flat angles C4'-P-C4' energy: -76.461 flat angles P-C4'-P energy: -45.212 tors. eta vs tors. theta energy: -95.516 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: 252 Temperature: 1.150000 Total energy: -899.546895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.546895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.546895 (E_RNA) where: Base-Base interactions energy: -570.348 where: short stacking energy: -254.590 Base-Backbone interact. energy: 4.082 local terms energy: -333.280445 where: bonds (distance) C4'-P energy: -74.833 bonds (distance) P-C4' energy: -76.801 flat angles C4'-P-C4' energy: -78.348 flat angles P-C4'-P energy: -48.442 tors. eta vs tors. theta energy: -54.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -849.528721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.528721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.528721 (E_RNA) where: Base-Base interactions energy: -518.348 where: short stacking energy: -245.192 Base-Backbone interact. energy: -1.460 local terms energy: -329.721095 where: bonds (distance) C4'-P energy: -57.103 bonds (distance) P-C4' energy: -82.662 flat angles C4'-P-C4' energy: -79.084 flat angles P-C4'-P energy: -55.543 tors. eta vs tors. theta energy: -55.329 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: 2 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -692.837927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.837927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.837927 (E_RNA) where: Base-Base interactions energy: -410.801 where: short stacking energy: -205.078 Base-Backbone interact. energy: -1.327 local terms energy: -280.710373 where: bonds (distance) C4'-P energy: -62.334 bonds (distance) P-C4' energy: -68.305 flat angles C4'-P-C4' energy: -74.076 flat angles P-C4'-P energy: -44.112 tors. eta vs tors. theta energy: -31.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -410.324209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.324209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.324209 (E_RNA) where: Base-Base interactions energy: -179.229 where: short stacking energy: -130.530 Base-Backbone interact. energy: -0.293 local terms energy: -230.801522 where: bonds (distance) C4'-P energy: -72.267 bonds (distance) P-C4' energy: -63.821 flat angles C4'-P-C4' energy: -61.610 flat angles P-C4'-P energy: -31.101 tors. eta vs tors. theta energy: -2.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -427.908704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.908704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.908704 (E_RNA) where: Base-Base interactions energy: -211.843 where: short stacking energy: -113.440 Base-Backbone interact. energy: 5.228 local terms energy: -221.293533 where: bonds (distance) C4'-P energy: -55.339 bonds (distance) P-C4' energy: -74.218 flat angles C4'-P-C4' energy: -59.759 flat angles P-C4'-P energy: -31.449 tors. eta vs tors. theta energy: -0.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -1354.240606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.240606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.240606 (E_RNA) where: Base-Base interactions energy: -925.890 where: short stacking energy: -378.914 Base-Backbone interact. energy: 4.189 local terms energy: -432.539780 where: bonds (distance) C4'-P energy: -79.789 bonds (distance) P-C4' energy: -89.051 flat angles C4'-P-C4' energy: -92.355 flat angles P-C4'-P energy: -64.628 tors. eta vs tors. theta energy: -106.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -1339.076214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.076214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.076214 (E_RNA) where: Base-Base interactions energy: -893.444 where: short stacking energy: -386.068 Base-Backbone interact. energy: 0.886 local terms energy: -446.517412 where: bonds (distance) C4'-P energy: -79.359 bonds (distance) P-C4' energy: -84.799 flat angles C4'-P-C4' energy: -93.310 flat angles P-C4'-P energy: -62.032 tors. eta vs tors. theta energy: -127.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -1232.453293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.453293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.453293 (E_RNA) where: Base-Base interactions energy: -853.131 where: short stacking energy: -372.267 Base-Backbone interact. energy: -1.960 local terms energy: -377.362171 where: bonds (distance) C4'-P energy: -76.283 bonds (distance) P-C4' energy: -64.846 flat angles C4'-P-C4' energy: -84.385 flat angles P-C4'-P energy: -37.533 tors. eta vs tors. theta energy: -114.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -1229.357778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.357778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.357778 (E_RNA) where: Base-Base interactions energy: -838.552 where: short stacking energy: -360.693 Base-Backbone interact. energy: -1.974 local terms energy: -388.831824 where: bonds (distance) C4'-P energy: -78.777 bonds (distance) P-C4' energy: -81.973 flat angles C4'-P-C4' energy: -70.660 flat angles P-C4'-P energy: -52.941 tors. eta vs tors. theta energy: -104.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -1105.678356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.678356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.678356 (E_RNA) where: Base-Base interactions energy: -735.582 where: short stacking energy: -356.321 Base-Backbone interact. energy: 6.585 local terms energy: -376.681024 where: bonds (distance) C4'-P energy: -68.096 bonds (distance) P-C4' energy: -69.172 flat angles C4'-P-C4' energy: -84.553 flat angles P-C4'-P energy: -55.248 tors. eta vs tors. theta energy: -99.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -930.933527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.933527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.933527 (E_RNA) where: Base-Base interactions energy: -610.267 where: short stacking energy: -271.685 Base-Backbone interact. energy: 6.128 local terms energy: -326.793727 where: bonds (distance) C4'-P energy: -68.817 bonds (distance) P-C4' energy: -63.341 flat angles C4'-P-C4' energy: -78.867 flat angles P-C4'-P energy: -49.117 tors. eta vs tors. theta energy: -66.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -871.467770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.467770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.467770 (E_RNA) where: Base-Base interactions energy: -555.288 where: short stacking energy: -241.536 Base-Backbone interact. energy: 0.885 local terms energy: -317.065460 where: bonds (distance) C4'-P energy: -83.516 bonds (distance) P-C4' energy: -62.989 flat angles C4'-P-C4' energy: -66.209 flat angles P-C4'-P energy: -49.608 tors. eta vs tors. theta energy: -54.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -630.052574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.052574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.052574 (E_RNA) where: Base-Base interactions energy: -356.984 where: short stacking energy: -192.177 Base-Backbone interact. energy: -0.672 local terms energy: -272.396515 where: bonds (distance) C4'-P energy: -59.880 bonds (distance) P-C4' energy: -76.514 flat angles C4'-P-C4' energy: -67.015 flat angles P-C4'-P energy: -31.809 tors. eta vs tors. theta energy: -37.179 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: 10 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -427.797500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.797500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.797500 (E_RNA) where: Base-Base interactions energy: -171.660 where: short stacking energy: -111.835 Base-Backbone interact. energy: -0.390 local terms energy: -255.747940 where: bonds (distance) C4'-P energy: -68.552 bonds (distance) P-C4' energy: -87.725 flat angles C4'-P-C4' energy: -63.526 flat angles P-C4'-P energy: -40.058 tors. eta vs tors. theta energy: 4.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -364.930668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.930668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.930668 (E_RNA) where: Base-Base interactions energy: -157.879 where: short stacking energy: -95.423 Base-Backbone interact. energy: 1.890 local terms energy: -208.942228 where: bonds (distance) C4'-P energy: -58.493 bonds (distance) P-C4' energy: -71.611 flat angles C4'-P-C4' energy: -59.424 flat angles P-C4'-P energy: -31.369 tors. eta vs tors. theta energy: 11.956 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: 3 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -1370.726481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.726481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.726481 (E_RNA) where: Base-Base interactions energy: -955.563 where: short stacking energy: -402.597 Base-Backbone interact. energy: -3.558 local terms energy: -411.605906 where: bonds (distance) C4'-P energy: -76.908 bonds (distance) P-C4' energy: -79.649 flat angles C4'-P-C4' energy: -85.328 flat angles P-C4'-P energy: -57.174 tors. eta vs tors. theta energy: -112.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -1307.534603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.534603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.534603 (E_RNA) where: Base-Base interactions energy: -860.490 where: short stacking energy: -384.813 Base-Backbone interact. energy: 1.107 local terms energy: -448.151816 where: bonds (distance) C4'-P energy: -92.626 bonds (distance) P-C4' energy: -80.316 flat angles C4'-P-C4' energy: -90.020 flat angles P-C4'-P energy: -70.366 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: 1 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -1282.101703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.101703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.101703 (E_RNA) where: Base-Base interactions energy: -869.205 where: short stacking energy: -367.105 Base-Backbone interact. energy: 1.692 local terms energy: -414.588084 where: bonds (distance) C4'-P energy: -82.315 bonds (distance) P-C4' energy: -66.939 flat angles C4'-P-C4' energy: -95.023 flat angles P-C4'-P energy: -62.165 tors. eta vs tors. theta energy: -108.147 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: 9 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -1195.957017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.957017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.957017 (E_RNA) where: Base-Base interactions energy: -811.352 where: short stacking energy: -341.154 Base-Backbone interact. energy: -0.684 local terms energy: -383.921721 where: bonds (distance) C4'-P energy: -78.741 bonds (distance) P-C4' energy: -80.616 flat angles C4'-P-C4' energy: -76.691 flat angles P-C4'-P energy: -46.467 tors. eta vs tors. theta energy: -101.407 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: 8 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -1088.140444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.140444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.140444 (E_RNA) where: Base-Base interactions energy: -721.015 where: short stacking energy: -315.334 Base-Backbone interact. energy: -2.522 local terms energy: -364.603606 where: bonds (distance) C4'-P energy: -64.134 bonds (distance) P-C4' energy: -83.306 flat angles C4'-P-C4' energy: -88.900 flat angles P-C4'-P energy: -48.869 tors. eta vs tors. theta energy: -79.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -954.390361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.390361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.390361 (E_RNA) where: Base-Base interactions energy: -593.128 where: short stacking energy: -271.914 Base-Backbone interact. energy: 1.450 local terms energy: -362.712391 where: bonds (distance) C4'-P energy: -81.123 bonds (distance) P-C4' energy: -83.485 flat angles C4'-P-C4' energy: -74.138 flat angles P-C4'-P energy: -52.508 tors. eta vs tors. theta energy: -71.460 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: 7, replica: 7 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -825.059260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.059260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.059260 (E_RNA) where: Base-Base interactions energy: -510.247 where: short stacking energy: -212.030 Base-Backbone interact. energy: -1.057 local terms energy: -313.754731 where: bonds (distance) C4'-P energy: -65.993 bonds (distance) P-C4' energy: -68.541 flat angles C4'-P-C4' energy: -67.585 flat angles P-C4'-P energy: -59.261 tors. eta vs tors. theta energy: -52.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -648.197557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.197557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.197557 (E_RNA) where: Base-Base interactions energy: -373.977 where: short stacking energy: -197.132 Base-Backbone interact. energy: -0.905 local terms energy: -273.315576 where: bonds (distance) C4'-P energy: -56.358 bonds (distance) P-C4' energy: -70.417 flat angles C4'-P-C4' energy: -73.005 flat angles P-C4'-P energy: -46.566 tors. eta vs tors. theta energy: -26.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -411.037431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.037431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.037431 (E_RNA) where: Base-Base interactions energy: -177.358 where: short stacking energy: -104.393 Base-Backbone interact. energy: -2.358 local terms energy: -231.320650 where: bonds (distance) C4'-P energy: -62.871 bonds (distance) P-C4' energy: -75.050 flat angles C4'-P-C4' energy: -58.789 flat angles P-C4'-P energy: -49.236 tors. eta vs tors. theta energy: 14.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -396.799725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.799725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.799725 (E_RNA) where: Base-Base interactions energy: -160.199 where: short stacking energy: -101.569 Base-Backbone interact. energy: -0.391 local terms energy: -236.210029 where: bonds (distance) C4'-P energy: -66.344 bonds (distance) P-C4' energy: -73.387 flat angles C4'-P-C4' energy: -56.081 flat angles P-C4'-P energy: -42.130 tors. eta vs tors. theta energy: 1.732 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: 1, replica: 3 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -1353.079213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.079213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.079213 (E_RNA) where: Base-Base interactions energy: -925.402 where: short stacking energy: -386.049 Base-Backbone interact. energy: 0.209 local terms energy: -427.885872 where: bonds (distance) C4'-P energy: -72.175 bonds (distance) P-C4' energy: -87.852 flat angles C4'-P-C4' energy: -87.750 flat angles P-C4'-P energy: -71.043 tors. eta vs tors. theta energy: -109.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -1305.419227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.419227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.419227 (E_RNA) where: Base-Base interactions energy: -899.311 where: short stacking energy: -381.398 Base-Backbone interact. energy: -0.958 local terms energy: -405.150337 where: bonds (distance) C4'-P energy: -74.454 bonds (distance) P-C4' energy: -82.560 flat angles C4'-P-C4' energy: -89.101 flat angles P-C4'-P energy: -57.943 tors. eta vs tors. theta energy: -101.092 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: 5 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -1271.114512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.114512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.114512 (E_RNA) where: Base-Base interactions energy: -848.614 where: short stacking energy: -371.607 Base-Backbone interact. energy: -1.713 local terms energy: -420.787719 where: bonds (distance) C4'-P energy: -76.004 bonds (distance) P-C4' energy: -82.064 flat angles C4'-P-C4' energy: -90.302 flat angles P-C4'-P energy: -59.457 tors. eta vs tors. theta energy: -112.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -1198.090719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.090719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.090719 (E_RNA) where: Base-Base interactions energy: -813.533 where: short stacking energy: -325.932 Base-Backbone interact. energy: -1.034 local terms energy: -383.523758 where: bonds (distance) C4'-P energy: -69.498 bonds (distance) P-C4' energy: -88.864 flat angles C4'-P-C4' energy: -75.873 flat angles P-C4'-P energy: -55.559 tors. eta vs tors. theta energy: -93.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -1102.365781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.365781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.365781 (E_RNA) where: Base-Base interactions energy: -732.647 where: short stacking energy: -305.945 Base-Backbone interact. energy: -1.695 local terms energy: -368.023620 where: bonds (distance) C4'-P energy: -85.104 bonds (distance) P-C4' energy: -72.487 flat angles C4'-P-C4' energy: -78.032 flat angles P-C4'-P energy: -47.227 tors. eta vs tors. theta energy: -85.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -929.610629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.610629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.610629 (E_RNA) where: Base-Base interactions energy: -575.417 where: short stacking energy: -263.238 Base-Backbone interact. energy: -2.190 local terms energy: -352.003105 where: bonds (distance) C4'-P energy: -64.267 bonds (distance) P-C4' energy: -83.725 flat angles C4'-P-C4' energy: -79.372 flat angles P-C4'-P energy: -58.267 tors. eta vs tors. theta energy: -66.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -809.472891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.472891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.472891 (E_RNA) where: Base-Base interactions energy: -483.819 where: short stacking energy: -220.831 Base-Backbone interact. energy: -2.925 local terms energy: -322.729393 where: bonds (distance) C4'-P energy: -81.979 bonds (distance) P-C4' energy: -82.928 flat angles C4'-P-C4' energy: -74.406 flat angles P-C4'-P energy: -34.368 tors. eta vs tors. theta energy: -49.048 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: 2 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -647.172409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.172409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.172409 (E_RNA) where: Base-Base interactions energy: -370.014 where: short stacking energy: -183.638 Base-Backbone interact. energy: 1.180 local terms energy: -278.337824 where: bonds (distance) C4'-P energy: -75.563 bonds (distance) P-C4' energy: -63.737 flat angles C4'-P-C4' energy: -75.033 flat angles P-C4'-P energy: -43.364 tors. eta vs tors. theta energy: -20.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -450.916080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.916080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.916080 (E_RNA) where: Base-Base interactions energy: -199.727 where: short stacking energy: -122.166 Base-Backbone interact. energy: -0.770 local terms energy: -250.418540 where: bonds (distance) C4'-P energy: -67.418 bonds (distance) P-C4' energy: -65.360 flat angles C4'-P-C4' energy: -60.644 flat angles P-C4'-P energy: -42.269 tors. eta vs tors. theta energy: -14.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -375.823006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.823006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.823006 (E_RNA) where: Base-Base interactions energy: -175.636 where: short stacking energy: -111.363 Base-Backbone interact. energy: 0.555 local terms energy: -200.741701 where: bonds (distance) C4'-P energy: -61.605 bonds (distance) P-C4' energy: -75.792 flat angles C4'-P-C4' energy: -47.210 flat angles P-C4'-P energy: -27.547 tors. eta vs tors. theta energy: 11.411 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: 3 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -1364.485943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.485943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.485943 (E_RNA) where: Base-Base interactions energy: -944.941 where: short stacking energy: -385.820 Base-Backbone interact. energy: 3.604 local terms energy: -423.148900 where: bonds (distance) C4'-P energy: -77.180 bonds (distance) P-C4' energy: -85.584 flat angles C4'-P-C4' energy: -94.194 flat angles P-C4'-P energy: -57.226 tors. eta vs tors. theta energy: -108.964 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: 1 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -1322.358523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.358523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.358523 (E_RNA) where: Base-Base interactions energy: -916.469 where: short stacking energy: -396.699 Base-Backbone interact. energy: -1.614 local terms energy: -404.274627 where: bonds (distance) C4'-P energy: -73.827 bonds (distance) P-C4' energy: -77.027 flat angles C4'-P-C4' energy: -98.811 flat angles P-C4'-P energy: -47.820 tors. eta vs tors. theta energy: -106.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -1234.690274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.690274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.690274 (E_RNA) where: Base-Base interactions energy: -860.497 where: short stacking energy: -344.284 Base-Backbone interact. energy: -1.933 local terms energy: -372.260401 where: bonds (distance) C4'-P energy: -60.712 bonds (distance) P-C4' energy: -68.008 flat angles C4'-P-C4' energy: -90.476 flat angles P-C4'-P energy: -49.980 tors. eta vs tors. theta energy: -103.083 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: 5 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -1246.947945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.947945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.947945 (E_RNA) where: Base-Base interactions energy: -846.778 where: short stacking energy: -372.892 Base-Backbone interact. energy: -1.096 local terms energy: -399.074168 where: bonds (distance) C4'-P energy: -79.277 bonds (distance) P-C4' energy: -82.053 flat angles C4'-P-C4' energy: -79.235 flat angles P-C4'-P energy: -49.058 tors. eta vs tors. theta energy: -109.451 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: 5, replica: 8 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -1069.909349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.909349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.909349 (E_RNA) where: Base-Base interactions energy: -709.422 where: short stacking energy: -322.732 Base-Backbone interact. energy: -0.845 local terms energy: -359.641894 where: bonds (distance) C4'-P energy: -65.571 bonds (distance) P-C4' energy: -64.859 flat angles C4'-P-C4' energy: -82.532 flat angles P-C4'-P energy: -57.092 tors. eta vs tors. theta energy: -89.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -929.253552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.253552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.253552 (E_RNA) where: Base-Base interactions energy: -590.131 where: short stacking energy: -277.323 Base-Backbone interact. energy: -1.547 local terms energy: -337.576262 where: bonds (distance) C4'-P energy: -70.110 bonds (distance) P-C4' energy: -72.274 flat angles C4'-P-C4' energy: -83.199 flat angles P-C4'-P energy: -40.987 tors. eta vs tors. theta energy: -71.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -853.260232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.260232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.260232 (E_RNA) where: Base-Base interactions energy: -530.492 where: short stacking energy: -243.622 Base-Backbone interact. energy: -1.089 local terms energy: -321.679381 where: bonds (distance) C4'-P energy: -74.423 bonds (distance) P-C4' energy: -61.851 flat angles C4'-P-C4' energy: -69.123 flat angles P-C4'-P energy: -49.514 tors. eta vs tors. theta energy: -66.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -688.631000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.631000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.631000 (E_RNA) where: Base-Base interactions energy: -395.767 where: short stacking energy: -177.720 Base-Backbone interact. energy: 1.065 local terms energy: -293.929484 where: bonds (distance) C4'-P energy: -73.328 bonds (distance) P-C4' energy: -65.724 flat angles C4'-P-C4' energy: -77.243 flat angles P-C4'-P energy: -39.049 tors. eta vs tors. theta energy: -38.587 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: 9, replica: 4 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -429.702784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.702784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.702784 (E_RNA) where: Base-Base interactions energy: -198.326 where: short stacking energy: -121.566 Base-Backbone interact. energy: -0.838 local terms energy: -230.538512 where: bonds (distance) C4'-P energy: -51.878 bonds (distance) P-C4' energy: -72.676 flat angles C4'-P-C4' energy: -51.733 flat angles P-C4'-P energy: -43.921 tors. eta vs tors. theta energy: -10.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -335.865114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.865114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.865114 (E_RNA) where: Base-Base interactions energy: -123.981 where: short stacking energy: -92.114 Base-Backbone interact. energy: 1.325 local terms energy: -213.209273 where: bonds (distance) C4'-P energy: -70.324 bonds (distance) P-C4' energy: -71.054 flat angles C4'-P-C4' energy: -54.444 flat angles P-C4'-P energy: -25.524 tors. eta vs tors. theta energy: 8.135 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: 3 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -1370.266182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.266182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.266182 (E_RNA) where: Base-Base interactions energy: -943.039 where: short stacking energy: -394.635 Base-Backbone interact. energy: 0.197 local terms energy: -427.423496 where: bonds (distance) C4'-P energy: -78.040 bonds (distance) P-C4' energy: -84.473 flat angles C4'-P-C4' energy: -93.959 flat angles P-C4'-P energy: -61.216 tors. eta vs tors. theta energy: -109.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -1308.706546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.706546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.706546 (E_RNA) where: Base-Base interactions energy: -891.817 where: short stacking energy: -382.677 Base-Backbone interact. energy: 1.757 local terms energy: -418.645999 where: bonds (distance) C4'-P energy: -74.284 bonds (distance) P-C4' energy: -83.407 flat angles C4'-P-C4' energy: -89.808 flat angles P-C4'-P energy: -64.519 tors. eta vs tors. theta energy: -106.629 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: 9 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -1257.961966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.961966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.961966 (E_RNA) where: Base-Base interactions energy: -852.354 where: short stacking energy: -350.344 Base-Backbone interact. energy: -2.014 local terms energy: -403.593569 where: bonds (distance) C4'-P energy: -75.832 bonds (distance) P-C4' energy: -74.362 flat angles C4'-P-C4' energy: -79.765 flat angles P-C4'-P energy: -63.075 tors. eta vs tors. theta energy: -110.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -1225.842622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.842622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.842622 (E_RNA) where: Base-Base interactions energy: -841.150 where: short stacking energy: -346.351 Base-Backbone interact. energy: -2.357 local terms energy: -382.335864 where: bonds (distance) C4'-P energy: -70.498 bonds (distance) P-C4' energy: -77.927 flat angles C4'-P-C4' energy: -80.399 flat angles P-C4'-P energy: -54.728 tors. eta vs tors. theta energy: -98.784 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: 8 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -1069.509203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.509203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.509203 (E_RNA) where: Base-Base interactions energy: -718.955 where: short stacking energy: -311.090 Base-Backbone interact. energy: -0.109 local terms energy: -350.445684 where: bonds (distance) C4'-P energy: -62.114 bonds (distance) P-C4' energy: -64.794 flat angles C4'-P-C4' energy: -78.655 flat angles P-C4'-P energy: -45.247 tors. eta vs tors. theta energy: -99.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -984.621216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.621216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.621216 (E_RNA) where: Base-Base interactions energy: -621.608 where: short stacking energy: -301.666 Base-Backbone interact. energy: -0.239 local terms energy: -362.773594 where: bonds (distance) C4'-P energy: -75.744 bonds (distance) P-C4' energy: -74.465 flat angles C4'-P-C4' energy: -80.505 flat angles P-C4'-P energy: -52.042 tors. eta vs tors. theta energy: -80.018 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: 7, replica: 7 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -868.396273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.396273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.396273 (E_RNA) where: Base-Base interactions energy: -565.693 where: short stacking energy: -245.846 Base-Backbone interact. energy: -0.966 local terms energy: -301.736903 where: bonds (distance) C4'-P energy: -71.398 bonds (distance) P-C4' energy: -69.939 flat angles C4'-P-C4' energy: -81.387 flat angles P-C4'-P energy: -25.694 tors. eta vs tors. theta energy: -53.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -727.989427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.989427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.989427 (E_RNA) where: Base-Base interactions energy: -451.279 where: short stacking energy: -220.265 Base-Backbone interact. energy: -1.377 local terms energy: -275.333671 where: bonds (distance) C4'-P energy: -55.521 bonds (distance) P-C4' energy: -78.680 flat angles C4'-P-C4' energy: -54.664 flat angles P-C4'-P energy: -52.155 tors. eta vs tors. theta energy: -34.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -418.866013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.866013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.866013 (E_RNA) where: Base-Base interactions energy: -204.490 where: short stacking energy: -125.214 Base-Backbone interact. energy: 3.769 local terms energy: -218.145582 where: bonds (distance) C4'-P energy: -62.682 bonds (distance) P-C4' energy: -76.504 flat angles C4'-P-C4' energy: -52.555 flat angles P-C4'-P energy: -25.945 tors. eta vs tors. theta energy: -0.460 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: 10, replica: 10 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -328.323312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.323312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.323312 (E_RNA) where: Base-Base interactions energy: -115.667 where: short stacking energy: -102.044 Base-Backbone interact. energy: -1.911 local terms energy: -210.744684 where: bonds (distance) C4'-P energy: -71.729 bonds (distance) P-C4' energy: -63.265 flat angles C4'-P-C4' energy: -52.354 flat angles P-C4'-P energy: -31.349 tors. eta vs tors. theta energy: 7.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -1366.808466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.808466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.808466 (E_RNA) where: Base-Base interactions energy: -939.452 where: short stacking energy: -387.927 Base-Backbone interact. energy: -0.789 local terms energy: -426.567604 where: bonds (distance) C4'-P energy: -81.151 bonds (distance) P-C4' energy: -81.658 flat angles C4'-P-C4' energy: -88.415 flat angles P-C4'-P energy: -60.927 tors. eta vs tors. theta energy: -114.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -1302.627645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.627645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.627645 (E_RNA) where: Base-Base interactions energy: -887.333 where: short stacking energy: -381.077 Base-Backbone interact. energy: -1.721 local terms energy: -413.573510 where: bonds (distance) C4'-P energy: -70.237 bonds (distance) P-C4' energy: -84.412 flat angles C4'-P-C4' energy: -95.046 flat angles P-C4'-P energy: -61.384 tors. eta vs tors. theta energy: -102.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -1242.388918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.388918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.388918 (E_RNA) where: Base-Base interactions energy: -844.710 where: short stacking energy: -352.937 Base-Backbone interact. energy: -2.940 local terms energy: -394.739423 where: bonds (distance) C4'-P energy: -83.031 bonds (distance) P-C4' energy: -77.477 flat angles C4'-P-C4' energy: -75.298 flat angles P-C4'-P energy: -58.695 tors. eta vs tors. theta energy: -100.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -1228.491545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.491545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.491545 (E_RNA) where: Base-Base interactions energy: -847.378 where: short stacking energy: -344.805 Base-Backbone interact. energy: -1.456 local terms energy: -379.657065 where: bonds (distance) C4'-P energy: -78.528 bonds (distance) P-C4' energy: -70.620 flat angles C4'-P-C4' energy: -64.253 flat angles P-C4'-P energy: -50.319 tors. eta vs tors. theta energy: -115.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -1081.342838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.342838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.342838 (E_RNA) where: Base-Base interactions energy: -732.895 where: short stacking energy: -321.294 Base-Backbone interact. energy: 2.023 local terms energy: -350.470384 where: bonds (distance) C4'-P energy: -80.209 bonds (distance) P-C4' energy: -52.534 flat angles C4'-P-C4' energy: -68.172 flat angles P-C4'-P energy: -62.264 tors. eta vs tors. theta energy: -87.291 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: 6 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -942.206484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.206484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.206484 (E_RNA) where: Base-Base interactions energy: -600.658 where: short stacking energy: -272.556 Base-Backbone interact. energy: -0.508 local terms energy: -341.040780 where: bonds (distance) C4'-P energy: -77.985 bonds (distance) P-C4' energy: -59.682 flat angles C4'-P-C4' energy: -76.641 flat angles P-C4'-P energy: -56.312 tors. eta vs tors. theta energy: -70.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -931.086042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.086042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.086042 (E_RNA) where: Base-Base interactions energy: -618.772 where: short stacking energy: -282.828 Base-Backbone interact. energy: -1.495 local terms energy: -310.819106 where: bonds (distance) C4'-P energy: -69.093 bonds (distance) P-C4' energy: -60.481 flat angles C4'-P-C4' energy: -72.578 flat angles P-C4'-P energy: -35.654 tors. eta vs tors. theta energy: -73.013 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: 2 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -675.094192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.094192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.094192 (E_RNA) where: Base-Base interactions energy: -394.862 where: short stacking energy: -189.476 Base-Backbone interact. energy: -0.776 local terms energy: -279.455878 where: bonds (distance) C4'-P energy: -59.677 bonds (distance) P-C4' energy: -73.465 flat angles C4'-P-C4' energy: -59.407 flat angles P-C4'-P energy: -46.063 tors. eta vs tors. theta energy: -40.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -421.374261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.374261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.374261 (E_RNA) where: Base-Base interactions energy: -173.429 where: short stacking energy: -112.826 Base-Backbone interact. energy: -1.006 local terms energy: -246.940123 where: bonds (distance) C4'-P energy: -68.231 bonds (distance) P-C4' energy: -77.696 flat angles C4'-P-C4' energy: -49.845 flat angles P-C4'-P energy: -46.739 tors. eta vs tors. theta energy: -4.429 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: 10 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -355.463606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.463606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.463606 (E_RNA) where: Base-Base interactions energy: -145.387 where: short stacking energy: -109.900 Base-Backbone interact. energy: -0.841 local terms energy: -209.235240 where: bonds (distance) C4'-P energy: -63.055 bonds (distance) P-C4' energy: -57.387 flat angles C4'-P-C4' energy: -44.966 flat angles P-C4'-P energy: -44.734 tors. eta vs tors. theta energy: 0.907 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: 3 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -1366.327935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.327935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.327935 (E_RNA) where: Base-Base interactions energy: -949.411 where: short stacking energy: -392.610 Base-Backbone interact. energy: -2.456 local terms energy: -414.460895 where: bonds (distance) C4'-P energy: -81.204 bonds (distance) P-C4' energy: -73.444 flat angles C4'-P-C4' energy: -90.480 flat angles P-C4'-P energy: -54.173 tors. eta vs tors. theta energy: -115.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -1317.442510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.442510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.442510 (E_RNA) where: Base-Base interactions energy: -913.163 where: short stacking energy: -383.565 Base-Backbone interact. energy: -4.748 local terms energy: -399.531117 where: bonds (distance) C4'-P energy: -68.710 bonds (distance) P-C4' energy: -75.489 flat angles C4'-P-C4' energy: -85.889 flat angles P-C4'-P energy: -63.060 tors. eta vs tors. theta energy: -106.383 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: 5 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -1261.705829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.705829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.705829 (E_RNA) where: Base-Base interactions energy: -848.410 where: short stacking energy: -382.357 Base-Backbone interact. energy: -3.151 local terms energy: -410.145283 where: bonds (distance) C4'-P energy: -64.083 bonds (distance) P-C4' energy: -81.503 flat angles C4'-P-C4' energy: -87.825 flat angles P-C4'-P energy: -61.205 tors. eta vs tors. theta energy: -115.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -1261.212084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.212084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.212084 (E_RNA) where: Base-Base interactions energy: -850.224 where: short stacking energy: -354.007 Base-Backbone interact. energy: -0.947 local terms energy: -410.041493 where: bonds (distance) C4'-P energy: -69.534 bonds (distance) P-C4' energy: -88.858 flat angles C4'-P-C4' energy: -86.663 flat angles P-C4'-P energy: -51.267 tors. eta vs tors. theta energy: -113.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -1099.681055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.681055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.681055 (E_RNA) where: Base-Base interactions energy: -744.748 where: short stacking energy: -328.781 Base-Backbone interact. energy: -2.082 local terms energy: -352.851273 where: bonds (distance) C4'-P energy: -81.650 bonds (distance) P-C4' energy: -59.838 flat angles C4'-P-C4' energy: -84.176 flat angles P-C4'-P energy: -43.705 tors. eta vs tors. theta energy: -83.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -968.402978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.402978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.402978 (E_RNA) where: Base-Base interactions energy: -640.275 where: short stacking energy: -260.231 Base-Backbone interact. energy: 2.320 local terms energy: -330.448418 where: bonds (distance) C4'-P energy: -66.322 bonds (distance) P-C4' energy: -78.812 flat angles C4'-P-C4' energy: -73.768 flat angles P-C4'-P energy: -46.858 tors. eta vs tors. theta energy: -64.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -900.968002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.968002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.968002 (E_RNA) where: Base-Base interactions energy: -576.032 where: short stacking energy: -259.621 Base-Backbone interact. energy: 0.406 local terms energy: -325.342399 where: bonds (distance) C4'-P energy: -70.067 bonds (distance) P-C4' energy: -76.984 flat angles C4'-P-C4' energy: -73.668 flat angles P-C4'-P energy: -37.757 tors. eta vs tors. theta energy: -66.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -672.228940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.228940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.228940 (E_RNA) where: Base-Base interactions energy: -377.597 where: short stacking energy: -211.122 Base-Backbone interact. energy: 0.313 local terms energy: -294.944352 where: bonds (distance) C4'-P energy: -71.875 bonds (distance) P-C4' energy: -81.777 flat angles C4'-P-C4' energy: -66.634 flat angles P-C4'-P energy: -37.467 tors. eta vs tors. theta energy: -37.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -418.424638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.424638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.424638 (E_RNA) where: Base-Base interactions energy: -184.995 where: short stacking energy: -139.402 Base-Backbone interact. energy: 2.327 local terms energy: -235.756685 where: bonds (distance) C4'-P energy: -66.653 bonds (distance) P-C4' energy: -74.795 flat angles C4'-P-C4' energy: -64.378 flat angles P-C4'-P energy: -24.944 tors. eta vs tors. theta energy: -4.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -337.539922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.539922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.539922 (E_RNA) where: Base-Base interactions energy: -140.265 where: short stacking energy: -98.879 Base-Backbone interact. energy: -1.342 local terms energy: -195.932010 where: bonds (distance) C4'-P energy: -69.505 bonds (distance) P-C4' energy: -65.230 flat angles C4'-P-C4' energy: -37.580 flat angles P-C4'-P energy: -37.033 tors. eta vs tors. theta energy: 13.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -1407.900398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.900398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.900398 (E_RNA) where: Base-Base interactions energy: -968.516 where: short stacking energy: -422.820 Base-Backbone interact. energy: -2.141 local terms energy: -437.242809 where: bonds (distance) C4'-P energy: -76.943 bonds (distance) P-C4' energy: -84.987 flat angles C4'-P-C4' energy: -94.682 flat angles P-C4'-P energy: -58.405 tors. eta vs tors. theta energy: -122.225 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: 1 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -1308.635537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.635537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.635537 (E_RNA) where: Base-Base interactions energy: -902.920 where: short stacking energy: -360.568 Base-Backbone interact. energy: -1.111 local terms energy: -404.604052 where: bonds (distance) C4'-P energy: -80.190 bonds (distance) P-C4' energy: -72.507 flat angles C4'-P-C4' energy: -95.233 flat angles P-C4'-P energy: -59.077 tors. eta vs tors. theta energy: -97.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -1240.175541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.175541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.175541 (E_RNA) where: Base-Base interactions energy: -841.023 where: short stacking energy: -359.836 Base-Backbone interact. energy: -0.865 local terms energy: -398.287200 where: bonds (distance) C4'-P energy: -77.133 bonds (distance) P-C4' energy: -74.632 flat angles C4'-P-C4' energy: -79.285 flat angles P-C4'-P energy: -63.942 tors. eta vs tors. theta energy: -103.296 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: 9 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -1276.253218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.253218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.253218 (E_RNA) where: Base-Base interactions energy: -866.395 where: short stacking energy: -356.122 Base-Backbone interact. energy: 1.582 local terms energy: -411.440542 where: bonds (distance) C4'-P energy: -80.250 bonds (distance) P-C4' energy: -71.339 flat angles C4'-P-C4' energy: -92.828 flat angles P-C4'-P energy: -64.230 tors. eta vs tors. theta energy: -102.794 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: 8 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -1089.984107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.984107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.984107 (E_RNA) where: Base-Base interactions energy: -712.289 where: short stacking energy: -329.422 Base-Backbone interact. energy: -1.130 local terms energy: -376.564558 where: bonds (distance) C4'-P energy: -72.368 bonds (distance) P-C4' energy: -74.521 flat angles C4'-P-C4' energy: -88.087 flat angles P-C4'-P energy: -50.588 tors. eta vs tors. theta energy: -91.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -993.282662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.282662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.282662 (E_RNA) where: Base-Base interactions energy: -657.032 where: short stacking energy: -288.406 Base-Backbone interact. energy: -1.337 local terms energy: -334.913488 where: bonds (distance) C4'-P energy: -64.797 bonds (distance) P-C4' energy: -71.957 flat angles C4'-P-C4' energy: -73.283 flat angles P-C4'-P energy: -52.325 tors. eta vs tors. theta energy: -72.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -847.527764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.527764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.527764 (E_RNA) where: Base-Base interactions energy: -544.892 where: short stacking energy: -254.279 Base-Backbone interact. energy: -1.928 local terms energy: -300.707408 where: bonds (distance) C4'-P energy: -58.526 bonds (distance) P-C4' energy: -59.135 flat angles C4'-P-C4' energy: -75.685 flat angles P-C4'-P energy: -49.382 tors. eta vs tors. theta energy: -57.980 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: 2 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -667.783707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.783707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.783707 (E_RNA) where: Base-Base interactions energy: -387.376 where: short stacking energy: -205.888 Base-Backbone interact. energy: 0.152 local terms energy: -280.559545 where: bonds (distance) C4'-P energy: -60.102 bonds (distance) P-C4' energy: -70.020 flat angles C4'-P-C4' energy: -75.755 flat angles P-C4'-P energy: -38.645 tors. eta vs tors. theta energy: -36.037 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: 4 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -438.084642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.084642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.084642 (E_RNA) where: Base-Base interactions energy: -193.123 where: short stacking energy: -124.192 Base-Backbone interact. energy: 0.487 local terms energy: -245.448235 where: bonds (distance) C4'-P energy: -65.144 bonds (distance) P-C4' energy: -67.080 flat angles C4'-P-C4' energy: -71.395 flat angles P-C4'-P energy: -33.222 tors. eta vs tors. theta energy: -8.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -337.141080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.141080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.141080 (E_RNA) where: Base-Base interactions energy: -123.716 where: short stacking energy: -89.819 Base-Backbone interact. energy: 1.880 local terms energy: -215.305172 where: bonds (distance) C4'-P energy: -62.086 bonds (distance) P-C4' energy: -80.683 flat angles C4'-P-C4' energy: -48.335 flat angles P-C4'-P energy: -33.337 tors. eta vs tors. theta energy: 9.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -1382.424003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.424003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.424003 (E_RNA) where: Base-Base interactions energy: -949.653 where: short stacking energy: -420.258 Base-Backbone interact. energy: 2.465 local terms energy: -435.236208 where: bonds (distance) C4'-P energy: -86.171 bonds (distance) P-C4' energy: -89.416 flat angles C4'-P-C4' energy: -88.703 flat angles P-C4'-P energy: -44.960 tors. eta vs tors. theta energy: -125.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -1294.300314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.300314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.300314 (E_RNA) where: Base-Base interactions energy: -892.013 where: short stacking energy: -387.048 Base-Backbone interact. energy: -1.751 local terms energy: -400.536994 where: bonds (distance) C4'-P energy: -84.196 bonds (distance) P-C4' energy: -73.340 flat angles C4'-P-C4' energy: -80.715 flat angles P-C4'-P energy: -55.059 tors. eta vs tors. theta energy: -107.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -1267.652026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.652026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.652026 (E_RNA) where: Base-Base interactions energy: -876.015 where: short stacking energy: -375.000 Base-Backbone interact. energy: -1.315 local terms energy: -390.321459 where: bonds (distance) C4'-P energy: -77.861 bonds (distance) P-C4' energy: -78.939 flat angles C4'-P-C4' energy: -87.695 flat angles P-C4'-P energy: -48.142 tors. eta vs tors. theta energy: -97.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -1235.253742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.253742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.253742 (E_RNA) where: Base-Base interactions energy: -852.514 where: short stacking energy: -352.524 Base-Backbone interact. energy: -0.718 local terms energy: -382.021224 where: bonds (distance) C4'-P energy: -69.011 bonds (distance) P-C4' energy: -64.477 flat angles C4'-P-C4' energy: -90.291 flat angles P-C4'-P energy: -53.920 tors. eta vs tors. theta energy: -104.322 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: 8 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -1116.343606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.343606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.343606 (E_RNA) where: Base-Base interactions energy: -736.795 where: short stacking energy: -317.144 Base-Backbone interact. energy: -1.532 local terms energy: -378.016347 where: bonds (distance) C4'-P energy: -83.107 bonds (distance) P-C4' energy: -70.345 flat angles C4'-P-C4' energy: -77.323 flat angles P-C4'-P energy: -52.007 tors. eta vs tors. theta energy: -95.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -977.431014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.431014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.431014 (E_RNA) where: Base-Base interactions energy: -631.002 where: short stacking energy: -270.482 Base-Backbone interact. energy: -1.071 local terms energy: -345.358016 where: bonds (distance) C4'-P energy: -65.420 bonds (distance) P-C4' energy: -75.071 flat angles C4'-P-C4' energy: -85.295 flat angles P-C4'-P energy: -45.337 tors. eta vs tors. theta energy: -74.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -847.138398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.138398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.138398 (E_RNA) where: Base-Base interactions energy: -544.808 where: short stacking energy: -252.586 Base-Backbone interact. energy: 4.306 local terms energy: -306.636802 where: bonds (distance) C4'-P energy: -72.486 bonds (distance) P-C4' energy: -68.988 flat angles C4'-P-C4' energy: -60.267 flat angles P-C4'-P energy: -40.982 tors. eta vs tors. theta energy: -63.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -692.364963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.364963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.364963 (E_RNA) where: Base-Base interactions energy: -412.739 where: short stacking energy: -189.767 Base-Backbone interact. energy: -0.277 local terms energy: -279.349297 where: bonds (distance) C4'-P energy: -75.531 bonds (distance) P-C4' energy: -63.607 flat angles C4'-P-C4' energy: -55.420 flat angles P-C4'-P energy: -48.303 tors. eta vs tors. theta energy: -36.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -492.135013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.135013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.135013 (E_RNA) where: Base-Base interactions energy: -259.219 where: short stacking energy: -138.080 Base-Backbone interact. energy: -2.094 local terms energy: -230.821681 where: bonds (distance) C4'-P energy: -73.751 bonds (distance) P-C4' energy: -74.979 flat angles C4'-P-C4' energy: -54.288 flat angles P-C4'-P energy: -36.086 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: 10, replica: 10 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -430.791558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.791558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.791558 (E_RNA) where: Base-Base interactions energy: -224.180 where: short stacking energy: -130.243 Base-Backbone interact. energy: 0.004 local terms energy: -206.615619 where: bonds (distance) C4'-P energy: -61.927 bonds (distance) P-C4' energy: -79.043 flat angles C4'-P-C4' energy: -27.470 flat angles P-C4'-P energy: -42.459 tors. eta vs tors. theta energy: 4.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -1409.498940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.498940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.498940 (E_RNA) where: Base-Base interactions energy: -983.091 where: short stacking energy: -415.346 Base-Backbone interact. energy: -6.088 local terms energy: -420.320352 where: bonds (distance) C4'-P energy: -79.301 bonds (distance) P-C4' energy: -82.704 flat angles C4'-P-C4' energy: -90.253 flat angles P-C4'-P energy: -50.707 tors. eta vs tors. theta energy: -117.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -1330.246595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.246595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.246595 (E_RNA) where: Base-Base interactions energy: -885.340 where: short stacking energy: -400.512 Base-Backbone interact. energy: -4.405 local terms energy: -440.501131 where: bonds (distance) C4'-P energy: -76.775 bonds (distance) P-C4' energy: -91.649 flat angles C4'-P-C4' energy: -92.960 flat angles P-C4'-P energy: -60.384 tors. eta vs tors. theta energy: -118.734 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: 3, replica: 9 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -1253.740254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.740254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.740254 (E_RNA) where: Base-Base interactions energy: -863.172 where: short stacking energy: -356.271 Base-Backbone interact. energy: 4.315 local terms energy: -394.883386 where: bonds (distance) C4'-P energy: -69.192 bonds (distance) P-C4' energy: -79.586 flat angles C4'-P-C4' energy: -88.713 flat angles P-C4'-P energy: -52.880 tors. eta vs tors. theta energy: -104.511 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: 1 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -1260.199186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.199186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.199186 (E_RNA) where: Base-Base interactions energy: -864.626 where: short stacking energy: -362.163 Base-Backbone interact. energy: -1.278 local terms energy: -394.295729 where: bonds (distance) C4'-P energy: -76.041 bonds (distance) P-C4' energy: -79.884 flat angles C4'-P-C4' energy: -75.414 flat angles P-C4'-P energy: -52.918 tors. eta vs tors. theta energy: -110.039 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: 8 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -1130.815874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.815874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.815874 (E_RNA) where: Base-Base interactions energy: -772.351 where: short stacking energy: -345.293 Base-Backbone interact. energy: -0.696 local terms energy: -357.768952 where: bonds (distance) C4'-P energy: -63.546 bonds (distance) P-C4' energy: -68.140 flat angles C4'-P-C4' energy: -77.069 flat angles P-C4'-P energy: -60.019 tors. eta vs tors. theta energy: -88.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -1055.246915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.246915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.246915 (E_RNA) where: Base-Base interactions energy: -707.100 where: short stacking energy: -314.996 Base-Backbone interact. energy: -1.138 local terms energy: -347.008800 where: bonds (distance) C4'-P energy: -79.312 bonds (distance) P-C4' energy: -67.892 flat angles C4'-P-C4' energy: -64.518 flat angles P-C4'-P energy: -63.246 tors. eta vs tors. theta energy: -72.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -911.200157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.200157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.200157 (E_RNA) where: Base-Base interactions energy: -594.064 where: short stacking energy: -270.623 Base-Backbone interact. energy: -1.011 local terms energy: -316.125046 where: bonds (distance) C4'-P energy: -64.309 bonds (distance) P-C4' energy: -70.921 flat angles C4'-P-C4' energy: -72.929 flat angles P-C4'-P energy: -43.625 tors. eta vs tors. theta energy: -64.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -668.170572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.170572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.170572 (E_RNA) where: Base-Base interactions energy: -376.116 where: short stacking energy: -207.746 Base-Backbone interact. energy: -0.667 local terms energy: -291.387120 where: bonds (distance) C4'-P energy: -45.436 bonds (distance) P-C4' energy: -76.292 flat angles C4'-P-C4' energy: -77.151 flat angles P-C4'-P energy: -49.546 tors. eta vs tors. theta energy: -42.963 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: 4 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -580.267318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.267318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.267318 (E_RNA) where: Base-Base interactions energy: -342.021 where: short stacking energy: -182.825 Base-Backbone interact. energy: 6.232 local terms energy: -244.478725 where: bonds (distance) C4'-P energy: -66.275 bonds (distance) P-C4' energy: -56.230 flat angles C4'-P-C4' energy: -48.272 flat angles P-C4'-P energy: -44.618 tors. eta vs tors. theta energy: -29.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -448.655470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.655470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.655470 (E_RNA) where: Base-Base interactions energy: -251.185 where: short stacking energy: -145.393 Base-Backbone interact. energy: -1.204 local terms energy: -196.267081 where: bonds (distance) C4'-P energy: -65.039 bonds (distance) P-C4' energy: -62.948 flat angles C4'-P-C4' energy: -27.433 flat angles P-C4'-P energy: -32.172 tors. eta vs tors. theta energy: -8.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -1405.100841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.100841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.100841 (E_RNA) where: Base-Base interactions energy: -977.405 where: short stacking energy: -410.955 Base-Backbone interact. energy: -3.621 local terms energy: -424.074903 where: bonds (distance) C4'-P energy: -77.940 bonds (distance) P-C4' energy: -72.469 flat angles C4'-P-C4' energy: -84.864 flat angles P-C4'-P energy: -60.966 tors. eta vs tors. theta energy: -127.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -1322.808862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.808862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.808862 (E_RNA) where: Base-Base interactions energy: -892.300 where: short stacking energy: -393.000 Base-Backbone interact. energy: -3.974 local terms energy: -426.534783 where: bonds (distance) C4'-P energy: -83.723 bonds (distance) P-C4' energy: -78.165 flat angles C4'-P-C4' energy: -89.406 flat angles P-C4'-P energy: -53.090 tors. eta vs tors. theta energy: -122.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -1250.382781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.382781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.382781 (E_RNA) where: Base-Base interactions energy: -847.983 where: short stacking energy: -356.807 Base-Backbone interact. energy: -0.932 local terms energy: -401.467641 where: bonds (distance) C4'-P energy: -76.140 bonds (distance) P-C4' energy: -79.903 flat angles C4'-P-C4' energy: -84.792 flat angles P-C4'-P energy: -54.583 tors. eta vs tors. theta energy: -106.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -1265.960349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.960349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.960349 (E_RNA) where: Base-Base interactions energy: -866.406 where: short stacking energy: -368.154 Base-Backbone interact. energy: 0.100 local terms energy: -399.654426 where: bonds (distance) C4'-P energy: -77.795 bonds (distance) P-C4' energy: -74.688 flat angles C4'-P-C4' energy: -85.632 flat angles P-C4'-P energy: -59.958 tors. eta vs tors. theta energy: -101.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -1108.413149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.413149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.413149 (E_RNA) where: Base-Base interactions energy: -750.526 where: short stacking energy: -308.671 Base-Backbone interact. energy: -2.141 local terms energy: -355.745996 where: bonds (distance) C4'-P energy: -79.065 bonds (distance) P-C4' energy: -64.646 flat angles C4'-P-C4' energy: -75.556 flat angles P-C4'-P energy: -52.771 tors. eta vs tors. theta energy: -83.708 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: 6, replica: 7 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -1045.815650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.815650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.815650 (E_RNA) where: Base-Base interactions energy: -680.580 where: short stacking energy: -300.303 Base-Backbone interact. energy: 1.716 local terms energy: -366.951108 where: bonds (distance) C4'-P energy: -78.036 bonds (distance) P-C4' energy: -77.666 flat angles C4'-P-C4' energy: -68.230 flat angles P-C4'-P energy: -62.158 tors. eta vs tors. theta energy: -80.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -883.538169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.538169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.538169 (E_RNA) where: Base-Base interactions energy: -526.646 where: short stacking energy: -245.739 Base-Backbone interact. energy: 0.557 local terms energy: -357.449346 where: bonds (distance) C4'-P energy: -73.669 bonds (distance) P-C4' energy: -83.596 flat angles C4'-P-C4' energy: -77.879 flat angles P-C4'-P energy: -52.101 tors. eta vs tors. theta energy: -70.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -607.202262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.202262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.202262 (E_RNA) where: Base-Base interactions energy: -348.060 where: short stacking energy: -188.391 Base-Backbone interact. energy: -1.006 local terms energy: -258.135940 where: bonds (distance) C4'-P energy: -59.528 bonds (distance) P-C4' energy: -72.108 flat angles C4'-P-C4' energy: -75.324 flat angles P-C4'-P energy: -22.238 tors. eta vs tors. theta energy: -28.938 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: 9, replica: 4 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -400.168504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.168504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.168504 (E_RNA) where: Base-Base interactions energy: -178.325 where: short stacking energy: -117.754 Base-Backbone interact. energy: 2.710 local terms energy: -224.553149 where: bonds (distance) C4'-P energy: -63.437 bonds (distance) P-C4' energy: -71.604 flat angles C4'-P-C4' energy: -60.679 flat angles P-C4'-P energy: -36.302 tors. eta vs tors. theta energy: 7.470 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: 10 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -415.486830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.486830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.486830 (E_RNA) where: Base-Base interactions energy: -183.194 where: short stacking energy: -116.351 Base-Backbone interact. energy: -2.722 local terms energy: -229.570078 where: bonds (distance) C4'-P energy: -76.295 bonds (distance) P-C4' energy: -50.312 flat angles C4'-P-C4' energy: -71.731 flat angles P-C4'-P energy: -32.982 tors. eta vs tors. theta energy: 1.751 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: 1, replica: 3 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -1409.154183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.154183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.154183 (E_RNA) where: Base-Base interactions energy: -962.108 where: short stacking energy: -397.249 Base-Backbone interact. energy: -0.698 local terms energy: -446.348076 where: bonds (distance) C4'-P energy: -86.237 bonds (distance) P-C4' energy: -91.192 flat angles C4'-P-C4' energy: -87.028 flat angles P-C4'-P energy: -62.966 tors. eta vs tors. theta energy: -118.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -1309.517322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.517322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.517322 (E_RNA) where: Base-Base interactions energy: -885.048 where: short stacking energy: -395.619 Base-Backbone interact. energy: -2.470 local terms energy: -421.999229 where: bonds (distance) C4'-P energy: -73.202 bonds (distance) P-C4' energy: -72.112 flat angles C4'-P-C4' energy: -91.335 flat angles P-C4'-P energy: -53.609 tors. eta vs tors. theta energy: -131.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -1243.149147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.149147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.149147 (E_RNA) where: Base-Base interactions energy: -859.207 where: short stacking energy: -360.848 Base-Backbone interact. energy: 2.288 local terms energy: -386.229824 where: bonds (distance) C4'-P energy: -74.107 bonds (distance) P-C4' energy: -75.738 flat angles C4'-P-C4' energy: -90.202 flat angles P-C4'-P energy: -47.890 tors. eta vs tors. theta energy: -98.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -1234.207371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.207371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.207371 (E_RNA) where: Base-Base interactions energy: -846.566 where: short stacking energy: -350.767 Base-Backbone interact. energy: -1.100 local terms energy: -386.540908 where: bonds (distance) C4'-P energy: -76.802 bonds (distance) P-C4' energy: -78.373 flat angles C4'-P-C4' energy: -81.768 flat angles P-C4'-P energy: -54.299 tors. eta vs tors. theta energy: -95.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -1045.102489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.102489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.102489 (E_RNA) where: Base-Base interactions energy: -687.903 where: short stacking energy: -309.668 Base-Backbone interact. energy: -0.486 local terms energy: -356.713451 where: bonds (distance) C4'-P energy: -71.325 bonds (distance) P-C4' energy: -71.374 flat angles C4'-P-C4' energy: -81.104 flat angles P-C4'-P energy: -50.543 tors. eta vs tors. theta energy: -82.367 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: 8 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -1048.158909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.158909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.158909 (E_RNA) where: Base-Base interactions energy: -701.054 where: short stacking energy: -308.160 Base-Backbone interact. energy: -1.978 local terms energy: -345.127846 where: bonds (distance) C4'-P energy: -80.570 bonds (distance) P-C4' energy: -70.789 flat angles C4'-P-C4' energy: -70.059 flat angles P-C4'-P energy: -46.550 tors. eta vs tors. theta energy: -77.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -869.262527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.262527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.262527 (E_RNA) where: Base-Base interactions energy: -561.086 where: short stacking energy: -267.816 Base-Backbone interact. energy: -1.351 local terms energy: -306.825621 where: bonds (distance) C4'-P energy: -64.863 bonds (distance) P-C4' energy: -67.261 flat angles C4'-P-C4' energy: -77.026 flat angles P-C4'-P energy: -43.964 tors. eta vs tors. theta energy: -53.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -632.596637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.596637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.596637 (E_RNA) where: Base-Base interactions energy: -345.656 where: short stacking energy: -157.617 Base-Backbone interact. energy: 0.791 local terms energy: -287.730769 where: bonds (distance) C4'-P energy: -76.535 bonds (distance) P-C4' energy: -76.334 flat angles C4'-P-C4' energy: -66.648 flat angles P-C4'-P energy: -45.748 tors. eta vs tors. theta energy: -22.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -424.998920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.998920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.998920 (E_RNA) where: Base-Base interactions energy: -210.725 where: short stacking energy: -139.033 Base-Backbone interact. energy: -1.527 local terms energy: -212.747812 where: bonds (distance) C4'-P energy: -71.414 bonds (distance) P-C4' energy: -62.731 flat angles C4'-P-C4' energy: -47.134 flat angles P-C4'-P energy: -24.306 tors. eta vs tors. theta energy: -7.163 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: 10, replica: 10 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -405.078061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.078061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.078061 (E_RNA) where: Base-Base interactions energy: -188.252 where: short stacking energy: -119.470 Base-Backbone interact. energy: 0.210 local terms energy: -217.035665 where: bonds (distance) C4'-P energy: -53.521 bonds (distance) P-C4' energy: -63.473 flat angles C4'-P-C4' energy: -74.829 flat angles P-C4'-P energy: -32.681 tors. eta vs tors. theta energy: 7.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -1387.581858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.581858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.581858 (E_RNA) where: Base-Base interactions energy: -969.837 where: short stacking energy: -397.012 Base-Backbone interact. energy: -4.096 local terms energy: -413.648462 where: bonds (distance) C4'-P energy: -72.960 bonds (distance) P-C4' energy: -83.708 flat angles C4'-P-C4' energy: -84.232 flat angles P-C4'-P energy: -53.186 tors. eta vs tors. theta energy: -119.561 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: 5 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -1317.452993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.452993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.452993 (E_RNA) where: Base-Base interactions energy: -903.298 where: short stacking energy: -391.969 Base-Backbone interact. energy: 0.096 local terms energy: -414.250880 where: bonds (distance) C4'-P energy: -83.930 bonds (distance) P-C4' energy: -82.300 flat angles C4'-P-C4' energy: -82.289 flat angles P-C4'-P energy: -48.988 tors. eta vs tors. theta energy: -116.743 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: 3, replica: 9 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -1253.751548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.751548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.751548 (E_RNA) where: Base-Base interactions energy: -839.993 where: short stacking energy: -363.793 Base-Backbone interact. energy: 0.263 local terms energy: -414.020888 where: bonds (distance) C4'-P energy: -85.117 bonds (distance) P-C4' energy: -74.349 flat angles C4'-P-C4' energy: -92.043 flat angles P-C4'-P energy: -58.365 tors. eta vs tors. theta energy: -104.147 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: 1 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -1194.753844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.753844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.753844 (E_RNA) where: Base-Base interactions energy: -806.570 where: short stacking energy: -335.182 Base-Backbone interact. energy: -3.121 local terms energy: -385.063029 where: bonds (distance) C4'-P energy: -86.721 bonds (distance) P-C4' energy: -71.793 flat angles C4'-P-C4' energy: -71.789 flat angles P-C4'-P energy: -55.942 tors. eta vs tors. theta energy: -98.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -1054.919149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.919149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.919149 (E_RNA) where: Base-Base interactions energy: -685.632 where: short stacking energy: -300.695 Base-Backbone interact. energy: 2.816 local terms energy: -372.102604 where: bonds (distance) C4'-P energy: -79.570 bonds (distance) P-C4' energy: -61.970 flat angles C4'-P-C4' energy: -85.619 flat angles P-C4'-P energy: -66.987 tors. eta vs tors. theta energy: -77.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -1103.805558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.805558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.805558 (E_RNA) where: Base-Base interactions energy: -746.936 where: short stacking energy: -295.983 Base-Backbone interact. energy: -1.505 local terms energy: -355.364802 where: bonds (distance) C4'-P energy: -80.313 bonds (distance) P-C4' energy: -66.617 flat angles C4'-P-C4' energy: -87.646 flat angles P-C4'-P energy: -41.602 tors. eta vs tors. theta energy: -79.188 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: 6 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -856.509820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.509820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.509820 (E_RNA) where: Base-Base interactions energy: -539.003 where: short stacking energy: -230.118 Base-Backbone interact. energy: 0.544 local terms energy: -318.050592 where: bonds (distance) C4'-P energy: -77.209 bonds (distance) P-C4' energy: -77.747 flat angles C4'-P-C4' energy: -67.052 flat angles P-C4'-P energy: -43.491 tors. eta vs tors. theta energy: -52.551 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: 2 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -675.603598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.603598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.603598 (E_RNA) where: Base-Base interactions energy: -402.015 where: short stacking energy: -172.632 Base-Backbone interact. energy: -1.565 local terms energy: -272.024255 where: bonds (distance) C4'-P energy: -58.456 bonds (distance) P-C4' energy: -80.844 flat angles C4'-P-C4' energy: -69.253 flat angles P-C4'-P energy: -36.821 tors. eta vs tors. theta energy: -26.650 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: 4 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -421.039781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.039781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.039781 (E_RNA) where: Base-Base interactions energy: -189.566 where: short stacking energy: -115.062 Base-Backbone interact. energy: -1.587 local terms energy: -229.886153 where: bonds (distance) C4'-P energy: -71.739 bonds (distance) P-C4' energy: -48.757 flat angles C4'-P-C4' energy: -69.370 flat angles P-C4'-P energy: -37.606 tors. eta vs tors. theta energy: -2.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -336.146649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.146649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.146649 (E_RNA) where: Base-Base interactions energy: -116.751 where: short stacking energy: -102.256 Base-Backbone interact. energy: 2.946 local terms energy: -222.341548 where: bonds (distance) C4'-P energy: -61.808 bonds (distance) P-C4' energy: -55.856 flat angles C4'-P-C4' energy: -71.396 flat angles P-C4'-P energy: -49.163 tors. eta vs tors. theta energy: 15.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -1379.455134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.455134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.455134 (E_RNA) where: Base-Base interactions energy: -944.267 where: short stacking energy: -394.082 Base-Backbone interact. energy: -2.228 local terms energy: -432.959451 where: bonds (distance) C4'-P energy: -85.445 bonds (distance) P-C4' energy: -79.801 flat angles C4'-P-C4' energy: -89.999 flat angles P-C4'-P energy: -58.515 tors. eta vs tors. theta energy: -119.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -1323.886289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.886289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.886289 (E_RNA) where: Base-Base interactions energy: -900.712 where: short stacking energy: -393.139 Base-Backbone interact. energy: -1.905 local terms energy: -421.269898 where: bonds (distance) C4'-P energy: -61.045 bonds (distance) P-C4' energy: -89.402 flat angles C4'-P-C4' energy: -85.501 flat angles P-C4'-P energy: -58.538 tors. eta vs tors. theta energy: -126.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -1249.200466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.200466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.200466 (E_RNA) where: Base-Base interactions energy: -857.428 where: short stacking energy: -349.505 Base-Backbone interact. energy: 0.061 local terms energy: -391.833420 where: bonds (distance) C4'-P energy: -74.554 bonds (distance) P-C4' energy: -77.706 flat angles C4'-P-C4' energy: -73.057 flat angles P-C4'-P energy: -66.554 tors. eta vs tors. theta energy: -99.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -1224.461631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.461631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.461631 (E_RNA) where: Base-Base interactions energy: -841.533 where: short stacking energy: -367.226 Base-Backbone interact. energy: -2.938 local terms energy: -379.990372 where: bonds (distance) C4'-P energy: -75.434 bonds (distance) P-C4' energy: -66.114 flat angles C4'-P-C4' energy: -79.777 flat angles P-C4'-P energy: -58.234 tors. eta vs tors. theta energy: -100.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -1120.579866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.579866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.579866 (E_RNA) where: Base-Base interactions energy: -732.599 where: short stacking energy: -304.062 Base-Backbone interact. energy: -1.653 local terms energy: -386.327822 where: bonds (distance) C4'-P energy: -80.033 bonds (distance) P-C4' energy: -81.554 flat angles C4'-P-C4' energy: -83.675 flat angles P-C4'-P energy: -55.664 tors. eta vs tors. theta energy: -85.402 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: 6, replica: 7 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -1011.921729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.921729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.921729 (E_RNA) where: Base-Base interactions energy: -698.051 where: short stacking energy: -315.481 Base-Backbone interact. energy: -0.645 local terms energy: -313.225958 where: bonds (distance) C4'-P energy: -60.055 bonds (distance) P-C4' energy: -66.796 flat angles C4'-P-C4' energy: -74.483 flat angles P-C4'-P energy: -40.214 tors. eta vs tors. theta energy: -71.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -870.468154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.468154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.468154 (E_RNA) where: Base-Base interactions energy: -529.725 where: short stacking energy: -240.090 Base-Backbone interact. energy: -0.132 local terms energy: -340.611947 where: bonds (distance) C4'-P energy: -78.765 bonds (distance) P-C4' energy: -77.901 flat angles C4'-P-C4' energy: -71.070 flat angles P-C4'-P energy: -51.686 tors. eta vs tors. theta energy: -61.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -627.711852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.711852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.711852 (E_RNA) where: Base-Base interactions energy: -363.148 where: short stacking energy: -169.352 Base-Backbone interact. energy: -2.138 local terms energy: -262.426006 where: bonds (distance) C4'-P energy: -63.097 bonds (distance) P-C4' energy: -59.827 flat angles C4'-P-C4' energy: -64.736 flat angles P-C4'-P energy: -42.020 tors. eta vs tors. theta energy: -32.746 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: 9, replica: 4 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -449.855886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.855886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.855886 (E_RNA) where: Base-Base interactions energy: -210.638 where: short stacking energy: -120.331 Base-Backbone interact. energy: 1.282 local terms energy: -240.499435 where: bonds (distance) C4'-P energy: -59.078 bonds (distance) P-C4' energy: -74.012 flat angles C4'-P-C4' energy: -58.286 flat angles P-C4'-P energy: -41.055 tors. eta vs tors. theta energy: -8.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -323.657214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.657214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.657214 (E_RNA) where: Base-Base interactions energy: -127.023 where: short stacking energy: -107.012 Base-Backbone interact. energy: 0.037 local terms energy: -196.671561 where: bonds (distance) C4'-P energy: -57.762 bonds (distance) P-C4' energy: -62.116 flat angles C4'-P-C4' energy: -45.541 flat angles P-C4'-P energy: -33.466 tors. eta vs tors. theta energy: 2.213 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: 1, replica: 3 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -1395.862069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.862069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.862069 (E_RNA) where: Base-Base interactions energy: -972.876 where: short stacking energy: -405.612 Base-Backbone interact. energy: -2.862 local terms energy: -420.124387 where: bonds (distance) C4'-P energy: -75.092 bonds (distance) P-C4' energy: -78.682 flat angles C4'-P-C4' energy: -88.433 flat angles P-C4'-P energy: -61.958 tors. eta vs tors. theta energy: -115.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -1304.233456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.233456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.233456 (E_RNA) where: Base-Base interactions energy: -878.750 where: short stacking energy: -392.844 Base-Backbone interact. energy: -1.195 local terms energy: -424.288844 where: bonds (distance) C4'-P energy: -80.567 bonds (distance) P-C4' energy: -78.003 flat angles C4'-P-C4' energy: -89.673 flat angles P-C4'-P energy: -58.925 tors. eta vs tors. theta energy: -117.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -1260.226714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.226714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.226714 (E_RNA) where: Base-Base interactions energy: -855.563 where: short stacking energy: -370.743 Base-Backbone interact. energy: -4.423 local terms energy: -400.240054 where: bonds (distance) C4'-P energy: -63.529 bonds (distance) P-C4' energy: -74.607 flat angles C4'-P-C4' energy: -90.828 flat angles P-C4'-P energy: -60.768 tors. eta vs tors. theta energy: -110.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -1207.443235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.443235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.443235 (E_RNA) where: Base-Base interactions energy: -821.622 where: short stacking energy: -363.607 Base-Backbone interact. energy: -1.920 local terms energy: -383.901485 where: bonds (distance) C4'-P energy: -75.258 bonds (distance) P-C4' energy: -75.180 flat angles C4'-P-C4' energy: -74.735 flat angles P-C4'-P energy: -43.540 tors. eta vs tors. theta energy: -115.188 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: 8 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -1159.589581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.589581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.589581 (E_RNA) where: Base-Base interactions energy: -796.847 where: short stacking energy: -344.256 Base-Backbone interact. energy: -1.347 local terms energy: -361.395232 where: bonds (distance) C4'-P energy: -65.366 bonds (distance) P-C4' energy: -75.730 flat angles C4'-P-C4' energy: -76.470 flat angles P-C4'-P energy: -47.524 tors. eta vs tors. theta energy: -96.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -1007.010609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.010609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.010609 (E_RNA) where: Base-Base interactions energy: -657.704 where: short stacking energy: -290.964 Base-Backbone interact. energy: -1.395 local terms energy: -347.911964 where: bonds (distance) C4'-P energy: -78.215 bonds (distance) P-C4' energy: -64.595 flat angles C4'-P-C4' energy: -85.081 flat angles P-C4'-P energy: -52.904 tors. eta vs tors. theta energy: -67.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -878.084830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.084830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.084830 (E_RNA) where: Base-Base interactions energy: -547.352 where: short stacking energy: -242.584 Base-Backbone interact. energy: -2.646 local terms energy: -328.086955 where: bonds (distance) C4'-P energy: -83.383 bonds (distance) P-C4' energy: -72.761 flat angles C4'-P-C4' energy: -56.402 flat angles P-C4'-P energy: -52.342 tors. eta vs tors. theta energy: -63.199 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: 2 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -672.696052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.696052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.696052 (E_RNA) where: Base-Base interactions energy: -404.811 where: short stacking energy: -214.972 Base-Backbone interact. energy: 3.514 local terms energy: -271.399125 where: bonds (distance) C4'-P energy: -53.031 bonds (distance) P-C4' energy: -67.372 flat angles C4'-P-C4' energy: -75.298 flat angles P-C4'-P energy: -39.554 tors. eta vs tors. theta energy: -36.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -485.061948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.061948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.061948 (E_RNA) where: Base-Base interactions energy: -234.167 where: short stacking energy: -125.061 Base-Backbone interact. energy: -0.742 local terms energy: -250.152902 where: bonds (distance) C4'-P energy: -68.200 bonds (distance) P-C4' energy: -80.695 flat angles C4'-P-C4' energy: -65.647 flat angles P-C4'-P energy: -36.511 tors. eta vs tors. theta energy: 0.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -351.073725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.073725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.073725 (E_RNA) where: Base-Base interactions energy: -140.163 where: short stacking energy: -107.756 Base-Backbone interact. energy: -2.881 local terms energy: -208.028953 where: bonds (distance) C4'-P energy: -69.861 bonds (distance) P-C4' energy: -61.885 flat angles C4'-P-C4' energy: -54.276 flat angles P-C4'-P energy: -41.570 tors. eta vs tors. theta energy: 19.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -1404.063674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.063674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.063674 (E_RNA) where: Base-Base interactions energy: -971.346 where: short stacking energy: -418.369 Base-Backbone interact. energy: -2.552 local terms energy: -430.165793 where: bonds (distance) C4'-P energy: -83.414 bonds (distance) P-C4' energy: -78.786 flat angles C4'-P-C4' energy: -94.618 flat angles P-C4'-P energy: -58.181 tors. eta vs tors. theta energy: -115.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -1323.038135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.038135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.038135 (E_RNA) where: Base-Base interactions energy: -905.297 where: short stacking energy: -408.229 Base-Backbone interact. energy: -0.812 local terms energy: -416.929572 where: bonds (distance) C4'-P energy: -72.081 bonds (distance) P-C4' energy: -74.958 flat angles C4'-P-C4' energy: -91.377 flat angles P-C4'-P energy: -57.614 tors. eta vs tors. theta energy: -120.899 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: 9 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -1258.960209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.960209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.960209 (E_RNA) where: Base-Base interactions energy: -865.489 where: short stacking energy: -379.582 Base-Backbone interact. energy: 0.613 local terms energy: -394.084564 where: bonds (distance) C4'-P energy: -80.139 bonds (distance) P-C4' energy: -59.492 flat angles C4'-P-C4' energy: -86.080 flat angles P-C4'-P energy: -58.325 tors. eta vs tors. theta energy: -110.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -1231.298219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.298219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.298219 (E_RNA) where: Base-Base interactions energy: -840.590 where: short stacking energy: -370.245 Base-Backbone interact. energy: -1.415 local terms energy: -389.293458 where: bonds (distance) C4'-P energy: -72.746 bonds (distance) P-C4' energy: -75.351 flat angles C4'-P-C4' energy: -85.359 flat angles P-C4'-P energy: -50.085 tors. eta vs tors. theta energy: -105.752 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: 5, replica: 8 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -1165.036109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.036109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.036109 (E_RNA) where: Base-Base interactions energy: -782.172 where: short stacking energy: -334.122 Base-Backbone interact. energy: -0.556 local terms energy: -382.307815 where: bonds (distance) C4'-P energy: -67.574 bonds (distance) P-C4' energy: -74.935 flat angles C4'-P-C4' energy: -76.912 flat angles P-C4'-P energy: -63.529 tors. eta vs tors. theta energy: -99.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -996.910942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.910942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.910942 (E_RNA) where: Base-Base interactions energy: -648.726 where: short stacking energy: -284.940 Base-Backbone interact. energy: -1.295 local terms energy: -346.889667 where: bonds (distance) C4'-P energy: -85.276 bonds (distance) P-C4' energy: -69.452 flat angles C4'-P-C4' energy: -82.958 flat angles P-C4'-P energy: -37.599 tors. eta vs tors. theta energy: -71.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -863.026746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.026746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.026746 (E_RNA) where: Base-Base interactions energy: -552.023 where: short stacking energy: -245.241 Base-Backbone interact. energy: -1.960 local terms energy: -309.044258 where: bonds (distance) C4'-P energy: -67.239 bonds (distance) P-C4' energy: -65.158 flat angles C4'-P-C4' energy: -70.935 flat angles P-C4'-P energy: -47.907 tors. eta vs tors. theta energy: -57.806 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: 2 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -657.078576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.078576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.078576 (E_RNA) where: Base-Base interactions energy: -374.446 where: short stacking energy: -177.893 Base-Backbone interact. energy: 5.954 local terms energy: -288.587290 where: bonds (distance) C4'-P energy: -77.968 bonds (distance) P-C4' energy: -70.424 flat angles C4'-P-C4' energy: -69.972 flat angles P-C4'-P energy: -49.256 tors. eta vs tors. theta energy: -20.968 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: 4 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -449.750906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.750906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.750906 (E_RNA) where: Base-Base interactions energy: -221.863 where: short stacking energy: -131.602 Base-Backbone interact. energy: -1.750 local terms energy: -226.137810 where: bonds (distance) C4'-P energy: -60.179 bonds (distance) P-C4' energy: -71.225 flat angles C4'-P-C4' energy: -60.665 flat angles P-C4'-P energy: -27.694 tors. eta vs tors. theta energy: -6.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -320.343890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.343890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.343890 (E_RNA) where: Base-Base interactions energy: -121.165 where: short stacking energy: -89.610 Base-Backbone interact. energy: 1.930 local terms energy: -201.108915 where: bonds (distance) C4'-P energy: -74.174 bonds (distance) P-C4' energy: -67.516 flat angles C4'-P-C4' energy: -40.302 flat angles P-C4'-P energy: -35.552 tors. eta vs tors. theta energy: 16.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -1387.318668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.318668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.318668 (E_RNA) where: Base-Base interactions energy: -941.122 where: short stacking energy: -389.781 Base-Backbone interact. energy: -1.108 local terms energy: -445.089541 where: bonds (distance) C4'-P energy: -89.669 bonds (distance) P-C4' energy: -82.245 flat angles C4'-P-C4' energy: -92.257 flat angles P-C4'-P energy: -61.262 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: 2, replica: 5 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -1326.467663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.467663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.467663 (E_RNA) where: Base-Base interactions energy: -904.176 where: short stacking energy: -400.981 Base-Backbone interact. energy: -0.436 local terms energy: -421.855136 where: bonds (distance) C4'-P energy: -79.262 bonds (distance) P-C4' energy: -82.790 flat angles C4'-P-C4' energy: -85.653 flat angles P-C4'-P energy: -55.148 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: 3, replica: 9 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -1261.168331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.168331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.168331 (E_RNA) where: Base-Base interactions energy: -841.929 where: short stacking energy: -368.492 Base-Backbone interact. energy: 0.296 local terms energy: -419.535783 where: bonds (distance) C4'-P energy: -80.069 bonds (distance) P-C4' energy: -86.247 flat angles C4'-P-C4' energy: -83.443 flat angles P-C4'-P energy: -59.694 tors. eta vs tors. theta energy: -110.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -1241.621833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.621833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.621833 (E_RNA) where: Base-Base interactions energy: -855.300 where: short stacking energy: -376.016 Base-Backbone interact. energy: -2.573 local terms energy: -383.748722 where: bonds (distance) C4'-P energy: -57.336 bonds (distance) P-C4' energy: -66.087 flat angles C4'-P-C4' energy: -85.884 flat angles P-C4'-P energy: -63.868 tors. eta vs tors. theta energy: -110.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -1126.994437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.994437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.994437 (E_RNA) where: Base-Base interactions energy: -778.935 where: short stacking energy: -324.325 Base-Backbone interact. energy: -0.781 local terms energy: -347.278037 where: bonds (distance) C4'-P energy: -71.007 bonds (distance) P-C4' energy: -65.151 flat angles C4'-P-C4' energy: -79.885 flat angles P-C4'-P energy: -51.429 tors. eta vs tors. theta energy: -79.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -1029.227715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.227715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.227715 (E_RNA) where: Base-Base interactions energy: -652.842 where: short stacking energy: -294.086 Base-Backbone interact. energy: -0.793 local terms energy: -375.592780 where: bonds (distance) C4'-P energy: -85.201 bonds (distance) P-C4' energy: -74.905 flat angles C4'-P-C4' energy: -74.626 flat angles P-C4'-P energy: -55.045 tors. eta vs tors. theta energy: -85.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -839.790100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.790100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.790100 (E_RNA) where: Base-Base interactions energy: -526.909 where: short stacking energy: -242.244 Base-Backbone interact. energy: -1.028 local terms energy: -311.853369 where: bonds (distance) C4'-P energy: -71.117 bonds (distance) P-C4' energy: -68.187 flat angles C4'-P-C4' energy: -64.240 flat angles P-C4'-P energy: -45.706 tors. eta vs tors. theta energy: -62.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -688.281353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.281353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.281353 (E_RNA) where: Base-Base interactions energy: -390.970 where: short stacking energy: -201.912 Base-Backbone interact. energy: -1.195 local terms energy: -296.116146 where: bonds (distance) C4'-P energy: -67.028 bonds (distance) P-C4' energy: -80.203 flat angles C4'-P-C4' energy: -75.256 flat angles P-C4'-P energy: -41.738 tors. eta vs tors. theta energy: -31.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -446.802054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.802054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.802054 (E_RNA) where: Base-Base interactions energy: -207.008 where: short stacking energy: -106.687 Base-Backbone interact. energy: -3.353 local terms energy: -236.440475 where: bonds (distance) C4'-P energy: -69.020 bonds (distance) P-C4' energy: -77.183 flat angles C4'-P-C4' energy: -67.466 flat angles P-C4'-P energy: -27.861 tors. eta vs tors. theta energy: 5.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -322.336292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.336292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.336292 (E_RNA) where: Base-Base interactions energy: -122.284 where: short stacking energy: -112.019 Base-Backbone interact. energy: -1.587 local terms energy: -198.465750 where: bonds (distance) C4'-P energy: -66.357 bonds (distance) P-C4' energy: -67.744 flat angles C4'-P-C4' energy: -34.770 flat angles P-C4'-P energy: -36.211 tors. eta vs tors. theta energy: 6.616 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: 1, replica: 3 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -1401.457596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.457596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.457596 (E_RNA) where: Base-Base interactions energy: -977.496 where: short stacking energy: -402.258 Base-Backbone interact. energy: 0.637 local terms energy: -424.598375 where: bonds (distance) C4'-P energy: -73.803 bonds (distance) P-C4' energy: -83.368 flat angles C4'-P-C4' energy: -86.975 flat angles P-C4'-P energy: -63.941 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: 2, replica: 5 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -1327.124558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.124558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.124558 (E_RNA) where: Base-Base interactions energy: -898.308 where: short stacking energy: -401.511 Base-Backbone interact. energy: -1.932 local terms energy: -426.884059 where: bonds (distance) C4'-P energy: -66.563 bonds (distance) P-C4' energy: -84.467 flat angles C4'-P-C4' energy: -87.588 flat angles P-C4'-P energy: -65.653 tors. eta vs tors. theta energy: -122.614 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: 3, replica: 1 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -1284.892967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.892967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.892967 (E_RNA) where: Base-Base interactions energy: -880.675 where: short stacking energy: -384.802 Base-Backbone interact. energy: -1.967 local terms energy: -402.250918 where: bonds (distance) C4'-P energy: -75.304 bonds (distance) P-C4' energy: -68.101 flat angles C4'-P-C4' energy: -84.007 flat angles P-C4'-P energy: -62.587 tors. eta vs tors. theta energy: -112.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -1229.845478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.845478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.845478 (E_RNA) where: Base-Base interactions energy: -838.223 where: short stacking energy: -350.697 Base-Backbone interact. energy: -2.213 local terms energy: -389.410343 where: bonds (distance) C4'-P energy: -74.380 bonds (distance) P-C4' energy: -75.805 flat angles C4'-P-C4' energy: -88.429 flat angles P-C4'-P energy: -54.700 tors. eta vs tors. theta energy: -96.095 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: 270 Temperature: 1.100000 Total energy: -1119.116816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.116816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.116816 (E_RNA) where: Base-Base interactions energy: -754.225 where: short stacking energy: -315.284 Base-Backbone interact. energy: 0.578 local terms energy: -365.470557 where: bonds (distance) C4'-P energy: -62.089 bonds (distance) P-C4' energy: -71.334 flat angles C4'-P-C4' energy: -82.551 flat angles P-C4'-P energy: -55.954 tors. eta vs tors. theta energy: -93.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -1015.429648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.429648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.429648 (E_RNA) where: Base-Base interactions energy: -656.346 where: short stacking energy: -268.489 Base-Backbone interact. energy: -2.949 local terms energy: -356.134815 where: bonds (distance) C4'-P energy: -72.446 bonds (distance) P-C4' energy: -80.209 flat angles C4'-P-C4' energy: -74.920 flat angles P-C4'-P energy: -49.365 tors. eta vs tors. theta energy: -79.194 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: 6 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -826.465817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.465817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.465817 (E_RNA) where: Base-Base interactions energy: -502.578 where: short stacking energy: -227.223 Base-Backbone interact. energy: 3.373 local terms energy: -327.260557 where: bonds (distance) C4'-P energy: -68.428 bonds (distance) P-C4' energy: -78.879 flat angles C4'-P-C4' energy: -73.265 flat angles P-C4'-P energy: -45.679 tors. eta vs tors. theta energy: -61.008 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: 2 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -684.649453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.649453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.649453 (E_RNA) where: Base-Base interactions energy: -387.488 where: short stacking energy: -195.664 Base-Backbone interact. energy: 1.712 local terms energy: -298.873374 where: bonds (distance) C4'-P energy: -72.402 bonds (distance) P-C4' energy: -76.324 flat angles C4'-P-C4' energy: -69.471 flat angles P-C4'-P energy: -48.720 tors. eta vs tors. theta energy: -31.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -429.856773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.856773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.856773 (E_RNA) where: Base-Base interactions energy: -196.608 where: short stacking energy: -135.051 Base-Backbone interact. energy: 0.833 local terms energy: -234.081235 where: bonds (distance) C4'-P energy: -60.832 bonds (distance) P-C4' energy: -67.955 flat angles C4'-P-C4' energy: -55.967 flat angles P-C4'-P energy: -31.423 tors. eta vs tors. theta energy: -17.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -324.559045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.559045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.559045 (E_RNA) where: Base-Base interactions energy: -112.721 where: short stacking energy: -94.005 Base-Backbone interact. energy: 4.139 local terms energy: -215.976953 where: bonds (distance) C4'-P energy: -63.994 bonds (distance) P-C4' energy: -78.065 flat angles C4'-P-C4' energy: -54.259 flat angles P-C4'-P energy: -43.428 tors. eta vs tors. theta energy: 23.770 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: 3 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -1412.475766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.475766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.475766 (E_RNA) where: Base-Base interactions energy: -962.861 where: short stacking energy: -402.338 Base-Backbone interact. energy: -3.851 local terms energy: -445.763514 where: bonds (distance) C4'-P energy: -89.711 bonds (distance) P-C4' energy: -75.567 flat angles C4'-P-C4' energy: -95.949 flat angles P-C4'-P energy: -65.900 tors. eta vs tors. theta energy: -118.636 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: 5 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -1334.320783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.320783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.320783 (E_RNA) where: Base-Base interactions energy: -918.694 where: short stacking energy: -394.495 Base-Backbone interact. energy: -3.225 local terms energy: -412.402611 where: bonds (distance) C4'-P energy: -71.946 bonds (distance) P-C4' energy: -73.442 flat angles C4'-P-C4' energy: -91.237 flat angles P-C4'-P energy: -57.085 tors. eta vs tors. theta energy: -118.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -1270.264629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.264629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.264629 (E_RNA) where: Base-Base interactions energy: -883.804 where: short stacking energy: -351.368 Base-Backbone interact. energy: -2.541 local terms energy: -383.919116 where: bonds (distance) C4'-P energy: -77.723 bonds (distance) P-C4' energy: -71.609 flat angles C4'-P-C4' energy: -76.093 flat angles P-C4'-P energy: -54.965 tors. eta vs tors. theta energy: -103.528 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: 9 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -1180.794394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.794394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.794394 (E_RNA) where: Base-Base interactions energy: -806.342 where: short stacking energy: -314.560 Base-Backbone interact. energy: -3.081 local terms energy: -371.372019 where: bonds (distance) C4'-P energy: -67.420 bonds (distance) P-C4' energy: -82.657 flat angles C4'-P-C4' energy: -75.988 flat angles P-C4'-P energy: -60.823 tors. eta vs tors. theta energy: -84.484 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: 8 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -1131.482268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.482268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.482268 (E_RNA) where: Base-Base interactions energy: -750.280 where: short stacking energy: -315.757 Base-Backbone interact. energy: -0.047 local terms energy: -381.155591 where: bonds (distance) C4'-P energy: -78.238 bonds (distance) P-C4' energy: -65.803 flat angles C4'-P-C4' energy: -84.984 flat angles P-C4'-P energy: -53.951 tors. eta vs tors. theta energy: -98.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -1010.741133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.741133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.741133 (E_RNA) where: Base-Base interactions energy: -678.251 where: short stacking energy: -290.676 Base-Backbone interact. energy: -1.572 local terms energy: -330.918104 where: bonds (distance) C4'-P energy: -67.172 bonds (distance) P-C4' energy: -86.693 flat angles C4'-P-C4' energy: -65.647 flat angles P-C4'-P energy: -47.628 tors. eta vs tors. theta energy: -63.779 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: 7, replica: 6 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -867.366496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.366496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.366496 (E_RNA) where: Base-Base interactions energy: -562.399 where: short stacking energy: -248.072 Base-Backbone interact. energy: 1.122 local terms energy: -306.089522 where: bonds (distance) C4'-P energy: -62.226 bonds (distance) P-C4' energy: -67.142 flat angles C4'-P-C4' energy: -71.398 flat angles P-C4'-P energy: -42.756 tors. eta vs tors. theta energy: -62.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -658.327216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.327216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.327216 (E_RNA) where: Base-Base interactions energy: -375.449 where: short stacking energy: -175.271 Base-Backbone interact. energy: -1.115 local terms energy: -281.763039 where: bonds (distance) C4'-P energy: -73.458 bonds (distance) P-C4' energy: -66.941 flat angles C4'-P-C4' energy: -60.624 flat angles P-C4'-P energy: -50.523 tors. eta vs tors. theta energy: -30.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -424.121588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.121588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.121588 (E_RNA) where: Base-Base interactions energy: -195.544 where: short stacking energy: -104.522 Base-Backbone interact. energy: -1.044 local terms energy: -227.534112 where: bonds (distance) C4'-P energy: -67.817 bonds (distance) P-C4' energy: -67.277 flat angles C4'-P-C4' energy: -64.598 flat angles P-C4'-P energy: -32.050 tors. eta vs tors. theta energy: 4.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -322.693575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.693575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.693575 (E_RNA) where: Base-Base interactions energy: -107.689 where: short stacking energy: -83.814 Base-Backbone interact. energy: -1.751 local terms energy: -213.254078 where: bonds (distance) C4'-P energy: -69.865 bonds (distance) P-C4' energy: -71.378 flat angles C4'-P-C4' energy: -54.164 flat angles P-C4'-P energy: -27.587 tors. eta vs tors. theta energy: 9.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -1400.290812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.290812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.290812 (E_RNA) where: Base-Base interactions energy: -975.146 where: short stacking energy: -416.214 Base-Backbone interact. energy: -2.636 local terms energy: -422.508766 where: bonds (distance) C4'-P energy: -86.217 bonds (distance) P-C4' energy: -81.615 flat angles C4'-P-C4' energy: -84.528 flat angles P-C4'-P energy: -57.856 tors. eta vs tors. theta energy: -112.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -1333.314907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.314907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.314907 (E_RNA) where: Base-Base interactions energy: -927.501 where: short stacking energy: -418.244 Base-Backbone interact. energy: -0.501 local terms energy: -405.313113 where: bonds (distance) C4'-P energy: -73.085 bonds (distance) P-C4' energy: -84.944 flat angles C4'-P-C4' energy: -79.845 flat angles P-C4'-P energy: -48.982 tors. eta vs tors. theta energy: -118.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -1264.466633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.466633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.466633 (E_RNA) where: Base-Base interactions energy: -862.660 where: short stacking energy: -375.877 Base-Backbone interact. energy: -2.653 local terms energy: -399.153889 where: bonds (distance) C4'-P energy: -72.967 bonds (distance) P-C4' energy: -74.661 flat angles C4'-P-C4' energy: -91.879 flat angles P-C4'-P energy: -50.173 tors. eta vs tors. theta energy: -109.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -1168.000886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.000886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.000886 (E_RNA) where: Base-Base interactions energy: -794.725 where: short stacking energy: -355.636 Base-Backbone interact. energy: -1.517 local terms energy: -371.758840 where: bonds (distance) C4'-P energy: -74.145 bonds (distance) P-C4' energy: -77.872 flat angles C4'-P-C4' energy: -80.523 flat angles P-C4'-P energy: -44.143 tors. eta vs tors. theta energy: -95.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -1130.280165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.280165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.280165 (E_RNA) where: Base-Base interactions energy: -742.258 where: short stacking energy: -305.665 Base-Backbone interact. energy: -0.819 local terms energy: -387.203510 where: bonds (distance) C4'-P energy: -70.418 bonds (distance) P-C4' energy: -80.904 flat angles C4'-P-C4' energy: -86.871 flat angles P-C4'-P energy: -56.422 tors. eta vs tors. theta energy: -92.588 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: 7 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -1013.251278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.251278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.251278 (E_RNA) where: Base-Base interactions energy: -656.704 where: short stacking energy: -304.121 Base-Backbone interact. energy: -0.701 local terms energy: -355.846026 where: bonds (distance) C4'-P energy: -72.160 bonds (distance) P-C4' energy: -67.726 flat angles C4'-P-C4' energy: -81.392 flat angles P-C4'-P energy: -48.720 tors. eta vs tors. theta energy: -85.848 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: 7, replica: 6 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -866.372893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.372893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.372893 (E_RNA) where: Base-Base interactions energy: -551.060 where: short stacking energy: -241.015 Base-Backbone interact. energy: -0.570 local terms energy: -314.742227 where: bonds (distance) C4'-P energy: -70.144 bonds (distance) P-C4' energy: -68.740 flat angles C4'-P-C4' energy: -74.575 flat angles P-C4'-P energy: -38.902 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: 8, replica: 2 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -674.826864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.826864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.826864 (E_RNA) where: Base-Base interactions energy: -388.878 where: short stacking energy: -202.200 Base-Backbone interact. energy: 0.928 local terms energy: -286.877094 where: bonds (distance) C4'-P energy: -68.093 bonds (distance) P-C4' energy: -69.027 flat angles C4'-P-C4' energy: -73.564 flat angles P-C4'-P energy: -33.672 tors. eta vs tors. theta energy: -42.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -441.378366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.378366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.378366 (E_RNA) where: Base-Base interactions energy: -199.659 where: short stacking energy: -117.859 Base-Backbone interact. energy: -0.901 local terms energy: -240.818643 where: bonds (distance) C4'-P energy: -73.859 bonds (distance) P-C4' energy: -77.714 flat angles C4'-P-C4' energy: -56.108 flat angles P-C4'-P energy: -26.576 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: 10 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -320.356100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.356100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.356100 (E_RNA) where: Base-Base interactions energy: -82.120 where: short stacking energy: -76.660 Base-Backbone interact. energy: -1.082 local terms energy: -237.153786 where: bonds (distance) C4'-P energy: -77.278 bonds (distance) P-C4' energy: -83.711 flat angles C4'-P-C4' energy: -45.524 flat angles P-C4'-P energy: -46.050 tors. eta vs tors. theta energy: 15.409 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: 273 Temperature: 0.900000 Total energy: -1386.929488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.929488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.929488 (E_RNA) where: Base-Base interactions energy: -937.851 where: short stacking energy: -397.753 Base-Backbone interact. energy: -4.876 local terms energy: -444.202723 where: bonds (distance) C4'-P energy: -82.054 bonds (distance) P-C4' energy: -88.297 flat angles C4'-P-C4' energy: -92.363 flat angles P-C4'-P energy: -64.432 tors. eta vs tors. theta energy: -117.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -1329.098365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.098365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.098365 (E_RNA) where: Base-Base interactions energy: -895.229 where: short stacking energy: -401.335 Base-Backbone interact. energy: 1.917 local terms energy: -435.786256 where: bonds (distance) C4'-P energy: -78.694 bonds (distance) P-C4' energy: -84.026 flat angles C4'-P-C4' energy: -93.877 flat angles P-C4'-P energy: -57.482 tors. eta vs tors. theta energy: -121.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -1286.967232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.967232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.967232 (E_RNA) where: Base-Base interactions energy: -877.938 where: short stacking energy: -390.745 Base-Backbone interact. energy: -1.675 local terms energy: -407.354237 where: bonds (distance) C4'-P energy: -69.190 bonds (distance) P-C4' energy: -76.110 flat angles C4'-P-C4' energy: -87.907 flat angles P-C4'-P energy: -55.555 tors. eta vs tors. theta energy: -118.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -1199.060151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.060151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.060151 (E_RNA) where: Base-Base interactions energy: -799.402 where: short stacking energy: -365.987 Base-Backbone interact. energy: 4.782 local terms energy: -404.439733 where: bonds (distance) C4'-P energy: -82.081 bonds (distance) P-C4' energy: -74.404 flat angles C4'-P-C4' energy: -81.647 flat angles P-C4'-P energy: -60.523 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: 5, replica: 9 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -1166.877850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.877850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.877850 (E_RNA) where: Base-Base interactions energy: -795.894 where: short stacking energy: -346.259 Base-Backbone interact. energy: 2.807 local terms energy: -373.790945 where: bonds (distance) C4'-P energy: -72.731 bonds (distance) P-C4' energy: -78.911 flat angles C4'-P-C4' energy: -72.722 flat angles P-C4'-P energy: -55.198 tors. eta vs tors. theta energy: -94.229 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: 6, replica: 7 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -1034.082780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.082780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.082780 (E_RNA) where: Base-Base interactions energy: -705.129 where: short stacking energy: -310.716 Base-Backbone interact. energy: 0.730 local terms energy: -329.683341 where: bonds (distance) C4'-P energy: -65.255 bonds (distance) P-C4' energy: -53.598 flat angles C4'-P-C4' energy: -81.062 flat angles P-C4'-P energy: -48.289 tors. eta vs tors. theta energy: -81.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -843.509101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.509101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.509101 (E_RNA) where: Base-Base interactions energy: -517.024 where: short stacking energy: -225.253 Base-Backbone interact. energy: 0.358 local terms energy: -326.843120 where: bonds (distance) C4'-P energy: -68.083 bonds (distance) P-C4' energy: -64.905 flat angles C4'-P-C4' energy: -82.219 flat angles P-C4'-P energy: -51.374 tors. eta vs tors. theta energy: -60.262 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: 2 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -725.606048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.606048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.606048 (E_RNA) where: Base-Base interactions energy: -404.821 where: short stacking energy: -216.367 Base-Backbone interact. energy: -0.767 local terms energy: -320.018288 where: bonds (distance) C4'-P energy: -67.715 bonds (distance) P-C4' energy: -76.183 flat angles C4'-P-C4' energy: -62.443 flat angles P-C4'-P energy: -55.325 tors. eta vs tors. theta energy: -58.353 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: 9, replica: 4 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -449.287944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.287944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.287944 (E_RNA) where: Base-Base interactions energy: -217.979 where: short stacking energy: -128.212 Base-Backbone interact. energy: -0.163 local terms energy: -231.145113 where: bonds (distance) C4'-P energy: -56.814 bonds (distance) P-C4' energy: -67.807 flat angles C4'-P-C4' energy: -67.736 flat angles P-C4'-P energy: -33.621 tors. eta vs tors. theta energy: -5.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -309.219316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.219316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.219316 (E_RNA) where: Base-Base interactions energy: -109.831 where: short stacking energy: -99.869 Base-Backbone interact. energy: -1.523 local terms energy: -197.864584 where: bonds (distance) C4'-P energy: -54.473 bonds (distance) P-C4' energy: -75.350 flat angles C4'-P-C4' energy: -48.869 flat angles P-C4'-P energy: -39.730 tors. eta vs tors. theta energy: 20.557 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: 1, replica: 3 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -1378.702161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.702161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.702161 (E_RNA) where: Base-Base interactions energy: -954.090 where: short stacking energy: -406.489 Base-Backbone interact. energy: -5.110 local terms energy: -419.501400 where: bonds (distance) C4'-P energy: -74.834 bonds (distance) P-C4' energy: -80.967 flat angles C4'-P-C4' energy: -83.636 flat angles P-C4'-P energy: -60.635 tors. eta vs tors. theta energy: -119.430 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: 5 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -1332.844235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.844235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.844235 (E_RNA) where: Base-Base interactions energy: -882.776 where: short stacking energy: -405.622 Base-Backbone interact. energy: -0.973 local terms energy: -449.095652 where: bonds (distance) C4'-P energy: -83.240 bonds (distance) P-C4' energy: -85.657 flat angles C4'-P-C4' energy: -94.168 flat angles P-C4'-P energy: -56.829 tors. eta vs tors. theta energy: -129.202 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: 1 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -1262.060394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.060394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.060394 (E_RNA) where: Base-Base interactions energy: -841.613 where: short stacking energy: -374.333 Base-Backbone interact. energy: -1.099 local terms energy: -419.348566 where: bonds (distance) C4'-P energy: -78.078 bonds (distance) P-C4' energy: -84.799 flat angles C4'-P-C4' energy: -91.242 flat angles P-C4'-P energy: -52.886 tors. eta vs tors. theta energy: -112.342 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: 8 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -1174.366571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.366571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.366571 (E_RNA) where: Base-Base interactions energy: -795.855 where: short stacking energy: -328.915 Base-Backbone interact. energy: -1.458 local terms energy: -377.053349 where: bonds (distance) C4'-P energy: -61.965 bonds (distance) P-C4' energy: -76.011 flat angles C4'-P-C4' energy: -88.331 flat angles P-C4'-P energy: -54.933 tors. eta vs tors. theta energy: -95.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -1185.151032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.151032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.151032 (E_RNA) where: Base-Base interactions energy: -818.867 where: short stacking energy: -325.196 Base-Backbone interact. energy: 0.405 local terms energy: -366.689000 where: bonds (distance) C4'-P energy: -73.288 bonds (distance) P-C4' energy: -70.302 flat angles C4'-P-C4' energy: -82.804 flat angles P-C4'-P energy: -46.043 tors. eta vs tors. theta energy: -94.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -991.994864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.994864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.994864 (E_RNA) where: Base-Base interactions energy: -641.632 where: short stacking energy: -275.088 Base-Backbone interact. energy: -1.819 local terms energy: -348.544029 where: bonds (distance) C4'-P energy: -71.483 bonds (distance) P-C4' energy: -70.637 flat angles C4'-P-C4' energy: -79.346 flat angles P-C4'-P energy: -54.921 tors. eta vs tors. theta energy: -72.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -842.582996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.582996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.582996 (E_RNA) where: Base-Base interactions energy: -532.668 where: short stacking energy: -240.173 Base-Backbone interact. energy: 3.455 local terms energy: -313.369722 where: bonds (distance) C4'-P energy: -82.956 bonds (distance) P-C4' energy: -71.413 flat angles C4'-P-C4' energy: -71.956 flat angles P-C4'-P energy: -34.366 tors. eta vs tors. theta energy: -52.678 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: 2 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -660.087436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.087436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.087436 (E_RNA) where: Base-Base interactions energy: -396.030 where: short stacking energy: -194.040 Base-Backbone interact. energy: -0.479 local terms energy: -263.578077 where: bonds (distance) C4'-P energy: -62.503 bonds (distance) P-C4' energy: -63.624 flat angles C4'-P-C4' energy: -66.167 flat angles P-C4'-P energy: -45.233 tors. eta vs tors. theta energy: -26.051 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: 4 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -472.074562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.074562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.074562 (E_RNA) where: Base-Base interactions energy: -248.472 where: short stacking energy: -153.603 Base-Backbone interact. energy: -0.932 local terms energy: -222.670881 where: bonds (distance) C4'-P energy: -59.895 bonds (distance) P-C4' energy: -72.579 flat angles C4'-P-C4' energy: -56.941 flat angles P-C4'-P energy: -23.307 tors. eta vs tors. theta energy: -9.950 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: 10 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -325.108407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.108407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.108407 (E_RNA) where: Base-Base interactions energy: -96.661 where: short stacking energy: -92.110 Base-Backbone interact. energy: 3.882 local terms energy: -232.329404 where: bonds (distance) C4'-P energy: -71.715 bonds (distance) P-C4' energy: -74.114 flat angles C4'-P-C4' energy: -50.911 flat angles P-C4'-P energy: -40.071 tors. eta vs tors. theta energy: 4.482 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: 3 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -1383.253408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.253408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.253408 (E_RNA) where: Base-Base interactions energy: -957.687 where: short stacking energy: -388.713 Base-Backbone interact. energy: -3.937 local terms energy: -421.628631 where: bonds (distance) C4'-P energy: -75.617 bonds (distance) P-C4' energy: -86.401 flat angles C4'-P-C4' energy: -90.949 flat angles P-C4'-P energy: -58.345 tors. eta vs tors. theta energy: -110.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -1321.681275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.681275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.681275 (E_RNA) where: Base-Base interactions energy: -875.445 where: short stacking energy: -389.737 Base-Backbone interact. energy: -0.323 local terms energy: -445.913321 where: bonds (distance) C4'-P energy: -76.529 bonds (distance) P-C4' energy: -91.386 flat angles C4'-P-C4' energy: -93.792 flat angles P-C4'-P energy: -58.625 tors. eta vs tors. theta energy: -125.581 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: 1 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -1248.023897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.023897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.023897 (E_RNA) where: Base-Base interactions energy: -823.327 where: short stacking energy: -374.205 Base-Backbone interact. energy: -2.505 local terms energy: -422.191979 where: bonds (distance) C4'-P energy: -83.195 bonds (distance) P-C4' energy: -78.213 flat angles C4'-P-C4' energy: -88.974 flat angles P-C4'-P energy: -55.471 tors. eta vs tors. theta energy: -116.340 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: 4, replica: 8 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -1166.571543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.571543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.571543 (E_RNA) where: Base-Base interactions energy: -774.643 where: short stacking energy: -341.334 Base-Backbone interact. energy: 0.750 local terms energy: -392.678867 where: bonds (distance) C4'-P energy: -75.231 bonds (distance) P-C4' energy: -71.665 flat angles C4'-P-C4' energy: -86.197 flat angles P-C4'-P energy: -60.519 tors. eta vs tors. theta energy: -99.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -1153.207027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.207027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.207027 (E_RNA) where: Base-Base interactions energy: -799.676 where: short stacking energy: -339.458 Base-Backbone interact. energy: -2.707 local terms energy: -350.823921 where: bonds (distance) C4'-P energy: -65.884 bonds (distance) P-C4' energy: -65.738 flat angles C4'-P-C4' energy: -66.037 flat angles P-C4'-P energy: -50.974 tors. eta vs tors. theta energy: -102.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -979.700619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.700619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.700619 (E_RNA) where: Base-Base interactions energy: -637.345 where: short stacking energy: -260.701 Base-Backbone interact. energy: -0.554 local terms energy: -341.801619 where: bonds (distance) C4'-P energy: -63.881 bonds (distance) P-C4' energy: -78.130 flat angles C4'-P-C4' energy: -80.067 flat angles P-C4'-P energy: -55.195 tors. eta vs tors. theta energy: -64.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -935.069862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.069862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.069862 (E_RNA) where: Base-Base interactions energy: -600.533 where: short stacking energy: -269.006 Base-Backbone interact. energy: 2.010 local terms energy: -336.547144 where: bonds (distance) C4'-P energy: -72.700 bonds (distance) P-C4' energy: -70.964 flat angles C4'-P-C4' energy: -79.396 flat angles P-C4'-P energy: -42.912 tors. eta vs tors. theta energy: -70.575 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: 2 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -689.472359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.472359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.472359 (E_RNA) where: Base-Base interactions energy: -402.773 where: short stacking energy: -198.688 Base-Backbone interact. energy: 0.375 local terms energy: -287.074173 where: bonds (distance) C4'-P energy: -72.666 bonds (distance) P-C4' energy: -66.925 flat angles C4'-P-C4' energy: -75.984 flat angles P-C4'-P energy: -41.957 tors. eta vs tors. theta energy: -29.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -433.872712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.872712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.872712 (E_RNA) where: Base-Base interactions energy: -204.650 where: short stacking energy: -99.633 Base-Backbone interact. energy: 4.115 local terms energy: -233.338075 where: bonds (distance) C4'-P energy: -57.695 bonds (distance) P-C4' energy: -77.251 flat angles C4'-P-C4' energy: -55.336 flat angles P-C4'-P energy: -44.870 tors. eta vs tors. theta energy: 1.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -308.262675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.262675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.262675 (E_RNA) where: Base-Base interactions energy: -96.832 where: short stacking energy: -82.046 Base-Backbone interact. energy: -0.107 local terms energy: -211.323702 where: bonds (distance) C4'-P energy: -60.988 bonds (distance) P-C4' energy: -65.394 flat angles C4'-P-C4' energy: -50.838 flat angles P-C4'-P energy: -39.881 tors. eta vs tors. theta energy: 5.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -1407.345735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.345735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.345735 (E_RNA) where: Base-Base interactions energy: -961.068 where: short stacking energy: -403.565 Base-Backbone interact. energy: -1.665 local terms energy: -444.613130 where: bonds (distance) C4'-P energy: -95.144 bonds (distance) P-C4' energy: -77.467 flat angles C4'-P-C4' energy: -97.632 flat angles P-C4'-P energy: -48.942 tors. eta vs tors. theta energy: -125.427 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: 2, replica: 5 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -1342.863334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.863334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.863334 (E_RNA) where: Base-Base interactions energy: -909.381 where: short stacking energy: -411.906 Base-Backbone interact. energy: -0.931 local terms energy: -432.550511 where: bonds (distance) C4'-P energy: -79.840 bonds (distance) P-C4' energy: -81.566 flat angles C4'-P-C4' energy: -89.812 flat angles P-C4'-P energy: -55.030 tors. eta vs tors. theta energy: -126.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -1263.650650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.650650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.650650 (E_RNA) where: Base-Base interactions energy: -859.144 where: short stacking energy: -367.961 Base-Backbone interact. energy: -1.247 local terms energy: -403.259966 where: bonds (distance) C4'-P energy: -65.744 bonds (distance) P-C4' energy: -83.686 flat angles C4'-P-C4' energy: -84.702 flat angles P-C4'-P energy: -54.979 tors. eta vs tors. theta energy: -114.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -1191.068639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.068639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.068639 (E_RNA) where: Base-Base interactions energy: -814.226 where: short stacking energy: -318.372 Base-Backbone interact. energy: 2.252 local terms energy: -379.095172 where: bonds (distance) C4'-P energy: -69.898 bonds (distance) P-C4' energy: -79.067 flat angles C4'-P-C4' energy: -84.218 flat angles P-C4'-P energy: -48.735 tors. eta vs tors. theta energy: -97.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -1160.769563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.769563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.769563 (E_RNA) where: Base-Base interactions energy: -764.256 where: short stacking energy: -351.196 Base-Backbone interact. energy: 0.046 local terms energy: -396.559930 where: bonds (distance) C4'-P energy: -73.275 bonds (distance) P-C4' energy: -74.608 flat angles C4'-P-C4' energy: -87.787 flat angles P-C4'-P energy: -58.203 tors. eta vs tors. theta energy: -102.688 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: 6, replica: 7 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -1042.875541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.875541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.875541 (E_RNA) where: Base-Base interactions energy: -682.300 where: short stacking energy: -284.765 Base-Backbone interact. energy: -0.917 local terms energy: -359.658993 where: bonds (distance) C4'-P energy: -71.261 bonds (distance) P-C4' energy: -86.949 flat angles C4'-P-C4' energy: -74.524 flat angles P-C4'-P energy: -43.576 tors. eta vs tors. theta energy: -83.349 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: 6 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -937.818130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.818130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.818130 (E_RNA) where: Base-Base interactions energy: -619.349 where: short stacking energy: -264.917 Base-Backbone interact. energy: -1.098 local terms energy: -317.371019 where: bonds (distance) C4'-P energy: -64.267 bonds (distance) P-C4' energy: -75.805 flat angles C4'-P-C4' energy: -69.247 flat angles P-C4'-P energy: -41.820 tors. eta vs tors. theta energy: -66.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -678.887011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.887011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.887011 (E_RNA) where: Base-Base interactions energy: -408.676 where: short stacking energy: -203.526 Base-Backbone interact. energy: -1.072 local terms energy: -269.138399 where: bonds (distance) C4'-P energy: -55.473 bonds (distance) P-C4' energy: -68.047 flat angles C4'-P-C4' energy: -73.870 flat angles P-C4'-P energy: -36.985 tors. eta vs tors. theta energy: -34.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -398.986869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.986869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.986869 (E_RNA) where: Base-Base interactions energy: -182.136 where: short stacking energy: -145.391 Base-Backbone interact. energy: -1.525 local terms energy: -215.325923 where: bonds (distance) C4'-P energy: -37.356 bonds (distance) P-C4' energy: -79.909 flat angles C4'-P-C4' energy: -57.496 flat angles P-C4'-P energy: -42.457 tors. eta vs tors. theta energy: 1.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -328.300370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.300370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.300370 (E_RNA) where: Base-Base interactions energy: -107.156 where: short stacking energy: -103.101 Base-Backbone interact. energy: 5.073 local terms energy: -226.216382 where: bonds (distance) C4'-P energy: -53.724 bonds (distance) P-C4' energy: -88.929 flat angles C4'-P-C4' energy: -67.718 flat angles P-C4'-P energy: -19.155 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: 1, replica: 3 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -1397.369310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.369310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.369310 (E_RNA) where: Base-Base interactions energy: -967.674 where: short stacking energy: -399.095 Base-Backbone interact. energy: -0.521 local terms energy: -429.174741 where: bonds (distance) C4'-P energy: -73.294 bonds (distance) P-C4' energy: -81.743 flat angles C4'-P-C4' energy: -88.858 flat angles P-C4'-P energy: -63.537 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: 5 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -1326.149120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.149120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.149120 (E_RNA) where: Base-Base interactions energy: -893.997 where: short stacking energy: -405.956 Base-Backbone interact. energy: -0.089 local terms energy: -432.062543 where: bonds (distance) C4'-P energy: -88.224 bonds (distance) P-C4' energy: -73.955 flat angles C4'-P-C4' energy: -95.634 flat angles P-C4'-P energy: -56.393 tors. eta vs tors. theta energy: -117.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -1240.855291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.855291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.855291 (E_RNA) where: Base-Base interactions energy: -857.279 where: short stacking energy: -390.968 Base-Backbone interact. energy: 0.035 local terms energy: -383.611123 where: bonds (distance) C4'-P energy: -68.753 bonds (distance) P-C4' energy: -73.937 flat angles C4'-P-C4' energy: -84.685 flat angles P-C4'-P energy: -49.004 tors. eta vs tors. theta energy: -107.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -1216.146100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.146100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.146100 (E_RNA) where: Base-Base interactions energy: -815.469 where: short stacking energy: -372.390 Base-Backbone interact. energy: -1.617 local terms energy: -399.059929 where: bonds (distance) C4'-P energy: -72.796 bonds (distance) P-C4' energy: -78.251 flat angles C4'-P-C4' energy: -77.868 flat angles P-C4'-P energy: -53.206 tors. eta vs tors. theta energy: -116.939 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: 8 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -1194.169265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.169265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.169265 (E_RNA) where: Base-Base interactions energy: -805.703 where: short stacking energy: -356.639 Base-Backbone interact. energy: -1.894 local terms energy: -386.572128 where: bonds (distance) C4'-P energy: -82.886 bonds (distance) P-C4' energy: -73.430 flat angles C4'-P-C4' energy: -75.881 flat angles P-C4'-P energy: -49.660 tors. eta vs tors. theta energy: -104.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -1008.127791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.127791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.127791 (E_RNA) where: Base-Base interactions energy: -673.297 where: short stacking energy: -283.669 Base-Backbone interact. energy: -0.434 local terms energy: -334.396172 where: bonds (distance) C4'-P energy: -69.959 bonds (distance) P-C4' energy: -73.795 flat angles C4'-P-C4' energy: -77.266 flat angles P-C4'-P energy: -40.109 tors. eta vs tors. theta energy: -73.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -939.787452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.787452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.787452 (E_RNA) where: Base-Base interactions energy: -621.521 where: short stacking energy: -270.940 Base-Backbone interact. energy: -2.503 local terms energy: -315.763933 where: bonds (distance) C4'-P energy: -54.842 bonds (distance) P-C4' energy: -70.718 flat angles C4'-P-C4' energy: -75.395 flat angles P-C4'-P energy: -46.238 tors. eta vs tors. theta energy: -68.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -694.970044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.970044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.970044 (E_RNA) where: Base-Base interactions energy: -439.291 where: short stacking energy: -202.616 Base-Backbone interact. energy: 1.993 local terms energy: -257.672382 where: bonds (distance) C4'-P energy: -57.487 bonds (distance) P-C4' energy: -64.928 flat angles C4'-P-C4' energy: -65.366 flat angles P-C4'-P energy: -32.471 tors. eta vs tors. theta energy: -37.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -377.873309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.873309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.873309 (E_RNA) where: Base-Base interactions energy: -148.790 where: short stacking energy: -115.011 Base-Backbone interact. energy: 2.256 local terms energy: -231.339486 where: bonds (distance) C4'-P energy: -67.086 bonds (distance) P-C4' energy: -73.649 flat angles C4'-P-C4' energy: -68.550 flat angles P-C4'-P energy: -40.526 tors. eta vs tors. theta energy: 18.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -323.898468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.898468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.898468 (E_RNA) where: Base-Base interactions energy: -118.003 where: short stacking energy: -79.915 Base-Backbone interact. energy: -0.013 local terms energy: -205.882445 where: bonds (distance) C4'-P energy: -66.420 bonds (distance) P-C4' energy: -70.161 flat angles C4'-P-C4' energy: -68.417 flat angles P-C4'-P energy: -21.738 tors. eta vs tors. theta energy: 20.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -1385.218083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.218083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.218083 (E_RNA) where: Base-Base interactions energy: -965.988 where: short stacking energy: -396.357 Base-Backbone interact. energy: -1.140 local terms energy: -418.089765 where: bonds (distance) C4'-P energy: -81.848 bonds (distance) P-C4' energy: -86.341 flat angles C4'-P-C4' energy: -81.859 flat angles P-C4'-P energy: -57.558 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: 2, replica: 5 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -1314.603431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.603431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.603431 (E_RNA) where: Base-Base interactions energy: -886.520 where: short stacking energy: -388.949 Base-Backbone interact. energy: -1.624 local terms energy: -426.460124 where: bonds (distance) C4'-P energy: -67.372 bonds (distance) P-C4' energy: -81.406 flat angles C4'-P-C4' energy: -97.357 flat angles P-C4'-P energy: -62.360 tors. eta vs tors. theta energy: -117.966 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: 1 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -1239.360697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.360697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.360697 (E_RNA) where: Base-Base interactions energy: -826.012 where: short stacking energy: -364.427 Base-Backbone interact. energy: -1.809 local terms energy: -411.539696 where: bonds (distance) C4'-P energy: -82.301 bonds (distance) P-C4' energy: -75.017 flat angles C4'-P-C4' energy: -80.035 flat angles P-C4'-P energy: -67.817 tors. eta vs tors. theta energy: -106.370 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: 9 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -1210.945914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.945914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.945914 (E_RNA) where: Base-Base interactions energy: -810.334 where: short stacking energy: -349.850 Base-Backbone interact. energy: -3.537 local terms energy: -397.074324 where: bonds (distance) C4'-P energy: -68.474 bonds (distance) P-C4' energy: -83.834 flat angles C4'-P-C4' energy: -92.170 flat angles P-C4'-P energy: -46.225 tors. eta vs tors. theta energy: -106.372 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: 278 Temperature: 1.100000 Total energy: -1184.696257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.696257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.696257 (E_RNA) where: Base-Base interactions energy: -803.077 where: short stacking energy: -329.068 Base-Backbone interact. energy: -3.021 local terms energy: -378.598285 where: bonds (distance) C4'-P energy: -77.992 bonds (distance) P-C4' energy: -76.523 flat angles C4'-P-C4' energy: -79.146 flat angles P-C4'-P energy: -46.406 tors. eta vs tors. theta energy: -98.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -989.776428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.776428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.776428 (E_RNA) where: Base-Base interactions energy: -658.444 where: short stacking energy: -285.424 Base-Backbone interact. energy: -1.226 local terms energy: -330.106600 where: bonds (distance) C4'-P energy: -60.809 bonds (distance) P-C4' energy: -66.008 flat angles C4'-P-C4' energy: -79.660 flat angles P-C4'-P energy: -53.562 tors. eta vs tors. theta energy: -70.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -908.415358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.415358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.415358 (E_RNA) where: Base-Base interactions energy: -583.247 where: short stacking energy: -244.757 Base-Backbone interact. energy: 0.496 local terms energy: -325.664954 where: bonds (distance) C4'-P energy: -68.755 bonds (distance) P-C4' energy: -59.908 flat angles C4'-P-C4' energy: -77.923 flat angles P-C4'-P energy: -50.212 tors. eta vs tors. theta energy: -68.866 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: 2 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -647.879328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.879328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.879328 (E_RNA) where: Base-Base interactions energy: -347.746 where: short stacking energy: -181.659 Base-Backbone interact. energy: -0.786 local terms energy: -299.347494 where: bonds (distance) C4'-P energy: -77.349 bonds (distance) P-C4' energy: -67.871 flat angles C4'-P-C4' energy: -69.689 flat angles P-C4'-P energy: -46.093 tors. eta vs tors. theta energy: -38.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -373.845275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.845275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.845275 (E_RNA) where: Base-Base interactions energy: -147.645 where: short stacking energy: -124.759 Base-Backbone interact. energy: -1.125 local terms energy: -225.075735 where: bonds (distance) C4'-P energy: -61.477 bonds (distance) P-C4' energy: -67.762 flat angles C4'-P-C4' energy: -56.856 flat angles P-C4'-P energy: -37.560 tors. eta vs tors. theta energy: -1.422 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: 10, replica: 10 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -366.227427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.227427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.227427 (E_RNA) where: Base-Base interactions energy: -149.507 where: short stacking energy: -125.059 Base-Backbone interact. energy: -0.559 local terms energy: -216.162009 where: bonds (distance) C4'-P energy: -64.620 bonds (distance) P-C4' energy: -59.680 flat angles C4'-P-C4' energy: -56.707 flat angles P-C4'-P energy: -40.446 tors. eta vs tors. theta energy: 5.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -1350.184824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.184824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.184824 (E_RNA) where: Base-Base interactions energy: -912.051 where: short stacking energy: -381.047 Base-Backbone interact. energy: -1.657 local terms energy: -436.476329 where: bonds (distance) C4'-P energy: -80.374 bonds (distance) P-C4' energy: -91.127 flat angles C4'-P-C4' energy: -80.135 flat angles P-C4'-P energy: -68.094 tors. eta vs tors. theta energy: -116.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -1325.005049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.005049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.005049 (E_RNA) where: Base-Base interactions energy: -881.891 where: short stacking energy: -370.740 Base-Backbone interact. energy: -1.439 local terms energy: -441.675049 where: bonds (distance) C4'-P energy: -70.936 bonds (distance) P-C4' energy: -79.117 flat angles C4'-P-C4' energy: -97.534 flat angles P-C4'-P energy: -63.953 tors. eta vs tors. theta energy: -130.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -1262.399500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.399500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.399500 (E_RNA) where: Base-Base interactions energy: -848.588 where: short stacking energy: -372.109 Base-Backbone interact. energy: -1.281 local terms energy: -412.530345 where: bonds (distance) C4'-P energy: -77.715 bonds (distance) P-C4' energy: -73.785 flat angles C4'-P-C4' energy: -96.721 flat angles P-C4'-P energy: -55.574 tors. eta vs tors. theta energy: -108.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -1201.371728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.371728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.371728 (E_RNA) where: Base-Base interactions energy: -813.015 where: short stacking energy: -332.582 Base-Backbone interact. energy: -2.240 local terms energy: -386.116569 where: bonds (distance) C4'-P energy: -84.078 bonds (distance) P-C4' energy: -61.015 flat angles C4'-P-C4' energy: -78.037 flat angles P-C4'-P energy: -67.028 tors. eta vs tors. theta energy: -95.959 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: 5, replica: 8 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -1172.632007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.632007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.632007 (E_RNA) where: Base-Base interactions energy: -786.388 where: short stacking energy: -336.871 Base-Backbone interact. energy: -2.125 local terms energy: -384.118221 where: bonds (distance) C4'-P energy: -78.079 bonds (distance) P-C4' energy: -75.084 flat angles C4'-P-C4' energy: -74.883 flat angles P-C4'-P energy: -51.928 tors. eta vs tors. theta energy: -104.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -970.019751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.019751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.019751 (E_RNA) where: Base-Base interactions energy: -616.246 where: short stacking energy: -292.887 Base-Backbone interact. energy: 0.989 local terms energy: -354.762155 where: bonds (distance) C4'-P energy: -68.517 bonds (distance) P-C4' energy: -71.415 flat angles C4'-P-C4' energy: -89.117 flat angles P-C4'-P energy: -47.600 tors. eta vs tors. theta energy: -78.113 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: 7 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -961.225643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.225643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.225643 (E_RNA) where: Base-Base interactions energy: -642.696 where: short stacking energy: -260.864 Base-Backbone interact. energy: -0.311 local terms energy: -318.218925 where: bonds (distance) C4'-P energy: -65.308 bonds (distance) P-C4' energy: -72.040 flat angles C4'-P-C4' energy: -76.735 flat angles P-C4'-P energy: -35.324 tors. eta vs tors. theta energy: -68.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -637.118543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.118543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.118543 (E_RNA) where: Base-Base interactions energy: -377.281 where: short stacking energy: -201.742 Base-Backbone interact. energy: -1.316 local terms energy: -258.522041 where: bonds (distance) C4'-P energy: -60.628 bonds (distance) P-C4' energy: -60.660 flat angles C4'-P-C4' energy: -65.569 flat angles P-C4'-P energy: -34.136 tors. eta vs tors. theta energy: -37.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -355.370427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.370427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.370427 (E_RNA) where: Base-Base interactions energy: -129.036 where: short stacking energy: -97.150 Base-Backbone interact. energy: -1.019 local terms energy: -225.315360 where: bonds (distance) C4'-P energy: -68.244 bonds (distance) P-C4' energy: -63.794 flat angles C4'-P-C4' energy: -58.228 flat angles P-C4'-P energy: -49.724 tors. eta vs tors. theta energy: 14.675 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: 10, replica: 10 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -329.799419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.799419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.799419 (E_RNA) where: Base-Base interactions energy: -123.164 where: short stacking energy: -124.095 Base-Backbone interact. energy: -0.546 local terms energy: -206.089551 where: bonds (distance) C4'-P energy: -61.939 bonds (distance) P-C4' energy: -58.739 flat angles C4'-P-C4' energy: -61.056 flat angles P-C4'-P energy: -28.247 tors. eta vs tors. theta energy: 3.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -1353.535564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.535564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.535564 (E_RNA) where: Base-Base interactions energy: -938.719 where: short stacking energy: -390.289 Base-Backbone interact. energy: -2.256 local terms energy: -412.560530 where: bonds (distance) C4'-P energy: -67.254 bonds (distance) P-C4' energy: -74.849 flat angles C4'-P-C4' energy: -91.371 flat angles P-C4'-P energy: -68.231 tors. eta vs tors. theta energy: -110.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -1336.534370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.534370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.534370 (E_RNA) where: Base-Base interactions energy: -881.568 where: short stacking energy: -409.407 Base-Backbone interact. energy: -4.242 local terms energy: -450.724527 where: bonds (distance) C4'-P energy: -82.482 bonds (distance) P-C4' energy: -83.304 flat angles C4'-P-C4' energy: -94.210 flat angles P-C4'-P energy: -62.014 tors. eta vs tors. theta energy: -128.715 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: 1 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -1245.117610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.117610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.117610 (E_RNA) where: Base-Base interactions energy: -846.320 where: short stacking energy: -380.519 Base-Backbone interact. energy: -2.369 local terms energy: -396.428388 where: bonds (distance) C4'-P energy: -62.837 bonds (distance) P-C4' energy: -76.223 flat angles C4'-P-C4' energy: -92.072 flat angles P-C4'-P energy: -53.777 tors. eta vs tors. theta energy: -111.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -1198.915010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.915010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.915010 (E_RNA) where: Base-Base interactions energy: -795.394 where: short stacking energy: -332.533 Base-Backbone interact. energy: -1.590 local terms energy: -401.930407 where: bonds (distance) C4'-P energy: -80.744 bonds (distance) P-C4' energy: -80.684 flat angles C4'-P-C4' energy: -88.351 flat angles P-C4'-P energy: -51.417 tors. eta vs tors. theta energy: -100.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -1150.301843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.301843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.301843 (E_RNA) where: Base-Base interactions energy: -766.798 where: short stacking energy: -329.260 Base-Backbone interact. energy: -1.921 local terms energy: -381.582767 where: bonds (distance) C4'-P energy: -72.201 bonds (distance) P-C4' energy: -79.733 flat angles C4'-P-C4' energy: -93.779 flat angles P-C4'-P energy: -47.559 tors. eta vs tors. theta energy: -88.311 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: 280 Temperature: 1.150000 Total energy: -930.801895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.801895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.801895 (E_RNA) where: Base-Base interactions energy: -589.364 where: short stacking energy: -271.275 Base-Backbone interact. energy: 0.844 local terms energy: -342.281718 where: bonds (distance) C4'-P energy: -61.990 bonds (distance) P-C4' energy: -84.700 flat angles C4'-P-C4' energy: -70.493 flat angles P-C4'-P energy: -56.683 tors. eta vs tors. theta energy: -68.415 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: 7 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -955.116575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.116575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.116575 (E_RNA) where: Base-Base interactions energy: -613.455 where: short stacking energy: -253.156 Base-Backbone interact. energy: -1.333 local terms energy: -340.329268 where: bonds (distance) C4'-P energy: -64.632 bonds (distance) P-C4' energy: -70.339 flat angles C4'-P-C4' energy: -78.854 flat angles P-C4'-P energy: -57.662 tors. eta vs tors. theta energy: -68.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -689.950761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.950761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.950761 (E_RNA) where: Base-Base interactions energy: -419.013 where: short stacking energy: -196.009 Base-Backbone interact. energy: 2.014 local terms energy: -272.952103 where: bonds (distance) C4'-P energy: -55.374 bonds (distance) P-C4' energy: -64.932 flat angles C4'-P-C4' energy: -62.703 flat angles P-C4'-P energy: -54.792 tors. eta vs tors. theta energy: -35.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -356.266280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.266280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.266280 (E_RNA) where: Base-Base interactions energy: -114.491 where: short stacking energy: -99.496 Base-Backbone interact. energy: 1.343 local terms energy: -243.118219 where: bonds (distance) C4'-P energy: -63.733 bonds (distance) P-C4' energy: -63.142 flat angles C4'-P-C4' energy: -68.401 flat angles P-C4'-P energy: -51.261 tors. eta vs tors. theta energy: 3.419 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: 4 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -334.635893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.635893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.635893 (E_RNA) where: Base-Base interactions energy: -117.661 where: short stacking energy: -107.749 Base-Backbone interact. energy: 4.352 local terms energy: -221.327364 where: bonds (distance) C4'-P energy: -61.986 bonds (distance) P-C4' energy: -68.887 flat angles C4'-P-C4' energy: -59.294 flat angles P-C4'-P energy: -44.980 tors. eta vs tors. theta energy: 13.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -1362.187649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.187649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.187649 (E_RNA) where: Base-Base interactions energy: -958.793 where: short stacking energy: -403.411 Base-Backbone interact. energy: 2.641 local terms energy: -406.035743 where: bonds (distance) C4'-P energy: -79.162 bonds (distance) P-C4' energy: -75.439 flat angles C4'-P-C4' energy: -87.239 flat angles P-C4'-P energy: -51.900 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: 2, replica: 5 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -1337.134724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.134724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.134724 (E_RNA) where: Base-Base interactions energy: -907.012 where: short stacking energy: -405.208 Base-Backbone interact. energy: -0.967 local terms energy: -429.156529 where: bonds (distance) C4'-P energy: -75.806 bonds (distance) P-C4' energy: -81.124 flat angles C4'-P-C4' energy: -84.968 flat angles P-C4'-P energy: -64.570 tors. eta vs tors. theta energy: -122.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -1293.419082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.419082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.419082 (E_RNA) where: Base-Base interactions energy: -884.152 where: short stacking energy: -355.536 Base-Backbone interact. energy: 1.003 local terms energy: -410.270182 where: bonds (distance) C4'-P energy: -81.168 bonds (distance) P-C4' energy: -82.353 flat angles C4'-P-C4' energy: -81.030 flat angles P-C4'-P energy: -53.092 tors. eta vs tors. theta energy: -112.627 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: 8 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -1148.261816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.261816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.261816 (E_RNA) where: Base-Base interactions energy: -747.796 where: short stacking energy: -335.021 Base-Backbone interact. energy: -0.231 local terms energy: -400.234740 where: bonds (distance) C4'-P energy: -77.500 bonds (distance) P-C4' energy: -80.553 flat angles C4'-P-C4' energy: -89.585 flat angles P-C4'-P energy: -54.646 tors. eta vs tors. theta energy: -97.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -1165.278474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.278474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.278474 (E_RNA) where: Base-Base interactions energy: -782.087 where: short stacking energy: -310.858 Base-Backbone interact. energy: -3.166 local terms energy: -380.025378 where: bonds (distance) C4'-P energy: -70.162 bonds (distance) P-C4' energy: -70.658 flat angles C4'-P-C4' energy: -88.912 flat angles P-C4'-P energy: -55.551 tors. eta vs tors. theta energy: -94.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -963.403656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.403656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.403656 (E_RNA) where: Base-Base interactions energy: -622.156 where: short stacking energy: -290.232 Base-Backbone interact. energy: -1.029 local terms energy: -340.218728 where: bonds (distance) C4'-P energy: -72.150 bonds (distance) P-C4' energy: -52.697 flat angles C4'-P-C4' energy: -79.531 flat angles P-C4'-P energy: -54.434 tors. eta vs tors. theta energy: -81.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -960.527074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.527074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.527074 (E_RNA) where: Base-Base interactions energy: -644.485 where: short stacking energy: -283.243 Base-Backbone interact. energy: -1.123 local terms energy: -314.918521 where: bonds (distance) C4'-P energy: -59.580 bonds (distance) P-C4' energy: -63.639 flat angles C4'-P-C4' energy: -78.125 flat angles P-C4'-P energy: -44.732 tors. eta vs tors. theta energy: -68.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -684.335181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.335181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.335181 (E_RNA) where: Base-Base interactions energy: -390.621 where: short stacking energy: -210.669 Base-Backbone interact. energy: -0.219 local terms energy: -293.495126 where: bonds (distance) C4'-P energy: -69.460 bonds (distance) P-C4' energy: -74.329 flat angles C4'-P-C4' energy: -65.664 flat angles P-C4'-P energy: -43.335 tors. eta vs tors. theta energy: -40.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -386.478741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.478741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.478741 (E_RNA) where: Base-Base interactions energy: -147.744 where: short stacking energy: -127.706 Base-Backbone interact. energy: -0.750 local terms energy: -237.985482 where: bonds (distance) C4'-P energy: -79.344 bonds (distance) P-C4' energy: -62.532 flat angles C4'-P-C4' energy: -68.134 flat angles P-C4'-P energy: -21.494 tors. eta vs tors. theta energy: -6.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -328.296113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.296113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.296113 (E_RNA) where: Base-Base interactions energy: -115.513 where: short stacking energy: -82.132 Base-Backbone interact. energy: 0.622 local terms energy: -213.405193 where: bonds (distance) C4'-P energy: -61.266 bonds (distance) P-C4' energy: -72.386 flat angles C4'-P-C4' energy: -74.139 flat angles P-C4'-P energy: -22.854 tors. eta vs tors. theta energy: 17.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -1383.087816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.087816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.087816 (E_RNA) where: Base-Base interactions energy: -943.507 where: short stacking energy: -412.367 Base-Backbone interact. energy: -2.670 local terms energy: -436.910594 where: bonds (distance) C4'-P energy: -85.740 bonds (distance) P-C4' energy: -80.834 flat angles C4'-P-C4' energy: -92.995 flat angles P-C4'-P energy: -67.689 tors. eta vs tors. theta energy: -109.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -1307.752017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.752017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.752017 (E_RNA) where: Base-Base interactions energy: -878.690 where: short stacking energy: -396.289 Base-Backbone interact. energy: 0.059 local terms energy: -429.120787 where: bonds (distance) C4'-P energy: -77.062 bonds (distance) P-C4' energy: -83.830 flat angles C4'-P-C4' energy: -82.860 flat angles P-C4'-P energy: -61.283 tors. eta vs tors. theta energy: -124.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -1260.264159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.264159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.264159 (E_RNA) where: Base-Base interactions energy: -846.626 where: short stacking energy: -361.416 Base-Backbone interact. energy: -1.072 local terms energy: -412.565894 where: bonds (distance) C4'-P energy: -80.477 bonds (distance) P-C4' energy: -73.613 flat angles C4'-P-C4' energy: -89.057 flat angles P-C4'-P energy: -58.451 tors. eta vs tors. theta energy: -110.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -1211.598841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.598841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.598841 (E_RNA) where: Base-Base interactions energy: -802.079 where: short stacking energy: -370.849 Base-Backbone interact. energy: -1.443 local terms energy: -408.077019 where: bonds (distance) C4'-P energy: -85.943 bonds (distance) P-C4' energy: -71.608 flat angles C4'-P-C4' energy: -85.533 flat angles P-C4'-P energy: -55.619 tors. eta vs tors. theta energy: -109.374 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: 9 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -1125.729890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.729890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.729890 (E_RNA) where: Base-Base interactions energy: -750.895 where: short stacking energy: -328.654 Base-Backbone interact. energy: 0.466 local terms energy: -375.300885 where: bonds (distance) C4'-P energy: -62.904 bonds (distance) P-C4' energy: -71.576 flat angles C4'-P-C4' energy: -86.351 flat angles P-C4'-P energy: -55.257 tors. eta vs tors. theta energy: -99.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -982.983579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.983579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.983579 (E_RNA) where: Base-Base interactions energy: -624.720 where: short stacking energy: -275.207 Base-Backbone interact. energy: -0.434 local terms energy: -357.828831 where: bonds (distance) C4'-P energy: -70.996 bonds (distance) P-C4' energy: -78.205 flat angles C4'-P-C4' energy: -86.047 flat angles P-C4'-P energy: -49.313 tors. eta vs tors. theta energy: -73.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -994.612660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.612660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.612660 (E_RNA) where: Base-Base interactions energy: -662.081 where: short stacking energy: -287.300 Base-Backbone interact. energy: -0.680 local terms energy: -331.852076 where: bonds (distance) C4'-P energy: -60.538 bonds (distance) P-C4' energy: -75.768 flat angles C4'-P-C4' energy: -65.198 flat angles P-C4'-P energy: -57.220 tors. eta vs tors. theta energy: -73.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -633.705160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.705160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.705160 (E_RNA) where: Base-Base interactions energy: -359.447 where: short stacking energy: -186.989 Base-Backbone interact. energy: -1.478 local terms energy: -272.780101 where: bonds (distance) C4'-P energy: -65.588 bonds (distance) P-C4' energy: -77.188 flat angles C4'-P-C4' energy: -60.050 flat angles P-C4'-P energy: -39.443 tors. eta vs tors. theta energy: -30.511 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: 9, replica: 10 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -388.902183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.902183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.902183 (E_RNA) where: Base-Base interactions energy: -148.129 where: short stacking energy: -116.003 Base-Backbone interact. energy: 7.334 local terms energy: -248.107111 where: bonds (distance) C4'-P energy: -79.142 bonds (distance) P-C4' energy: -68.996 flat angles C4'-P-C4' energy: -60.612 flat angles P-C4'-P energy: -34.207 tors. eta vs tors. theta energy: -5.150 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: 4 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -348.834298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.834298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.834298 (E_RNA) where: Base-Base interactions energy: -129.273 where: short stacking energy: -106.540 Base-Backbone interact. energy: 3.812 local terms energy: -223.373429 where: bonds (distance) C4'-P energy: -70.266 bonds (distance) P-C4' energy: -69.294 flat angles C4'-P-C4' energy: -51.754 flat angles P-C4'-P energy: -43.481 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: 3 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -1393.150860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.150860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.150860 (E_RNA) where: Base-Base interactions energy: -950.040 where: short stacking energy: -401.685 Base-Backbone interact. energy: -4.260 local terms energy: -438.851043 where: bonds (distance) C4'-P energy: -79.001 bonds (distance) P-C4' energy: -84.761 flat angles C4'-P-C4' energy: -90.690 flat angles P-C4'-P energy: -69.118 tors. eta vs tors. theta energy: -115.281 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: 1 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -1302.439701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.439701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.439701 (E_RNA) where: Base-Base interactions energy: -871.667 where: short stacking energy: -366.695 Base-Backbone interact. energy: -5.169 local terms energy: -425.603194 where: bonds (distance) C4'-P energy: -84.977 bonds (distance) P-C4' energy: -84.729 flat angles C4'-P-C4' energy: -82.708 flat angles P-C4'-P energy: -62.662 tors. eta vs tors. theta energy: -110.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -1277.083811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.083811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.083811 (E_RNA) where: Base-Base interactions energy: -861.034 where: short stacking energy: -377.643 Base-Backbone interact. energy: -1.047 local terms energy: -415.002808 where: bonds (distance) C4'-P energy: -74.116 bonds (distance) P-C4' energy: -82.865 flat angles C4'-P-C4' energy: -86.100 flat angles P-C4'-P energy: -59.331 tors. eta vs tors. theta energy: -112.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -1204.346743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.346743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.346743 (E_RNA) where: Base-Base interactions energy: -790.171 where: short stacking energy: -356.327 Base-Backbone interact. energy: 3.782 local terms energy: -417.957963 where: bonds (distance) C4'-P energy: -78.025 bonds (distance) P-C4' energy: -80.299 flat angles C4'-P-C4' energy: -88.662 flat angles P-C4'-P energy: -59.682 tors. eta vs tors. theta energy: -111.290 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: 5, replica: 9 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -1149.845998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.845998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.845998 (E_RNA) where: Base-Base interactions energy: -779.348 where: short stacking energy: -324.287 Base-Backbone interact. energy: -1.522 local terms energy: -368.975278 where: bonds (distance) C4'-P energy: -70.418 bonds (distance) P-C4' energy: -78.487 flat angles C4'-P-C4' energy: -83.079 flat angles P-C4'-P energy: -49.709 tors. eta vs tors. theta energy: -87.283 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: 6, replica: 7 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -993.477118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.477118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.477118 (E_RNA) where: Base-Base interactions energy: -651.814 where: short stacking energy: -293.505 Base-Backbone interact. energy: -0.852 local terms energy: -340.811346 where: bonds (distance) C4'-P energy: -62.620 bonds (distance) P-C4' energy: -76.333 flat angles C4'-P-C4' energy: -79.482 flat angles P-C4'-P energy: -41.096 tors. eta vs tors. theta energy: -81.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -937.895763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.895763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.895763 (E_RNA) where: Base-Base interactions energy: -594.787 where: short stacking energy: -253.822 Base-Backbone interact. energy: -0.193 local terms energy: -342.915897 where: bonds (distance) C4'-P energy: -71.260 bonds (distance) P-C4' energy: -76.865 flat angles C4'-P-C4' energy: -65.052 flat angles P-C4'-P energy: -48.670 tors. eta vs tors. theta energy: -81.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -664.483982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.483982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.483982 (E_RNA) where: Base-Base interactions energy: -387.233 where: short stacking energy: -204.999 Base-Backbone interact. energy: 0.553 local terms energy: -277.803741 where: bonds (distance) C4'-P energy: -61.186 bonds (distance) P-C4' energy: -75.018 flat angles C4'-P-C4' energy: -51.490 flat angles P-C4'-P energy: -50.759 tors. eta vs tors. theta energy: -39.351 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: 9, replica: 10 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -452.693557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.693557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.693557 (E_RNA) where: Base-Base interactions energy: -212.243 where: short stacking energy: -137.511 Base-Backbone interact. energy: 5.839 local terms energy: -246.289418 where: bonds (distance) C4'-P energy: -63.490 bonds (distance) P-C4' energy: -78.877 flat angles C4'-P-C4' energy: -68.793 flat angles P-C4'-P energy: -33.246 tors. eta vs tors. theta energy: -1.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -331.534326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.534326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.534326 (E_RNA) where: Base-Base interactions energy: -122.856 where: short stacking energy: -101.595 Base-Backbone interact. energy: 3.719 local terms energy: -212.398156 where: bonds (distance) C4'-P energy: -58.955 bonds (distance) P-C4' energy: -82.095 flat angles C4'-P-C4' energy: -50.349 flat angles P-C4'-P energy: -33.072 tors. eta vs tors. theta energy: 12.073 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: 284 Temperature: 0.900000 Total energy: -1410.110112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.110112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.110112 (E_RNA) where: Base-Base interactions energy: -963.311 where: short stacking energy: -406.955 Base-Backbone interact. energy: -4.354 local terms energy: -442.445409 where: bonds (distance) C4'-P energy: -82.242 bonds (distance) P-C4' energy: -85.509 flat angles C4'-P-C4' energy: -84.542 flat angles P-C4'-P energy: -63.941 tors. eta vs tors. theta energy: -126.212 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: 1 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -1301.861418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.861418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.861418 (E_RNA) where: Base-Base interactions energy: -872.213 where: short stacking energy: -372.891 Base-Backbone interact. energy: -0.761 local terms energy: -428.887020 where: bonds (distance) C4'-P energy: -83.821 bonds (distance) P-C4' energy: -81.991 flat angles C4'-P-C4' energy: -86.899 flat angles P-C4'-P energy: -61.805 tors. eta vs tors. theta energy: -114.371 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: 5 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -1282.579921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.579921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.579921 (E_RNA) where: Base-Base interactions energy: -865.897 where: short stacking energy: -384.103 Base-Backbone interact. energy: -0.305 local terms energy: -416.378792 where: bonds (distance) C4'-P energy: -83.672 bonds (distance) P-C4' energy: -80.102 flat angles C4'-P-C4' energy: -76.502 flat angles P-C4'-P energy: -58.877 tors. eta vs tors. theta energy: -117.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -1190.688181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.688181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.688181 (E_RNA) where: Base-Base interactions energy: -811.603 where: short stacking energy: -353.028 Base-Backbone interact. energy: 0.583 local terms energy: -379.668179 where: bonds (distance) C4'-P energy: -70.998 bonds (distance) P-C4' energy: -74.150 flat angles C4'-P-C4' energy: -84.483 flat angles P-C4'-P energy: -51.538 tors. eta vs tors. theta energy: -98.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -1169.160617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.160617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.160617 (E_RNA) where: Base-Base interactions energy: -770.659 where: short stacking energy: -332.785 Base-Backbone interact. energy: -2.691 local terms energy: -395.809956 where: bonds (distance) C4'-P energy: -81.458 bonds (distance) P-C4' energy: -71.508 flat angles C4'-P-C4' energy: -87.936 flat angles P-C4'-P energy: -53.649 tors. eta vs tors. theta energy: -101.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -1012.336290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.336290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.336290 (E_RNA) where: Base-Base interactions energy: -648.808 where: short stacking energy: -289.825 Base-Backbone interact. energy: -0.690 local terms energy: -362.838888 where: bonds (distance) C4'-P energy: -72.223 bonds (distance) P-C4' energy: -78.945 flat angles C4'-P-C4' energy: -82.639 flat angles P-C4'-P energy: -51.544 tors. eta vs tors. theta energy: -77.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -915.080460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.080460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.080460 (E_RNA) where: Base-Base interactions energy: -576.638 where: short stacking energy: -251.772 Base-Backbone interact. energy: -3.303 local terms energy: -335.139229 where: bonds (distance) C4'-P energy: -65.424 bonds (distance) P-C4' energy: -82.810 flat angles C4'-P-C4' energy: -75.783 flat angles P-C4'-P energy: -47.435 tors. eta vs tors. theta energy: -63.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -652.088296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.088296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.088296 (E_RNA) where: Base-Base interactions energy: -370.035 where: short stacking energy: -187.029 Base-Backbone interact. energy: 0.448 local terms energy: -282.501799 where: bonds (distance) C4'-P energy: -83.466 bonds (distance) P-C4' energy: -55.652 flat angles C4'-P-C4' energy: -73.183 flat angles P-C4'-P energy: -50.977 tors. eta vs tors. theta energy: -19.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -473.580891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.580891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.580891 (E_RNA) where: Base-Base interactions energy: -259.208 where: short stacking energy: -136.723 Base-Backbone interact. energy: 0.281 local terms energy: -214.653839 where: bonds (distance) C4'-P energy: -53.794 bonds (distance) P-C4' energy: -59.346 flat angles C4'-P-C4' energy: -63.759 flat angles P-C4'-P energy: -33.216 tors. eta vs tors. theta energy: -4.539 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: 4 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -348.160295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.160295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.160295 (E_RNA) where: Base-Base interactions energy: -136.545 where: short stacking energy: -120.764 Base-Backbone interact. energy: 0.958 local terms energy: -212.573652 where: bonds (distance) C4'-P energy: -73.519 bonds (distance) P-C4' energy: -46.926 flat angles C4'-P-C4' energy: -65.843 flat angles P-C4'-P energy: -43.113 tors. eta vs tors. theta energy: 16.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -1377.210605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.210605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.210605 (E_RNA) where: Base-Base interactions energy: -958.994 where: short stacking energy: -401.891 Base-Backbone interact. energy: -1.913 local terms energy: -416.302883 where: bonds (distance) C4'-P energy: -71.963 bonds (distance) P-C4' energy: -83.130 flat angles C4'-P-C4' energy: -85.739 flat angles P-C4'-P energy: -61.772 tors. eta vs tors. theta energy: -113.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -1324.408344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.408344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.408344 (E_RNA) where: Base-Base interactions energy: -902.486 where: short stacking energy: -391.666 Base-Backbone interact. energy: 1.153 local terms energy: -423.076233 where: bonds (distance) C4'-P energy: -68.741 bonds (distance) P-C4' energy: -75.919 flat angles C4'-P-C4' energy: -89.436 flat angles P-C4'-P energy: -63.286 tors. eta vs tors. theta energy: -125.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -1279.203102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.203102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.203102 (E_RNA) where: Base-Base interactions energy: -865.685 where: short stacking energy: -382.613 Base-Backbone interact. energy: -2.747 local terms energy: -410.771477 where: bonds (distance) C4'-P energy: -77.771 bonds (distance) P-C4' energy: -80.938 flat angles C4'-P-C4' energy: -79.510 flat angles P-C4'-P energy: -63.445 tors. eta vs tors. theta energy: -109.107 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: 8 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -1186.508822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.508822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.508822 (E_RNA) where: Base-Base interactions energy: -801.262 where: short stacking energy: -345.856 Base-Backbone interact. energy: -0.523 local terms energy: -384.724283 where: bonds (distance) C4'-P energy: -72.733 bonds (distance) P-C4' energy: -74.679 flat angles C4'-P-C4' energy: -91.567 flat angles P-C4'-P energy: -52.285 tors. eta vs tors. theta energy: -93.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -1139.033674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.033674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.033674 (E_RNA) where: Base-Base interactions energy: -774.674 where: short stacking energy: -342.072 Base-Backbone interact. energy: -1.646 local terms energy: -362.713475 where: bonds (distance) C4'-P energy: -75.234 bonds (distance) P-C4' energy: -59.810 flat angles C4'-P-C4' energy: -86.120 flat angles P-C4'-P energy: -48.243 tors. eta vs tors. theta energy: -93.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -968.903127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.903127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.903127 (E_RNA) where: Base-Base interactions energy: -628.620 where: short stacking energy: -284.012 Base-Backbone interact. energy: 1.201 local terms energy: -341.483568 where: bonds (distance) C4'-P energy: -68.794 bonds (distance) P-C4' energy: -75.644 flat angles C4'-P-C4' energy: -77.646 flat angles P-C4'-P energy: -48.086 tors. eta vs tors. theta energy: -71.314 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: 7 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -994.440118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.440118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.440118 (E_RNA) where: Base-Base interactions energy: -634.025 where: short stacking energy: -265.397 Base-Backbone interact. energy: -0.645 local terms energy: -359.769681 where: bonds (distance) C4'-P energy: -81.552 bonds (distance) P-C4' energy: -77.453 flat angles C4'-P-C4' energy: -77.918 flat angles P-C4'-P energy: -51.798 tors. eta vs tors. theta energy: -71.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -643.747912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.747912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.747912 (E_RNA) where: Base-Base interactions energy: -375.427 where: short stacking energy: -175.043 Base-Backbone interact. energy: 1.166 local terms energy: -269.486905 where: bonds (distance) C4'-P energy: -55.905 bonds (distance) P-C4' energy: -70.662 flat angles C4'-P-C4' energy: -69.417 flat angles P-C4'-P energy: -43.964 tors. eta vs tors. theta energy: -29.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -431.983047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.983047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.983047 (E_RNA) where: Base-Base interactions energy: -186.837 where: short stacking energy: -110.623 Base-Backbone interact. energy: -2.312 local terms energy: -242.834129 where: bonds (distance) C4'-P energy: -71.255 bonds (distance) P-C4' energy: -65.914 flat angles C4'-P-C4' energy: -51.173 flat angles P-C4'-P energy: -39.609 tors. eta vs tors. theta energy: -14.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -334.183240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.183240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.183240 (E_RNA) where: Base-Base interactions energy: -115.092 where: short stacking energy: -73.131 Base-Backbone interact. energy: 1.737 local terms energy: -220.828075 where: bonds (distance) C4'-P energy: -60.023 bonds (distance) P-C4' energy: -74.347 flat angles C4'-P-C4' energy: -64.988 flat angles P-C4'-P energy: -32.861 tors. eta vs tors. theta energy: 11.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -1394.063990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.063990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.063990 (E_RNA) where: Base-Base interactions energy: -965.242 where: short stacking energy: -403.792 Base-Backbone interact. energy: -0.660 local terms energy: -428.162036 where: bonds (distance) C4'-P energy: -76.000 bonds (distance) P-C4' energy: -80.911 flat angles C4'-P-C4' energy: -85.983 flat angles P-C4'-P energy: -69.849 tors. eta vs tors. theta energy: -115.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -1333.270365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.270365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.270365 (E_RNA) where: Base-Base interactions energy: -904.380 where: short stacking energy: -402.170 Base-Backbone interact. energy: -0.533 local terms energy: -428.357419 where: bonds (distance) C4'-P energy: -69.481 bonds (distance) P-C4' energy: -84.956 flat angles C4'-P-C4' energy: -86.742 flat angles P-C4'-P energy: -61.650 tors. eta vs tors. theta energy: -125.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -1259.658177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.658177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.658177 (E_RNA) where: Base-Base interactions energy: -846.817 where: short stacking energy: -362.839 Base-Backbone interact. energy: -0.561 local terms energy: -412.280211 where: bonds (distance) C4'-P energy: -78.036 bonds (distance) P-C4' energy: -78.918 flat angles C4'-P-C4' energy: -95.891 flat angles P-C4'-P energy: -52.456 tors. eta vs tors. theta energy: -106.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -1191.034782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.034782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.034782 (E_RNA) where: Base-Base interactions energy: -807.755 where: short stacking energy: -355.988 Base-Backbone interact. energy: -0.709 local terms energy: -382.570520 where: bonds (distance) C4'-P energy: -76.866 bonds (distance) P-C4' energy: -77.418 flat angles C4'-P-C4' energy: -73.180 flat angles P-C4'-P energy: -56.199 tors. eta vs tors. theta energy: -98.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -1139.374277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.374277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.374277 (E_RNA) where: Base-Base interactions energy: -776.268 where: short stacking energy: -326.031 Base-Backbone interact. energy: -2.235 local terms energy: -360.872016 where: bonds (distance) C4'-P energy: -74.480 bonds (distance) P-C4' energy: -66.060 flat angles C4'-P-C4' energy: -78.649 flat angles P-C4'-P energy: -55.743 tors. eta vs tors. theta energy: -85.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -970.742916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.742916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.742916 (E_RNA) where: Base-Base interactions energy: -620.479 where: short stacking energy: -270.985 Base-Backbone interact. energy: -1.465 local terms energy: -348.798453 where: bonds (distance) C4'-P energy: -68.292 bonds (distance) P-C4' energy: -86.445 flat angles C4'-P-C4' energy: -80.261 flat angles P-C4'-P energy: -45.950 tors. eta vs tors. theta energy: -67.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -912.302766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.302766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.302766 (E_RNA) where: Base-Base interactions energy: -617.224 where: short stacking energy: -267.185 Base-Backbone interact. energy: 0.629 local terms energy: -295.707783 where: bonds (distance) C4'-P energy: -60.802 bonds (distance) P-C4' energy: -71.089 flat angles C4'-P-C4' energy: -70.619 flat angles P-C4'-P energy: -36.336 tors. eta vs tors. theta energy: -56.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -668.792829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.792829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.792829 (E_RNA) where: Base-Base interactions energy: -394.865 where: short stacking energy: -207.957 Base-Backbone interact. energy: 4.395 local terms energy: -278.322886 where: bonds (distance) C4'-P energy: -52.584 bonds (distance) P-C4' energy: -74.190 flat angles C4'-P-C4' energy: -69.452 flat angles P-C4'-P energy: -27.529 tors. eta vs tors. theta energy: -54.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -367.179604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.179604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.179604 (E_RNA) where: Base-Base interactions energy: -123.573 where: short stacking energy: -116.095 Base-Backbone interact. energy: 3.025 local terms energy: -246.631794 where: bonds (distance) C4'-P energy: -57.556 bonds (distance) P-C4' energy: -66.648 flat angles C4'-P-C4' energy: -71.058 flat angles P-C4'-P energy: -49.014 tors. eta vs tors. theta energy: -2.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -380.326483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.326483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.326483 (E_RNA) where: Base-Base interactions energy: -163.325 where: short stacking energy: -83.511 Base-Backbone interact. energy: 1.905 local terms energy: -218.906363 where: bonds (distance) C4'-P energy: -65.324 bonds (distance) P-C4' energy: -75.895 flat angles C4'-P-C4' energy: -61.032 flat angles P-C4'-P energy: -35.829 tors. eta vs tors. theta energy: 19.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -1394.811586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.811586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.811586 (E_RNA) where: Base-Base interactions energy: -963.883 where: short stacking energy: -386.213 Base-Backbone interact. energy: -0.886 local terms energy: -430.042431 where: bonds (distance) C4'-P energy: -83.320 bonds (distance) P-C4' energy: -87.372 flat angles C4'-P-C4' energy: -88.287 flat angles P-C4'-P energy: -58.181 tors. eta vs tors. theta energy: -112.882 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: 5 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -1305.346758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.346758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.346758 (E_RNA) where: Base-Base interactions energy: -871.576 where: short stacking energy: -398.010 Base-Backbone interact. energy: 1.238 local terms energy: -435.008714 where: bonds (distance) C4'-P energy: -76.169 bonds (distance) P-C4' energy: -84.014 flat angles C4'-P-C4' energy: -87.476 flat angles P-C4'-P energy: -62.448 tors. eta vs tors. theta energy: -124.903 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: 1 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -1271.848553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.848553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.848553 (E_RNA) where: Base-Base interactions energy: -855.916 where: short stacking energy: -371.845 Base-Backbone interact. energy: -1.127 local terms energy: -414.806129 where: bonds (distance) C4'-P energy: -74.759 bonds (distance) P-C4' energy: -71.895 flat angles C4'-P-C4' energy: -94.872 flat angles P-C4'-P energy: -64.319 tors. eta vs tors. theta energy: -108.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -1202.344012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.344012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.344012 (E_RNA) where: Base-Base interactions energy: -823.296 where: short stacking energy: -335.236 Base-Backbone interact. energy: -1.652 local terms energy: -377.396448 where: bonds (distance) C4'-P energy: -70.717 bonds (distance) P-C4' energy: -71.172 flat angles C4'-P-C4' energy: -79.454 flat angles P-C4'-P energy: -54.970 tors. eta vs tors. theta energy: -101.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -1170.376049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.376049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.376049 (E_RNA) where: Base-Base interactions energy: -783.142 where: short stacking energy: -350.222 Base-Backbone interact. energy: -3.167 local terms energy: -384.066738 where: bonds (distance) C4'-P energy: -63.141 bonds (distance) P-C4' energy: -83.516 flat angles C4'-P-C4' energy: -86.657 flat angles P-C4'-P energy: -45.884 tors. eta vs tors. theta energy: -104.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -998.549785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.549785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.549785 (E_RNA) where: Base-Base interactions energy: -656.529 where: short stacking energy: -285.253 Base-Backbone interact. energy: -2.735 local terms energy: -339.285785 where: bonds (distance) C4'-P energy: -76.261 bonds (distance) P-C4' energy: -60.935 flat angles C4'-P-C4' energy: -76.124 flat angles P-C4'-P energy: -52.924 tors. eta vs tors. theta energy: -73.042 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: 6 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -965.691399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.691399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.691399 (E_RNA) where: Base-Base interactions energy: -618.722 where: short stacking energy: -269.180 Base-Backbone interact. energy: -1.143 local terms energy: -345.826081 where: bonds (distance) C4'-P energy: -72.334 bonds (distance) P-C4' energy: -75.199 flat angles C4'-P-C4' energy: -75.304 flat angles P-C4'-P energy: -47.302 tors. eta vs tors. theta energy: -75.688 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: 2 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -644.642950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.642950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.642950 (E_RNA) where: Base-Base interactions energy: -333.472 where: short stacking energy: -179.212 Base-Backbone interact. energy: 1.095 local terms energy: -312.266342 where: bonds (distance) C4'-P energy: -75.937 bonds (distance) P-C4' energy: -72.700 flat angles C4'-P-C4' energy: -69.307 flat angles P-C4'-P energy: -48.642 tors. eta vs tors. theta energy: -45.681 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: 4 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -345.877770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.877770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.877770 (E_RNA) where: Base-Base interactions energy: -112.342 where: short stacking energy: -79.888 Base-Backbone interact. energy: 1.622 local terms energy: -235.157624 where: bonds (distance) C4'-P energy: -78.249 bonds (distance) P-C4' energy: -78.026 flat angles C4'-P-C4' energy: -56.845 flat angles P-C4'-P energy: -35.201 tors. eta vs tors. theta energy: 13.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -420.229040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.229040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.229040 (E_RNA) where: Base-Base interactions energy: -176.337 where: short stacking energy: -108.037 Base-Backbone interact. energy: 2.108 local terms energy: -245.999988 where: bonds (distance) C4'-P energy: -72.308 bonds (distance) P-C4' energy: -69.603 flat angles C4'-P-C4' energy: -60.723 flat angles P-C4'-P energy: -35.153 tors. eta vs tors. theta energy: -8.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -1397.818409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.818409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.818409 (E_RNA) where: Base-Base interactions energy: -952.102 where: short stacking energy: -402.148 Base-Backbone interact. energy: -2.501 local terms energy: -443.215403 where: bonds (distance) C4'-P energy: -86.461 bonds (distance) P-C4' energy: -87.846 flat angles C4'-P-C4' energy: -88.730 flat angles P-C4'-P energy: -59.661 tors. eta vs tors. theta energy: -120.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -1302.865225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.865225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.865225 (E_RNA) where: Base-Base interactions energy: -885.415 where: short stacking energy: -399.096 Base-Backbone interact. energy: -1.882 local terms energy: -415.568374 where: bonds (distance) C4'-P energy: -79.236 bonds (distance) P-C4' energy: -78.158 flat angles C4'-P-C4' energy: -88.955 flat angles P-C4'-P energy: -53.714 tors. eta vs tors. theta energy: -115.506 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: 9 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -1231.092935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.092935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.092935 (E_RNA) where: Base-Base interactions energy: -844.105 where: short stacking energy: -351.613 Base-Backbone interact. energy: -1.384 local terms energy: -385.603722 where: bonds (distance) C4'-P energy: -78.316 bonds (distance) P-C4' energy: -78.304 flat angles C4'-P-C4' energy: -85.999 flat angles P-C4'-P energy: -51.115 tors. eta vs tors. theta energy: -91.870 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: 1 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -1238.541154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.541154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.541154 (E_RNA) where: Base-Base interactions energy: -834.736 where: short stacking energy: -367.429 Base-Backbone interact. energy: 0.531 local terms energy: -404.335352 where: bonds (distance) C4'-P energy: -80.094 bonds (distance) P-C4' energy: -78.139 flat angles C4'-P-C4' energy: -77.344 flat angles P-C4'-P energy: -70.643 tors. eta vs tors. theta energy: -98.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -1176.223441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.223441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.223441 (E_RNA) where: Base-Base interactions energy: -789.191 where: short stacking energy: -360.383 Base-Backbone interact. energy: -1.027 local terms energy: -386.005901 where: bonds (distance) C4'-P energy: -62.404 bonds (distance) P-C4' energy: -75.169 flat angles C4'-P-C4' energy: -82.728 flat angles P-C4'-P energy: -54.253 tors. eta vs tors. theta energy: -111.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -948.387327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.387327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.387327 (E_RNA) where: Base-Base interactions energy: -609.676 where: short stacking energy: -272.651 Base-Backbone interact. energy: -0.532 local terms energy: -338.179639 where: bonds (distance) C4'-P energy: -73.669 bonds (distance) P-C4' energy: -77.975 flat angles C4'-P-C4' energy: -77.635 flat angles P-C4'-P energy: -41.452 tors. eta vs tors. theta energy: -67.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -929.029358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.029358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.029358 (E_RNA) where: Base-Base interactions energy: -595.031 where: short stacking energy: -269.552 Base-Backbone interact. energy: 4.922 local terms energy: -338.920520 where: bonds (distance) C4'-P energy: -70.745 bonds (distance) P-C4' energy: -72.338 flat angles C4'-P-C4' energy: -86.325 flat angles P-C4'-P energy: -48.820 tors. eta vs tors. theta energy: -60.692 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: 8, replica: 2 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -672.714406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.714406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.714406 (E_RNA) where: Base-Base interactions energy: -384.680 where: short stacking energy: -189.555 Base-Backbone interact. energy: -2.456 local terms energy: -285.578745 where: bonds (distance) C4'-P energy: -69.589 bonds (distance) P-C4' energy: -70.926 flat angles C4'-P-C4' energy: -77.869 flat angles P-C4'-P energy: -34.768 tors. eta vs tors. theta energy: -32.427 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: 4 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -355.626586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.626586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.626586 (E_RNA) where: Base-Base interactions energy: -127.794 where: short stacking energy: -86.317 Base-Backbone interact. energy: 0.178 local terms energy: -228.010377 where: bonds (distance) C4'-P energy: -74.739 bonds (distance) P-C4' energy: -66.842 flat angles C4'-P-C4' energy: -64.287 flat angles P-C4'-P energy: -32.667 tors. eta vs tors. theta energy: 10.524 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: 10, replica: 10 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -406.004577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.004577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.004577 (E_RNA) where: Base-Base interactions energy: -157.834 where: short stacking energy: -97.921 Base-Backbone interact. energy: 1.238 local terms energy: -249.409006 where: bonds (distance) C4'-P energy: -67.017 bonds (distance) P-C4' energy: -73.639 flat angles C4'-P-C4' energy: -72.614 flat angles P-C4'-P energy: -41.002 tors. eta vs tors. theta energy: 4.863 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: 1, replica: 3 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -1387.515813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.515813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.515813 (E_RNA) where: Base-Base interactions energy: -964.049 where: short stacking energy: -399.954 Base-Backbone interact. energy: -1.776 local terms energy: -421.690560 where: bonds (distance) C4'-P energy: -87.869 bonds (distance) P-C4' energy: -84.464 flat angles C4'-P-C4' energy: -85.771 flat angles P-C4'-P energy: -52.394 tors. eta vs tors. theta energy: -111.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -1285.336867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.336867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.336867 (E_RNA) where: Base-Base interactions energy: -836.799 where: short stacking energy: -381.851 Base-Backbone interact. energy: -2.305 local terms energy: -446.232598 where: bonds (distance) C4'-P energy: -83.642 bonds (distance) P-C4' energy: -81.309 flat angles C4'-P-C4' energy: -99.088 flat angles P-C4'-P energy: -64.949 tors. eta vs tors. theta energy: -117.244 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: 3, replica: 9 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -1218.005833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.005833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.005833 (E_RNA) where: Base-Base interactions energy: -841.174 where: short stacking energy: -362.487 Base-Backbone interact. energy: -1.091 local terms energy: -375.741130 where: bonds (distance) C4'-P energy: -64.494 bonds (distance) P-C4' energy: -69.920 flat angles C4'-P-C4' energy: -80.556 flat angles P-C4'-P energy: -55.462 tors. eta vs tors. theta energy: -105.308 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: 1 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -1189.538646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.538646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.538646 (E_RNA) where: Base-Base interactions energy: -813.461 where: short stacking energy: -348.678 Base-Backbone interact. energy: -2.384 local terms energy: -373.693782 where: bonds (distance) C4'-P energy: -84.797 bonds (distance) P-C4' energy: -49.302 flat angles C4'-P-C4' energy: -81.724 flat angles P-C4'-P energy: -56.440 tors. eta vs tors. theta energy: -101.432 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: 8 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -1112.904499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.904499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.904499 (E_RNA) where: Base-Base interactions energy: -743.115 where: short stacking energy: -327.427 Base-Backbone interact. energy: -0.842 local terms energy: -368.947013 where: bonds (distance) C4'-P energy: -73.585 bonds (distance) P-C4' energy: -68.832 flat angles C4'-P-C4' energy: -81.742 flat angles P-C4'-P energy: -57.952 tors. eta vs tors. theta energy: -86.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -932.344615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.344615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.344615 (E_RNA) where: Base-Base interactions energy: -595.088 where: short stacking energy: -236.687 Base-Backbone interact. energy: -1.434 local terms energy: -335.822431 where: bonds (distance) C4'-P energy: -74.724 bonds (distance) P-C4' energy: -74.168 flat angles C4'-P-C4' energy: -75.125 flat angles P-C4'-P energy: -54.167 tors. eta vs tors. theta energy: -57.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -936.475691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.475691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.475691 (E_RNA) where: Base-Base interactions energy: -601.574 where: short stacking energy: -260.727 Base-Backbone interact. energy: -0.818 local terms energy: -334.083683 where: bonds (distance) C4'-P energy: -83.161 bonds (distance) P-C4' energy: -73.829 flat angles C4'-P-C4' energy: -75.558 flat angles P-C4'-P energy: -45.708 tors. eta vs tors. theta energy: -55.827 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: 2 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -665.129988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.129988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.129988 (E_RNA) where: Base-Base interactions energy: -372.678 where: short stacking energy: -205.980 Base-Backbone interact. energy: -1.131 local terms energy: -291.321568 where: bonds (distance) C4'-P energy: -68.919 bonds (distance) P-C4' energy: -67.630 flat angles C4'-P-C4' energy: -81.084 flat angles P-C4'-P energy: -32.268 tors. eta vs tors. theta energy: -41.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -371.615882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.615882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.615882 (E_RNA) where: Base-Base interactions energy: -142.748 where: short stacking energy: -89.999 Base-Backbone interact. energy: -1.550 local terms energy: -227.317531 where: bonds (distance) C4'-P energy: -72.426 bonds (distance) P-C4' energy: -64.760 flat angles C4'-P-C4' energy: -57.817 flat angles P-C4'-P energy: -33.883 tors. eta vs tors. theta energy: 1.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -384.378833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.378833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.378833 (E_RNA) where: Base-Base interactions energy: -141.528 where: short stacking energy: -94.017 Base-Backbone interact. energy: 0.065 local terms energy: -242.915328 where: bonds (distance) C4'-P energy: -75.768 bonds (distance) P-C4' energy: -92.388 flat angles C4'-P-C4' energy: -49.443 flat angles P-C4'-P energy: -29.794 tors. eta vs tors. theta energy: 4.477 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: 3 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -1403.089649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.089649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.089649 (E_RNA) where: Base-Base interactions energy: -966.811 where: short stacking energy: -410.945 Base-Backbone interact. energy: -0.931 local terms energy: -435.347436 where: bonds (distance) C4'-P energy: -69.951 bonds (distance) P-C4' energy: -85.266 flat angles C4'-P-C4' energy: -94.480 flat angles P-C4'-P energy: -69.245 tors. eta vs tors. theta energy: -116.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -1278.475089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.475089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.475089 (E_RNA) where: Base-Base interactions energy: -851.676 where: short stacking energy: -401.142 Base-Backbone interact. energy: 0.397 local terms energy: -427.196116 where: bonds (distance) C4'-P energy: -73.239 bonds (distance) P-C4' energy: -76.890 flat angles C4'-P-C4' energy: -97.243 flat angles P-C4'-P energy: -65.275 tors. eta vs tors. theta energy: -114.548 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: 3, replica: 9 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -1224.348515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.348515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.348515 (E_RNA) where: Base-Base interactions energy: -820.737 where: short stacking energy: -362.603 Base-Backbone interact. energy: -0.766 local terms energy: -402.845519 where: bonds (distance) C4'-P energy: -70.388 bonds (distance) P-C4' energy: -85.800 flat angles C4'-P-C4' energy: -86.398 flat angles P-C4'-P energy: -54.006 tors. eta vs tors. theta energy: -106.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -1176.037535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.037535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.037535 (E_RNA) where: Base-Base interactions energy: -764.129 where: short stacking energy: -346.404 Base-Backbone interact. energy: -3.490 local terms energy: -408.418710 where: bonds (distance) C4'-P energy: -77.065 bonds (distance) P-C4' energy: -85.331 flat angles C4'-P-C4' energy: -89.128 flat angles P-C4'-P energy: -59.357 tors. eta vs tors. theta energy: -97.538 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: 8 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -1118.340986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.340986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.340986 (E_RNA) where: Base-Base interactions energy: -722.074 where: short stacking energy: -309.861 Base-Backbone interact. energy: -0.409 local terms energy: -395.857903 where: bonds (distance) C4'-P energy: -72.895 bonds (distance) P-C4' energy: -68.017 flat angles C4'-P-C4' energy: -91.631 flat angles P-C4'-P energy: -68.164 tors. eta vs tors. theta energy: -95.151 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: 6 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -869.818525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.818525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.818525 (E_RNA) where: Base-Base interactions energy: -561.869 where: short stacking energy: -244.068 Base-Backbone interact. energy: -1.268 local terms energy: -306.681518 where: bonds (distance) C4'-P energy: -66.996 bonds (distance) P-C4' energy: -81.005 flat angles C4'-P-C4' energy: -67.427 flat angles P-C4'-P energy: -42.316 tors. eta vs tors. theta energy: -48.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -920.996237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.996237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.996237 (E_RNA) where: Base-Base interactions energy: -614.839 where: short stacking energy: -261.966 Base-Backbone interact. energy: -1.569 local terms energy: -304.588657 where: bonds (distance) C4'-P energy: -54.659 bonds (distance) P-C4' energy: -71.885 flat angles C4'-P-C4' energy: -71.577 flat angles P-C4'-P energy: -47.897 tors. eta vs tors. theta energy: -58.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -682.378398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.378398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.378398 (E_RNA) where: Base-Base interactions energy: -413.309 where: short stacking energy: -226.737 Base-Backbone interact. energy: 0.559 local terms energy: -269.628545 where: bonds (distance) C4'-P energy: -53.398 bonds (distance) P-C4' energy: -71.809 flat angles C4'-P-C4' energy: -64.786 flat angles P-C4'-P energy: -40.454 tors. eta vs tors. theta energy: -39.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -360.689499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.689499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.689499 (E_RNA) where: Base-Base interactions energy: -147.348 where: short stacking energy: -113.337 Base-Backbone interact. energy: -1.343 local terms energy: -211.998537 where: bonds (distance) C4'-P energy: -60.771 bonds (distance) P-C4' energy: -75.265 flat angles C4'-P-C4' energy: -42.712 flat angles P-C4'-P energy: -38.449 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: 4 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -329.306337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.306337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.306337 (E_RNA) where: Base-Base interactions energy: -126.043 where: short stacking energy: -115.571 Base-Backbone interact. energy: -2.509 local terms energy: -200.754254 where: bonds (distance) C4'-P energy: -62.233 bonds (distance) P-C4' energy: -60.723 flat angles C4'-P-C4' energy: -70.608 flat angles P-C4'-P energy: -12.616 tors. eta vs tors. theta energy: 5.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -1383.275915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.275915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.275915 (E_RNA) where: Base-Base interactions energy: -947.050 where: short stacking energy: -395.529 Base-Backbone interact. energy: -3.155 local terms energy: -433.071368 where: bonds (distance) C4'-P energy: -85.840 bonds (distance) P-C4' energy: -77.058 flat angles C4'-P-C4' energy: -90.471 flat angles P-C4'-P energy: -61.901 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: 5 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -1295.831892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.831892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.831892 (E_RNA) where: Base-Base interactions energy: -878.063 where: short stacking energy: -398.852 Base-Backbone interact. energy: -1.983 local terms energy: -415.785125 where: bonds (distance) C4'-P energy: -79.522 bonds (distance) P-C4' energy: -74.135 flat angles C4'-P-C4' energy: -90.005 flat angles P-C4'-P energy: -59.333 tors. eta vs tors. theta energy: -112.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -1221.219217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.219217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.219217 (E_RNA) where: Base-Base interactions energy: -814.832 where: short stacking energy: -348.625 Base-Backbone interact. energy: 0.874 local terms energy: -407.261395 where: bonds (distance) C4'-P energy: -68.599 bonds (distance) P-C4' energy: -69.449 flat angles C4'-P-C4' energy: -97.130 flat angles P-C4'-P energy: -63.305 tors. eta vs tors. theta energy: -108.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -1166.279181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.279181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.279181 (E_RNA) where: Base-Base interactions energy: -789.116 where: short stacking energy: -352.213 Base-Backbone interact. energy: 0.964 local terms energy: -378.126793 where: bonds (distance) C4'-P energy: -76.156 bonds (distance) P-C4' energy: -75.864 flat angles C4'-P-C4' energy: -80.812 flat angles P-C4'-P energy: -51.750 tors. eta vs tors. theta energy: -93.545 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: 8 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -1078.124293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.124293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.124293 (E_RNA) where: Base-Base interactions energy: -713.818 where: short stacking energy: -304.474 Base-Backbone interact. energy: -1.730 local terms energy: -362.576594 where: bonds (distance) C4'-P energy: -78.077 bonds (distance) P-C4' energy: -77.505 flat angles C4'-P-C4' energy: -71.216 flat angles P-C4'-P energy: -52.514 tors. eta vs tors. theta energy: -83.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -945.778391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.778391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.778391 (E_RNA) where: Base-Base interactions energy: -623.804 where: short stacking energy: -269.983 Base-Backbone interact. energy: -0.999 local terms energy: -320.974806 where: bonds (distance) C4'-P energy: -68.299 bonds (distance) P-C4' energy: -71.315 flat angles C4'-P-C4' energy: -74.190 flat angles P-C4'-P energy: -40.470 tors. eta vs tors. theta energy: -66.700 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: 291 Temperature: 1.200000 Total energy: -860.332250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.332250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.332250 (E_RNA) where: Base-Base interactions energy: -522.012 where: short stacking energy: -223.303 Base-Backbone interact. energy: 0.232 local terms energy: -338.552891 where: bonds (distance) C4'-P energy: -77.720 bonds (distance) P-C4' energy: -78.927 flat angles C4'-P-C4' energy: -74.174 flat angles P-C4'-P energy: -46.223 tors. eta vs tors. theta energy: -61.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -659.690852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.690852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.690852 (E_RNA) where: Base-Base interactions energy: -364.724 where: short stacking energy: -195.279 Base-Backbone interact. energy: -0.821 local terms energy: -294.146506 where: bonds (distance) C4'-P energy: -76.801 bonds (distance) P-C4' energy: -68.915 flat angles C4'-P-C4' energy: -68.731 flat angles P-C4'-P energy: -47.049 tors. eta vs tors. theta energy: -32.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -350.964890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.964890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.964890 (E_RNA) where: Base-Base interactions energy: -103.794 where: short stacking energy: -93.911 Base-Backbone interact. energy: 0.895 local terms energy: -248.065070 where: bonds (distance) C4'-P energy: -67.655 bonds (distance) P-C4' energy: -77.150 flat angles C4'-P-C4' energy: -70.129 flat angles P-C4'-P energy: -40.348 tors. eta vs tors. theta energy: 7.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -324.310588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.310588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.310588 (E_RNA) where: Base-Base interactions energy: -108.580 where: short stacking energy: -99.562 Base-Backbone interact. energy: 1.301 local terms energy: -217.031855 where: bonds (distance) C4'-P energy: -66.597 bonds (distance) P-C4' energy: -67.503 flat angles C4'-P-C4' energy: -60.004 flat angles P-C4'-P energy: -27.558 tors. eta vs tors. theta energy: 4.631 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: 3 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -1408.563250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.563250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.563250 (E_RNA) where: Base-Base interactions energy: -973.946 where: short stacking energy: -415.405 Base-Backbone interact. energy: -2.963 local terms energy: -431.653816 where: bonds (distance) C4'-P energy: -82.412 bonds (distance) P-C4' energy: -81.138 flat angles C4'-P-C4' energy: -92.959 flat angles P-C4'-P energy: -57.272 tors. eta vs tors. theta energy: -117.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -1285.475550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.475550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.475550 (E_RNA) where: Base-Base interactions energy: -852.850 where: short stacking energy: -386.168 Base-Backbone interact. energy: -2.080 local terms energy: -430.545166 where: bonds (distance) C4'-P energy: -77.996 bonds (distance) P-C4' energy: -79.569 flat angles C4'-P-C4' energy: -92.558 flat angles P-C4'-P energy: -61.256 tors. eta vs tors. theta energy: -119.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -1244.956192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.956192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.956192 (E_RNA) where: Base-Base interactions energy: -842.243 where: short stacking energy: -371.323 Base-Backbone interact. energy: -1.380 local terms energy: -401.333315 where: bonds (distance) C4'-P energy: -75.897 bonds (distance) P-C4' energy: -79.990 flat angles C4'-P-C4' energy: -81.126 flat angles P-C4'-P energy: -54.021 tors. eta vs tors. theta energy: -110.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -1212.058711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.058711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.058711 (E_RNA) where: Base-Base interactions energy: -806.426 where: short stacking energy: -365.316 Base-Backbone interact. energy: -1.722 local terms energy: -403.910403 where: bonds (distance) C4'-P energy: -72.799 bonds (distance) P-C4' energy: -85.061 flat angles C4'-P-C4' energy: -82.142 flat angles P-C4'-P energy: -51.605 tors. eta vs tors. theta energy: -112.304 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: 8 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -1127.102908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.102908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.102908 (E_RNA) where: Base-Base interactions energy: -756.941 where: short stacking energy: -320.410 Base-Backbone interact. energy: -1.403 local terms energy: -368.759155 where: bonds (distance) C4'-P energy: -67.823 bonds (distance) P-C4' energy: -67.509 flat angles C4'-P-C4' energy: -87.977 flat angles P-C4'-P energy: -59.375 tors. eta vs tors. theta energy: -86.075 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: 7 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -967.711376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.711376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.711376 (E_RNA) where: Base-Base interactions energy: -638.187 where: short stacking energy: -280.347 Base-Backbone interact. energy: 1.202 local terms energy: -330.726392 where: bonds (distance) C4'-P energy: -55.284 bonds (distance) P-C4' energy: -81.321 flat angles C4'-P-C4' energy: -69.980 flat angles P-C4'-P energy: -49.924 tors. eta vs tors. theta energy: -74.218 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: 7, replica: 6 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -898.772955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.772955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.772955 (E_RNA) where: Base-Base interactions energy: -571.354 where: short stacking energy: -231.545 Base-Backbone interact. energy: 0.599 local terms energy: -328.018022 where: bonds (distance) C4'-P energy: -71.883 bonds (distance) P-C4' energy: -67.754 flat angles C4'-P-C4' energy: -84.179 flat angles P-C4'-P energy: -41.326 tors. eta vs tors. theta energy: -62.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -636.230949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.230949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.230949 (E_RNA) where: Base-Base interactions energy: -359.831 where: short stacking energy: -191.235 Base-Backbone interact. energy: -1.141 local terms energy: -275.259625 where: bonds (distance) C4'-P energy: -67.518 bonds (distance) P-C4' energy: -69.367 flat angles C4'-P-C4' energy: -65.203 flat angles P-C4'-P energy: -38.345 tors. eta vs tors. theta energy: -34.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -380.203044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.203044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.203044 (E_RNA) where: Base-Base interactions energy: -176.558 where: short stacking energy: -119.794 Base-Backbone interact. energy: 4.052 local terms energy: -207.696833 where: bonds (distance) C4'-P energy: -56.362 bonds (distance) P-C4' energy: -71.979 flat angles C4'-P-C4' energy: -47.125 flat angles P-C4'-P energy: -44.597 tors. eta vs tors. theta energy: 12.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -321.575040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -321.575040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -321.575040 (E_RNA) where: Base-Base interactions energy: -110.799 where: short stacking energy: -100.694 Base-Backbone interact. energy: 0.811 local terms energy: -211.586576 where: bonds (distance) C4'-P energy: -63.906 bonds (distance) P-C4' energy: -69.672 flat angles C4'-P-C4' energy: -55.660 flat angles P-C4'-P energy: -33.733 tors. eta vs tors. theta energy: 11.384 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: 3 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -1385.766879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.766879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.766879 (E_RNA) where: Base-Base interactions energy: -960.136 where: short stacking energy: -392.218 Base-Backbone interact. energy: -2.366 local terms energy: -423.265188 where: bonds (distance) C4'-P energy: -82.148 bonds (distance) P-C4' energy: -82.091 flat angles C4'-P-C4' energy: -79.944 flat angles P-C4'-P energy: -55.241 tors. eta vs tors. theta energy: -123.842 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: 2, replica: 5 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -1298.715006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.715006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.715006 (E_RNA) where: Base-Base interactions energy: -868.116 where: short stacking energy: -402.843 Base-Backbone interact. energy: -1.880 local terms energy: -428.718088 where: bonds (distance) C4'-P energy: -79.041 bonds (distance) P-C4' energy: -79.947 flat angles C4'-P-C4' energy: -92.090 flat angles P-C4'-P energy: -60.858 tors. eta vs tors. theta energy: -116.781 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: 9 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -1240.261729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.261729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.261729 (E_RNA) where: Base-Base interactions energy: -842.270 where: short stacking energy: -377.189 Base-Backbone interact. energy: -4.075 local terms energy: -393.917643 where: bonds (distance) C4'-P energy: -60.069 bonds (distance) P-C4' energy: -85.806 flat angles C4'-P-C4' energy: -86.242 flat angles P-C4'-P energy: -57.350 tors. eta vs tors. theta energy: -104.451 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: 1 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -1203.445688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.445688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.445688 (E_RNA) where: Base-Base interactions energy: -801.406 where: short stacking energy: -356.269 Base-Backbone interact. energy: -2.406 local terms energy: -399.633805 where: bonds (distance) C4'-P energy: -76.479 bonds (distance) P-C4' energy: -61.381 flat angles C4'-P-C4' energy: -89.444 flat angles P-C4'-P energy: -58.791 tors. eta vs tors. theta energy: -113.538 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: 8 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -1107.933995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.933995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.933995 (E_RNA) where: Base-Base interactions energy: -766.013 where: short stacking energy: -331.669 Base-Backbone interact. energy: 0.395 local terms energy: -342.316213 where: bonds (distance) C4'-P energy: -60.573 bonds (distance) P-C4' energy: -65.442 flat angles C4'-P-C4' energy: -84.937 flat angles P-C4'-P energy: -48.173 tors. eta vs tors. theta energy: -83.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -901.770774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.770774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.770774 (E_RNA) where: Base-Base interactions energy: -551.472 where: short stacking energy: -245.122 Base-Backbone interact. energy: -0.436 local terms energy: -349.863085 where: bonds (distance) C4'-P energy: -78.521 bonds (distance) P-C4' energy: -81.483 flat angles C4'-P-C4' energy: -65.312 flat angles P-C4'-P energy: -57.109 tors. eta vs tors. theta energy: -67.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -927.052556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.052556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.052556 (E_RNA) where: Base-Base interactions energy: -601.812 where: short stacking energy: -287.817 Base-Backbone interact. energy: -1.381 local terms energy: -323.859384 where: bonds (distance) C4'-P energy: -62.390 bonds (distance) P-C4' energy: -81.522 flat angles C4'-P-C4' energy: -69.226 flat angles P-C4'-P energy: -40.740 tors. eta vs tors. theta energy: -69.981 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: 8, replica: 2 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -702.032144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.032144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.032144 (E_RNA) where: Base-Base interactions energy: -384.027 where: short stacking energy: -203.626 Base-Backbone interact. energy: -2.195 local terms energy: -315.809619 where: bonds (distance) C4'-P energy: -76.276 bonds (distance) P-C4' energy: -86.102 flat angles C4'-P-C4' energy: -70.491 flat angles P-C4'-P energy: -48.199 tors. eta vs tors. theta energy: -34.742 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: 10 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -355.455280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.455280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.455280 (E_RNA) where: Base-Base interactions energy: -129.649 where: short stacking energy: -107.810 Base-Backbone interact. energy: -1.169 local terms energy: -224.636544 where: bonds (distance) C4'-P energy: -54.720 bonds (distance) P-C4' energy: -84.438 flat angles C4'-P-C4' energy: -58.767 flat angles P-C4'-P energy: -39.642 tors. eta vs tors. theta energy: 12.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -340.217718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.217718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.217718 (E_RNA) where: Base-Base interactions energy: -123.420 where: short stacking energy: -97.783 Base-Backbone interact. energy: 1.990 local terms energy: -218.787906 where: bonds (distance) C4'-P energy: -59.467 bonds (distance) P-C4' energy: -55.875 flat angles C4'-P-C4' energy: -64.090 flat angles P-C4'-P energy: -41.724 tors. eta vs tors. theta energy: 2.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -1397.742805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.742805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.742805 (E_RNA) where: Base-Base interactions energy: -967.281 where: short stacking energy: -375.976 Base-Backbone interact. energy: -2.063 local terms energy: -428.399210 where: bonds (distance) C4'-P energy: -84.176 bonds (distance) P-C4' energy: -81.819 flat angles C4'-P-C4' energy: -86.649 flat angles P-C4'-P energy: -61.858 tors. eta vs tors. theta energy: -113.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -1298.033740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.033740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.033740 (E_RNA) where: Base-Base interactions energy: -870.734 where: short stacking energy: -377.596 Base-Backbone interact. energy: -1.723 local terms energy: -425.576400 where: bonds (distance) C4'-P energy: -77.677 bonds (distance) P-C4' energy: -81.248 flat angles C4'-P-C4' energy: -92.482 flat angles P-C4'-P energy: -60.308 tors. eta vs tors. theta energy: -113.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -1261.500457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.500457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.500457 (E_RNA) where: Base-Base interactions energy: -837.001 where: short stacking energy: -376.180 Base-Backbone interact. energy: 2.187 local terms energy: -426.686029 where: bonds (distance) C4'-P energy: -89.222 bonds (distance) P-C4' energy: -75.770 flat angles C4'-P-C4' energy: -89.252 flat angles P-C4'-P energy: -59.917 tors. eta vs tors. theta energy: -112.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -1210.579676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.579676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.579676 (E_RNA) where: Base-Base interactions energy: -814.177 where: short stacking energy: -347.286 Base-Backbone interact. energy: -1.777 local terms energy: -394.626607 where: bonds (distance) C4'-P energy: -73.500 bonds (distance) P-C4' energy: -77.871 flat angles C4'-P-C4' energy: -86.567 flat angles P-C4'-P energy: -50.886 tors. eta vs tors. theta energy: -105.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -1101.066235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.066235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.066235 (E_RNA) where: Base-Base interactions energy: -727.416 where: short stacking energy: -313.562 Base-Backbone interact. energy: -0.594 local terms energy: -373.056297 where: bonds (distance) C4'-P energy: -69.747 bonds (distance) P-C4' energy: -76.775 flat angles C4'-P-C4' energy: -85.933 flat angles P-C4'-P energy: -58.781 tors. eta vs tors. theta energy: -81.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -946.734856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.734856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.734856 (E_RNA) where: Base-Base interactions energy: -602.474 where: short stacking energy: -270.706 Base-Backbone interact. energy: -1.831 local terms energy: -342.429469 where: bonds (distance) C4'-P energy: -67.386 bonds (distance) P-C4' energy: -81.376 flat angles C4'-P-C4' energy: -78.909 flat angles P-C4'-P energy: -39.307 tors. eta vs tors. theta energy: -75.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -938.502390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.502390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.502390 (E_RNA) where: Base-Base interactions energy: -618.738 where: short stacking energy: -248.281 Base-Backbone interact. energy: -0.740 local terms energy: -319.024313 where: bonds (distance) C4'-P energy: -69.860 bonds (distance) P-C4' energy: -78.232 flat angles C4'-P-C4' energy: -67.546 flat angles P-C4'-P energy: -43.864 tors. eta vs tors. theta energy: -59.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -648.657459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.657459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.657459 (E_RNA) where: Base-Base interactions energy: -351.746 where: short stacking energy: -189.837 Base-Backbone interact. energy: -1.837 local terms energy: -295.074412 where: bonds (distance) C4'-P energy: -86.033 bonds (distance) P-C4' energy: -66.039 flat angles C4'-P-C4' energy: -74.741 flat angles P-C4'-P energy: -31.552 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: 4 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -360.130408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.130408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.130408 (E_RNA) where: Base-Base interactions energy: -156.858 where: short stacking energy: -103.869 Base-Backbone interact. energy: 4.938 local terms energy: -208.209976 where: bonds (distance) C4'-P energy: -53.216 bonds (distance) P-C4' energy: -54.888 flat angles C4'-P-C4' energy: -64.382 flat angles P-C4'-P energy: -33.716 tors. eta vs tors. theta energy: -2.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -331.505765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.505765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.505765 (E_RNA) where: Base-Base interactions energy: -116.705 where: short stacking energy: -103.598 Base-Backbone interact. energy: 5.258 local terms energy: -220.059148 where: bonds (distance) C4'-P energy: -78.474 bonds (distance) P-C4' energy: -72.182 flat angles C4'-P-C4' energy: -57.092 flat angles P-C4'-P energy: -27.585 tors. eta vs tors. theta energy: 15.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -1393.016982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.016982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.016982 (E_RNA) where: Base-Base interactions energy: -966.442 where: short stacking energy: -414.980 Base-Backbone interact. energy: -0.299 local terms energy: -426.275666 where: bonds (distance) C4'-P energy: -82.472 bonds (distance) P-C4' energy: -66.964 flat angles C4'-P-C4' energy: -91.587 flat angles P-C4'-P energy: -64.332 tors. eta vs tors. theta energy: -120.921 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: 5 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -1286.697506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.697506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.697506 (E_RNA) where: Base-Base interactions energy: -858.642 where: short stacking energy: -383.564 Base-Backbone interact. energy: -3.424 local terms energy: -424.631671 where: bonds (distance) C4'-P energy: -74.557 bonds (distance) P-C4' energy: -86.258 flat angles C4'-P-C4' energy: -87.621 flat angles P-C4'-P energy: -57.991 tors. eta vs tors. theta energy: -118.205 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: 295 Temperature: 1.000000 Total energy: -1249.845879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.845879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.845879 (E_RNA) where: Base-Base interactions energy: -829.118 where: short stacking energy: -374.867 Base-Backbone interact. energy: -1.601 local terms energy: -419.126677 where: bonds (distance) C4'-P energy: -71.377 bonds (distance) P-C4' energy: -79.397 flat angles C4'-P-C4' energy: -93.509 flat angles P-C4'-P energy: -68.713 tors. eta vs tors. theta energy: -106.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -1236.752233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.752233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.752233 (E_RNA) where: Base-Base interactions energy: -836.499 where: short stacking energy: -348.151 Base-Backbone interact. energy: -1.236 local terms energy: -399.017461 where: bonds (distance) C4'-P energy: -78.574 bonds (distance) P-C4' energy: -71.306 flat angles C4'-P-C4' energy: -90.313 flat angles P-C4'-P energy: -55.893 tors. eta vs tors. theta energy: -102.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -1143.774134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.774134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.774134 (E_RNA) where: Base-Base interactions energy: -770.542 where: short stacking energy: -347.866 Base-Backbone interact. energy: -0.773 local terms energy: -372.458992 where: bonds (distance) C4'-P energy: -72.691 bonds (distance) P-C4' energy: -72.660 flat angles C4'-P-C4' energy: -81.761 flat angles P-C4'-P energy: -42.847 tors. eta vs tors. theta energy: -102.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -980.799249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.799249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.799249 (E_RNA) where: Base-Base interactions energy: -641.249 where: short stacking energy: -278.001 Base-Backbone interact. energy: -1.129 local terms energy: -338.421514 where: bonds (distance) C4'-P energy: -69.912 bonds (distance) P-C4' energy: -71.233 flat angles C4'-P-C4' energy: -80.005 flat angles P-C4'-P energy: -44.390 tors. eta vs tors. theta energy: -72.882 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: 7, replica: 7 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -964.579049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.579049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.579049 (E_RNA) where: Base-Base interactions energy: -648.367 where: short stacking energy: -287.912 Base-Backbone interact. energy: -1.449 local terms energy: -314.763615 where: bonds (distance) C4'-P energy: -46.765 bonds (distance) P-C4' energy: -79.880 flat angles C4'-P-C4' energy: -67.253 flat angles P-C4'-P energy: -43.194 tors. eta vs tors. theta energy: -77.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -634.420489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.420489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.420489 (E_RNA) where: Base-Base interactions energy: -351.447 where: short stacking energy: -199.658 Base-Backbone interact. energy: 0.384 local terms energy: -283.357726 where: bonds (distance) C4'-P energy: -71.384 bonds (distance) P-C4' energy: -65.731 flat angles C4'-P-C4' energy: -63.865 flat angles P-C4'-P energy: -48.532 tors. eta vs tors. theta energy: -33.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -360.189985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.189985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.189985 (E_RNA) where: Base-Base interactions energy: -142.329 where: short stacking energy: -117.347 Base-Backbone interact. energy: -1.043 local terms energy: -216.817730 where: bonds (distance) C4'-P energy: -62.755 bonds (distance) P-C4' energy: -73.222 flat angles C4'-P-C4' energy: -61.788 flat angles P-C4'-P energy: -28.821 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: 10 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -316.859590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.859590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.859590 (E_RNA) where: Base-Base interactions energy: -106.668 where: short stacking energy: -95.718 Base-Backbone interact. energy: -2.005 local terms energy: -208.186595 where: bonds (distance) C4'-P energy: -61.364 bonds (distance) P-C4' energy: -77.973 flat angles C4'-P-C4' energy: -44.274 flat angles P-C4'-P energy: -41.456 tors. eta vs tors. theta energy: 16.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -1383.227277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.227277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.227277 (E_RNA) where: Base-Base interactions energy: -962.271 where: short stacking energy: -400.602 Base-Backbone interact. energy: 1.762 local terms energy: -422.718488 where: bonds (distance) C4'-P energy: -81.150 bonds (distance) P-C4' energy: -81.284 flat angles C4'-P-C4' energy: -86.620 flat angles P-C4'-P energy: -54.550 tors. eta vs tors. theta energy: -119.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -1292.533850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.533850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.533850 (E_RNA) where: Base-Base interactions energy: -866.358 where: short stacking energy: -384.504 Base-Backbone interact. energy: -3.334 local terms energy: -422.842506 where: bonds (distance) C4'-P energy: -69.151 bonds (distance) P-C4' energy: -77.793 flat angles C4'-P-C4' energy: -86.463 flat angles P-C4'-P energy: -67.570 tors. eta vs tors. theta energy: -121.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -1267.025350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.025350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.025350 (E_RNA) where: Base-Base interactions energy: -861.563 where: short stacking energy: -366.716 Base-Backbone interact. energy: -2.538 local terms energy: -402.923744 where: bonds (distance) C4'-P energy: -67.616 bonds (distance) P-C4' energy: -76.542 flat angles C4'-P-C4' energy: -83.524 flat angles P-C4'-P energy: -58.120 tors. eta vs tors. theta energy: -117.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -1199.396754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.396754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.396754 (E_RNA) where: Base-Base interactions energy: -808.060 where: short stacking energy: -349.001 Base-Backbone interact. energy: -1.466 local terms energy: -389.870813 where: bonds (distance) C4'-P energy: -73.629 bonds (distance) P-C4' energy: -70.331 flat angles C4'-P-C4' energy: -87.794 flat angles P-C4'-P energy: -54.223 tors. eta vs tors. theta energy: -103.895 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: 5, replica: 8 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -1156.881112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.881112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.881112 (E_RNA) where: Base-Base interactions energy: -766.385 where: short stacking energy: -343.914 Base-Backbone interact. energy: -1.338 local terms energy: -389.158259 where: bonds (distance) C4'-P energy: -70.087 bonds (distance) P-C4' energy: -66.907 flat angles C4'-P-C4' energy: -92.307 flat angles P-C4'-P energy: -57.326 tors. eta vs tors. theta energy: -102.531 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: 6 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -973.328091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.328091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.328091 (E_RNA) where: Base-Base interactions energy: -636.881 where: short stacking energy: -265.504 Base-Backbone interact. energy: 0.648 local terms energy: -337.095374 where: bonds (distance) C4'-P energy: -71.013 bonds (distance) P-C4' energy: -64.152 flat angles C4'-P-C4' energy: -85.025 flat angles P-C4'-P energy: -45.847 tors. eta vs tors. theta energy: -71.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -972.790915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.790915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.790915 (E_RNA) where: Base-Base interactions energy: -640.982 where: short stacking energy: -279.314 Base-Backbone interact. energy: -1.456 local terms energy: -330.353469 where: bonds (distance) C4'-P energy: -67.810 bonds (distance) P-C4' energy: -63.294 flat angles C4'-P-C4' energy: -73.815 flat angles P-C4'-P energy: -50.517 tors. eta vs tors. theta energy: -74.917 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: 2 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -644.945359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.945359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.945359 (E_RNA) where: Base-Base interactions energy: -364.281 where: short stacking energy: -193.338 Base-Backbone interact. energy: -1.529 local terms energy: -279.135860 where: bonds (distance) C4'-P energy: -72.623 bonds (distance) P-C4' energy: -71.672 flat angles C4'-P-C4' energy: -62.466 flat angles P-C4'-P energy: -36.700 tors. eta vs tors. theta energy: -35.675 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: 10 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -387.780078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.780078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.780078 (E_RNA) where: Base-Base interactions energy: -163.260 where: short stacking energy: -118.995 Base-Backbone interact. energy: -1.289 local terms energy: -223.231654 where: bonds (distance) C4'-P energy: -55.440 bonds (distance) P-C4' energy: -67.363 flat angles C4'-P-C4' energy: -53.023 flat angles P-C4'-P energy: -42.439 tors. eta vs tors. theta energy: -4.966 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: 10, replica: 4 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -324.380428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.380428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.380428 (E_RNA) where: Base-Base interactions energy: -109.169 where: short stacking energy: -96.387 Base-Backbone interact. energy: 0.669 local terms energy: -215.880484 where: bonds (distance) C4'-P energy: -61.186 bonds (distance) P-C4' energy: -52.414 flat angles C4'-P-C4' energy: -61.137 flat angles P-C4'-P energy: -48.661 tors. eta vs tors. theta energy: 7.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -1368.707333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.707333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.707333 (E_RNA) where: Base-Base interactions energy: -924.808 where: short stacking energy: -405.412 Base-Backbone interact. energy: -4.465 local terms energy: -439.435058 where: bonds (distance) C4'-P energy: -84.175 bonds (distance) P-C4' energy: -85.882 flat angles C4'-P-C4' energy: -90.284 flat angles P-C4'-P energy: -59.305 tors. eta vs tors. theta energy: -119.789 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: 5 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -1292.927000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.927000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.927000 (E_RNA) where: Base-Base interactions energy: -874.919 where: short stacking energy: -377.992 Base-Backbone interact. energy: -0.591 local terms energy: -417.417534 where: bonds (distance) C4'-P energy: -87.376 bonds (distance) P-C4' energy: -64.683 flat angles C4'-P-C4' energy: -86.223 flat angles P-C4'-P energy: -65.568 tors. eta vs tors. theta energy: -113.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -1260.962041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.962041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.962041 (E_RNA) where: Base-Base interactions energy: -852.541 where: short stacking energy: -360.485 Base-Backbone interact. energy: -1.536 local terms energy: -406.885494 where: bonds (distance) C4'-P energy: -73.179 bonds (distance) P-C4' energy: -84.587 flat angles C4'-P-C4' energy: -89.122 flat angles P-C4'-P energy: -55.766 tors. eta vs tors. theta energy: -104.230 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: 8 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -1186.178174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.178174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.178174 (E_RNA) where: Base-Base interactions energy: -798.780 where: short stacking energy: -350.896 Base-Backbone interact. energy: -1.886 local terms energy: -385.511294 where: bonds (distance) C4'-P energy: -71.652 bonds (distance) P-C4' energy: -71.107 flat angles C4'-P-C4' energy: -79.065 flat angles P-C4'-P energy: -56.429 tors. eta vs tors. theta energy: -107.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -1188.547033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.547033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.547033 (E_RNA) where: Base-Base interactions energy: -795.117 where: short stacking energy: -368.300 Base-Backbone interact. energy: -0.872 local terms energy: -392.558012 where: bonds (distance) C4'-P energy: -56.663 bonds (distance) P-C4' energy: -73.058 flat angles C4'-P-C4' energy: -84.320 flat angles P-C4'-P energy: -63.231 tors. eta vs tors. theta energy: -115.286 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: 6 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -977.277512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.277512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.277512 (E_RNA) where: Base-Base interactions energy: -640.840 where: short stacking energy: -285.008 Base-Backbone interact. energy: 0.720 local terms energy: -337.157981 where: bonds (distance) C4'-P energy: -72.251 bonds (distance) P-C4' energy: -68.068 flat angles C4'-P-C4' energy: -75.608 flat angles P-C4'-P energy: -42.722 tors. eta vs tors. theta energy: -78.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -978.112127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.112127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.112127 (E_RNA) where: Base-Base interactions energy: -652.078 where: short stacking energy: -316.705 Base-Backbone interact. energy: -2.459 local terms energy: -323.575194 where: bonds (distance) C4'-P energy: -63.687 bonds (distance) P-C4' energy: -65.275 flat angles C4'-P-C4' energy: -69.434 flat angles P-C4'-P energy: -43.288 tors. eta vs tors. theta energy: -81.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -666.614149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.614149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.614149 (E_RNA) where: Base-Base interactions energy: -380.694 where: short stacking energy: -203.167 Base-Backbone interact. energy: -0.648 local terms energy: -285.272432 where: bonds (distance) C4'-P energy: -61.702 bonds (distance) P-C4' energy: -75.255 flat angles C4'-P-C4' energy: -64.452 flat angles P-C4'-P energy: -53.416 tors. eta vs tors. theta energy: -30.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -366.217264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.217264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.217264 (E_RNA) where: Base-Base interactions energy: -142.601 where: short stacking energy: -100.949 Base-Backbone interact. energy: 0.670 local terms energy: -224.285694 where: bonds (distance) C4'-P energy: -53.912 bonds (distance) P-C4' energy: -75.632 flat angles C4'-P-C4' energy: -65.470 flat angles P-C4'-P energy: -35.679 tors. eta vs tors. theta energy: 6.408 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: 10, replica: 4 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -328.656570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.656570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.656570 (E_RNA) where: Base-Base interactions energy: -127.593 where: short stacking energy: -108.178 Base-Backbone interact. energy: 4.417 local terms energy: -205.479876 where: bonds (distance) C4'-P energy: -53.783 bonds (distance) P-C4' energy: -71.445 flat angles C4'-P-C4' energy: -51.695 flat angles P-C4'-P energy: -34.957 tors. eta vs tors. theta energy: 6.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -1304.414269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.414269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.414269 (E_RNA) where: Base-Base interactions energy: -881.648 where: short stacking energy: -378.677 Base-Backbone interact. energy: -3.468 local terms energy: -419.298200 where: bonds (distance) C4'-P energy: -72.988 bonds (distance) P-C4' energy: -84.475 flat angles C4'-P-C4' energy: -89.570 flat angles P-C4'-P energy: -63.372 tors. eta vs tors. theta energy: -108.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -1368.099960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.099960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.099960 (E_RNA) where: Base-Base interactions energy: -953.489 where: short stacking energy: -393.373 Base-Backbone interact. energy: -2.708 local terms energy: -411.902696 where: bonds (distance) C4'-P energy: -81.201 bonds (distance) P-C4' energy: -76.856 flat angles C4'-P-C4' energy: -88.734 flat angles P-C4'-P energy: -51.931 tors. eta vs tors. theta energy: -113.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -1237.890217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.890217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.890217 (E_RNA) where: Base-Base interactions energy: -801.952 where: short stacking energy: -360.526 Base-Backbone interact. energy: -0.419 local terms energy: -435.518895 where: bonds (distance) C4'-P energy: -82.765 bonds (distance) P-C4' energy: -84.997 flat angles C4'-P-C4' energy: -91.094 flat angles P-C4'-P energy: -59.527 tors. eta vs tors. theta energy: -117.136 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: 298 Temperature: 1.050000 Total energy: -1211.032023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.032023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.032023 (E_RNA) where: Base-Base interactions energy: -806.388 where: short stacking energy: -353.702 Base-Backbone interact. energy: 1.112 local terms energy: -405.756210 where: bonds (distance) C4'-P energy: -81.008 bonds (distance) P-C4' energy: -70.674 flat angles C4'-P-C4' energy: -85.801 flat angles P-C4'-P energy: -58.432 tors. eta vs tors. theta energy: -109.842 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: 1 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -1147.504296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.504296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.504296 (E_RNA) where: Base-Base interactions energy: -771.789 where: short stacking energy: -349.519 Base-Backbone interact. energy: 0.363 local terms energy: -376.078146 where: bonds (distance) C4'-P energy: -77.090 bonds (distance) P-C4' energy: -80.728 flat angles C4'-P-C4' energy: -77.836 flat angles P-C4'-P energy: -49.372 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: 6, replica: 6 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -923.494986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.494986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.494986 (E_RNA) where: Base-Base interactions energy: -596.549 where: short stacking energy: -272.773 Base-Backbone interact. energy: 0.069 local terms energy: -327.014899 where: bonds (distance) C4'-P energy: -62.919 bonds (distance) P-C4' energy: -77.559 flat angles C4'-P-C4' energy: -75.373 flat angles P-C4'-P energy: -57.643 tors. eta vs tors. theta energy: -53.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -998.522670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.522670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.522670 (E_RNA) where: Base-Base interactions energy: -641.915 where: short stacking energy: -275.465 Base-Backbone interact. energy: -0.475 local terms energy: -356.132569 where: bonds (distance) C4'-P energy: -64.429 bonds (distance) P-C4' energy: -77.752 flat angles C4'-P-C4' energy: -85.289 flat angles P-C4'-P energy: -49.387 tors. eta vs tors. theta energy: -79.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -666.508259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.508259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.508259 (E_RNA) where: Base-Base interactions energy: -372.862 where: short stacking energy: -193.407 Base-Backbone interact. energy: 5.145 local terms energy: -298.791656 where: bonds (distance) C4'-P energy: -73.864 bonds (distance) P-C4' energy: -70.442 flat angles C4'-P-C4' energy: -78.749 flat angles P-C4'-P energy: -38.905 tors. eta vs tors. theta energy: -36.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -353.508301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.508301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.508301 (E_RNA) where: Base-Base interactions energy: -119.624 where: short stacking energy: -101.258 Base-Backbone interact. energy: -0.639 local terms energy: -233.245029 where: bonds (distance) C4'-P energy: -64.080 bonds (distance) P-C4' energy: -72.546 flat angles C4'-P-C4' energy: -56.651 flat angles P-C4'-P energy: -35.986 tors. eta vs tors. theta energy: -3.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -339.192761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.192761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.192761 (E_RNA) where: Base-Base interactions energy: -119.634 where: short stacking energy: -71.298 Base-Backbone interact. energy: 0.952 local terms energy: -220.510736 where: bonds (distance) C4'-P energy: -61.569 bonds (distance) P-C4' energy: -73.623 flat angles C4'-P-C4' energy: -59.825 flat angles P-C4'-P energy: -38.410 tors. eta vs tors. theta energy: 12.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -1340.591406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.591406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.591406 (E_RNA) where: Base-Base interactions energy: -889.061 where: short stacking energy: -399.294 Base-Backbone interact. energy: -0.988 local terms energy: -450.542659 where: bonds (distance) C4'-P energy: -77.209 bonds (distance) P-C4' energy: -88.717 flat angles C4'-P-C4' energy: -101.159 flat angles P-C4'-P energy: -71.953 tors. eta vs tors. theta energy: -111.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -1350.842661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.842661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.842661 (E_RNA) where: Base-Base interactions energy: -929.345 where: short stacking energy: -385.599 Base-Backbone interact. energy: -1.164 local terms energy: -420.333783 where: bonds (distance) C4'-P energy: -90.625 bonds (distance) P-C4' energy: -78.655 flat angles C4'-P-C4' energy: -86.320 flat angles P-C4'-P energy: -59.382 tors. eta vs tors. theta energy: -105.352 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: 8 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -1241.061580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.061580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.061580 (E_RNA) where: Base-Base interactions energy: -829.412 where: short stacking energy: -368.958 Base-Backbone interact. energy: -1.201 local terms energy: -410.448560 where: bonds (distance) C4'-P energy: -77.039 bonds (distance) P-C4' energy: -78.990 flat angles C4'-P-C4' energy: -76.119 flat angles P-C4'-P energy: -63.356 tors. eta vs tors. theta energy: -114.946 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: 299 Temperature: 1.050000 Total energy: -1169.612059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.612059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.612059 (E_RNA) where: Base-Base interactions energy: -784.928 where: short stacking energy: -356.760 Base-Backbone interact. energy: -1.602 local terms energy: -383.081416 where: bonds (distance) C4'-P energy: -72.954 bonds (distance) P-C4' energy: -71.126 flat angles C4'-P-C4' energy: -80.487 flat angles P-C4'-P energy: -60.814 tors. eta vs tors. theta energy: -97.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -1164.800445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.800445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.800445 (E_RNA) where: Base-Base interactions energy: -762.887 where: short stacking energy: -344.601 Base-Backbone interact. energy: -0.498 local terms energy: -401.415066 where: bonds (distance) C4'-P energy: -80.188 bonds (distance) P-C4' energy: -77.714 flat angles C4'-P-C4' energy: -85.216 flat angles P-C4'-P energy: -54.118 tors. eta vs tors. theta energy: -104.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -925.461348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.461348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.461348 (E_RNA) where: Base-Base interactions energy: -588.870 where: short stacking energy: -297.975 Base-Backbone interact. energy: -1.203 local terms energy: -335.388131 where: bonds (distance) C4'-P energy: -60.755 bonds (distance) P-C4' energy: -59.571 flat angles C4'-P-C4' energy: -76.448 flat angles P-C4'-P energy: -56.489 tors. eta vs tors. theta energy: -82.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -934.134422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.134422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.134422 (E_RNA) where: Base-Base interactions energy: -598.071 where: short stacking energy: -259.963 Base-Backbone interact. energy: -0.255 local terms energy: -335.808095 where: bonds (distance) C4'-P energy: -63.824 bonds (distance) P-C4' energy: -68.503 flat angles C4'-P-C4' energy: -74.518 flat angles P-C4'-P energy: -49.863 tors. eta vs tors. theta energy: -79.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -621.685735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.685735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.685735 (E_RNA) where: Base-Base interactions energy: -347.813 where: short stacking energy: -169.460 Base-Backbone interact. energy: 2.768 local terms energy: -276.641037 where: bonds (distance) C4'-P energy: -73.187 bonds (distance) P-C4' energy: -57.765 flat angles C4'-P-C4' energy: -74.316 flat angles P-C4'-P energy: -52.081 tors. eta vs tors. theta energy: -19.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -361.854878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.854878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.854878 (E_RNA) where: Base-Base interactions energy: -127.908 where: short stacking energy: -120.772 Base-Backbone interact. energy: 1.711 local terms energy: -235.658518 where: bonds (distance) C4'-P energy: -66.602 bonds (distance) P-C4' energy: -69.848 flat angles C4'-P-C4' energy: -62.093 flat angles P-C4'-P energy: -40.049 tors. eta vs tors. theta energy: 2.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -349.499371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.499371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.499371 (E_RNA) where: Base-Base interactions energy: -130.693 where: short stacking energy: -106.333 Base-Backbone interact. energy: 4.823 local terms energy: -223.628986 where: bonds (distance) C4'-P energy: -58.621 bonds (distance) P-C4' energy: -74.626 flat angles C4'-P-C4' energy: -73.532 flat angles P-C4'-P energy: -21.504 tors. eta vs tors. theta energy: 4.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -1402.184186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.184186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.184186 (E_RNA) where: Base-Base interactions energy: -965.053 where: short stacking energy: -407.601 Base-Backbone interact. energy: -1.782 local terms energy: -435.349107 where: bonds (distance) C4'-P energy: -69.715 bonds (distance) P-C4' energy: -93.425 flat angles C4'-P-C4' energy: -88.027 flat angles P-C4'-P energy: -67.612 tors. eta vs tors. theta energy: -116.570 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: 5 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -1266.125578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.125578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.125578 (E_RNA) where: Base-Base interactions energy: -850.630 where: short stacking energy: -376.667 Base-Backbone interact. energy: -0.425 local terms energy: -415.070347 where: bonds (distance) C4'-P energy: -84.536 bonds (distance) P-C4' energy: -76.858 flat angles C4'-P-C4' energy: -85.187 flat angles P-C4'-P energy: -60.193 tors. eta vs tors. theta energy: -108.296 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: 8 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -1258.476671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.476671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.476671 (E_RNA) where: Base-Base interactions energy: -830.346 where: short stacking energy: -379.087 Base-Backbone interact. energy: -2.151 local terms energy: -425.979595 where: bonds (distance) C4'-P energy: -78.100 bonds (distance) P-C4' energy: -82.632 flat angles C4'-P-C4' energy: -89.425 flat angles P-C4'-P energy: -58.402 tors. eta vs tors. theta energy: -117.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -1158.576681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.576681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.576681 (E_RNA) where: Base-Base interactions energy: -775.623 where: short stacking energy: -329.583 Base-Backbone interact. energy: -0.309 local terms energy: -382.644357 where: bonds (distance) C4'-P energy: -75.994 bonds (distance) P-C4' energy: -74.253 flat angles C4'-P-C4' energy: -85.421 flat angles P-C4'-P energy: -53.973 tors. eta vs tors. theta energy: -93.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -1139.917469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.917469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.917469 (E_RNA) where: Base-Base interactions energy: -761.899 where: short stacking energy: -324.956 Base-Backbone interact. energy: -1.295 local terms energy: -376.722899 where: bonds (distance) C4'-P energy: -73.798 bonds (distance) P-C4' energy: -78.103 flat angles C4'-P-C4' energy: -82.577 flat angles P-C4'-P energy: -50.778 tors. eta vs tors. theta energy: -91.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -937.123150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.123150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.123150 (E_RNA) where: Base-Base interactions energy: -623.004 where: short stacking energy: -309.105 Base-Backbone interact. energy: 2.197 local terms energy: -316.315860 where: bonds (distance) C4'-P energy: -63.055 bonds (distance) P-C4' energy: -70.116 flat angles C4'-P-C4' energy: -66.225 flat angles P-C4'-P energy: -41.304 tors. eta vs tors. theta energy: -75.616 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: 300 Temperature: 1.200000 Total energy: -928.770916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.770916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.770916 (E_RNA) where: Base-Base interactions energy: -602.437 where: short stacking energy: -271.376 Base-Backbone interact. energy: -1.317 local terms energy: -325.016174 where: bonds (distance) C4'-P energy: -64.714 bonds (distance) P-C4' energy: -69.319 flat angles C4'-P-C4' energy: -71.111 flat angles P-C4'-P energy: -50.139 tors. eta vs tors. theta energy: -69.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -640.211344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.211344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.211344 (E_RNA) where: Base-Base interactions energy: -383.100 where: short stacking energy: -180.616 Base-Backbone interact. energy: 2.019 local terms energy: -259.130165 where: bonds (distance) C4'-P energy: -72.900 bonds (distance) P-C4' energy: -68.605 flat angles C4'-P-C4' energy: -59.280 flat angles P-C4'-P energy: -38.353 tors. eta vs tors. theta energy: -19.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -419.541537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.541537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.541537 (E_RNA) where: Base-Base interactions energy: -185.918 where: short stacking energy: -126.037 Base-Backbone interact. energy: 1.351 local terms energy: -234.974184 where: bonds (distance) C4'-P energy: -51.808 bonds (distance) P-C4' energy: -79.346 flat angles C4'-P-C4' energy: -64.995 flat angles P-C4'-P energy: -25.472 tors. eta vs tors. theta energy: -13.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -320.009019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.009019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.009019 (E_RNA) where: Base-Base interactions energy: -119.280 where: short stacking energy: -85.583 Base-Backbone interact. energy: -1.834 local terms energy: -198.895296 where: bonds (distance) C4'-P energy: -53.463 bonds (distance) P-C4' energy: -75.296 flat angles C4'-P-C4' energy: -59.580 flat angles P-C4'-P energy: -39.246 tors. eta vs tors. theta energy: 28.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -1420.014113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.014113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.014113 (E_RNA) where: Base-Base interactions energy: -984.563 where: short stacking energy: -400.851 Base-Backbone interact. energy: -2.219 local terms energy: -433.231582 where: bonds (distance) C4'-P energy: -80.799 bonds (distance) P-C4' energy: -84.338 flat angles C4'-P-C4' energy: -89.324 flat angles P-C4'-P energy: -61.343 tors. eta vs tors. theta energy: -117.428 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: 5 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -1320.363643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.363643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.363643 (E_RNA) where: Base-Base interactions energy: -876.758 where: short stacking energy: -387.778 Base-Backbone interact. energy: 0.897 local terms energy: -444.502930 where: bonds (distance) C4'-P energy: -77.674 bonds (distance) P-C4' energy: -95.870 flat angles C4'-P-C4' energy: -87.639 flat angles P-C4'-P energy: -62.922 tors. eta vs tors. theta energy: -120.398 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: 8 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -1244.085197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.085197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.085197 (E_RNA) where: Base-Base interactions energy: -844.426 where: short stacking energy: -383.033 Base-Backbone interact. energy: -1.356 local terms energy: -398.302481 where: bonds (distance) C4'-P energy: -86.319 bonds (distance) P-C4' energy: -63.556 flat angles C4'-P-C4' energy: -77.819 flat angles P-C4'-P energy: -55.449 tors. eta vs tors. theta energy: -115.160 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: 1 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -1177.192628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.192628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.192628 (E_RNA) where: Base-Base interactions energy: -793.947 where: short stacking energy: -347.761 Base-Backbone interact. energy: -0.436 local terms energy: -382.809468 where: bonds (distance) C4'-P energy: -63.446 bonds (distance) P-C4' energy: -80.601 flat angles C4'-P-C4' energy: -83.736 flat angles P-C4'-P energy: -53.739 tors. eta vs tors. theta energy: -101.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -1148.762255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.762255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.762255 (E_RNA) where: Base-Base interactions energy: -778.055 where: short stacking energy: -355.533 Base-Backbone interact. energy: -1.452 local terms energy: -369.254704 where: bonds (distance) C4'-P energy: -62.526 bonds (distance) P-C4' energy: -71.265 flat angles C4'-P-C4' energy: -83.799 flat angles P-C4'-P energy: -54.352 tors. eta vs tors. theta energy: -97.313 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: 6, replica: 7 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -984.890039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.890039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.890039 (E_RNA) where: Base-Base interactions energy: -645.185 where: short stacking energy: -258.583 Base-Backbone interact. energy: 0.440 local terms energy: -340.145673 where: bonds (distance) C4'-P energy: -65.963 bonds (distance) P-C4' energy: -77.327 flat angles C4'-P-C4' energy: -60.872 flat angles P-C4'-P energy: -65.596 tors. eta vs tors. theta energy: -70.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -895.789142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.789142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.789142 (E_RNA) where: Base-Base interactions energy: -570.959 where: short stacking energy: -266.765 Base-Backbone interact. energy: -0.281 local terms energy: -324.548677 where: bonds (distance) C4'-P energy: -66.390 bonds (distance) P-C4' energy: -74.629 flat angles C4'-P-C4' energy: -67.096 flat angles P-C4'-P energy: -53.840 tors. eta vs tors. theta energy: -62.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -641.567104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.567104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.567104 (E_RNA) where: Base-Base interactions energy: -362.413 where: short stacking energy: -186.553 Base-Backbone interact. energy: 8.093 local terms energy: -287.247137 where: bonds (distance) C4'-P energy: -69.299 bonds (distance) P-C4' energy: -69.058 flat angles C4'-P-C4' energy: -77.263 flat angles P-C4'-P energy: -40.601 tors. eta vs tors. theta energy: -31.026 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: 10 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -403.290436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.290436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.290436 (E_RNA) where: Base-Base interactions energy: -156.509 where: short stacking energy: -102.436 Base-Backbone interact. energy: -1.463 local terms energy: -245.318257 where: bonds (distance) C4'-P energy: -60.924 bonds (distance) P-C4' energy: -80.430 flat angles C4'-P-C4' energy: -73.889 flat angles P-C4'-P energy: -40.429 tors. eta vs tors. theta energy: 10.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -333.370742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.370742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.370742 (E_RNA) where: Base-Base interactions energy: -137.813 where: short stacking energy: -91.354 Base-Backbone interact. energy: -0.762 local terms energy: -194.795352 where: bonds (distance) C4'-P energy: -61.103 bonds (distance) P-C4' energy: -68.050 flat angles C4'-P-C4' energy: -55.458 flat angles P-C4'-P energy: -31.274 tors. eta vs tors. theta energy: 21.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -1412.744500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.744500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.744500 (E_RNA) where: Base-Base interactions energy: -966.172 where: short stacking energy: -417.896 Base-Backbone interact. energy: -1.626 local terms energy: -444.947224 where: bonds (distance) C4'-P energy: -73.071 bonds (distance) P-C4' energy: -89.085 flat angles C4'-P-C4' energy: -97.379 flat angles P-C4'-P energy: -63.944 tors. eta vs tors. theta energy: -121.468 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: 5 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -1295.547827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.547827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.547827 (E_RNA) where: Base-Base interactions energy: -881.118 where: short stacking energy: -401.179 Base-Backbone interact. energy: -0.934 local terms energy: -413.495192 where: bonds (distance) C4'-P energy: -71.520 bonds (distance) P-C4' energy: -90.073 flat angles C4'-P-C4' energy: -84.858 flat angles P-C4'-P energy: -47.315 tors. eta vs tors. theta energy: -119.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -1250.278548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.278548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.278548 (E_RNA) where: Base-Base interactions energy: -829.276 where: short stacking energy: -378.036 Base-Backbone interact. energy: -0.717 local terms energy: -420.285709 where: bonds (distance) C4'-P energy: -79.138 bonds (distance) P-C4' energy: -84.039 flat angles C4'-P-C4' energy: -87.724 flat angles P-C4'-P energy: -54.714 tors. eta vs tors. theta energy: -114.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -1180.842811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.842811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.842811 (E_RNA) where: Base-Base interactions energy: -786.767 where: short stacking energy: -343.748 Base-Backbone interact. energy: -2.188 local terms energy: -391.887783 where: bonds (distance) C4'-P energy: -65.634 bonds (distance) P-C4' energy: -77.557 flat angles C4'-P-C4' energy: -85.132 flat angles P-C4'-P energy: -63.200 tors. eta vs tors. theta energy: -100.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -1147.689689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.689689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.689689 (E_RNA) where: Base-Base interactions energy: -770.992 where: short stacking energy: -321.162 Base-Backbone interact. energy: -1.202 local terms energy: -375.495906 where: bonds (distance) C4'-P energy: -71.652 bonds (distance) P-C4' energy: -76.197 flat angles C4'-P-C4' energy: -76.236 flat angles P-C4'-P energy: -56.618 tors. eta vs tors. theta energy: -94.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -984.013726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.013726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.013726 (E_RNA) where: Base-Base interactions energy: -658.553 where: short stacking energy: -298.683 Base-Backbone interact. energy: -0.412 local terms energy: -325.049366 where: bonds (distance) C4'-P energy: -64.842 bonds (distance) P-C4' energy: -63.126 flat angles C4'-P-C4' energy: -75.294 flat angles P-C4'-P energy: -45.834 tors. eta vs tors. theta energy: -75.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -893.604688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.604688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.604688 (E_RNA) where: Base-Base interactions energy: -589.456 where: short stacking energy: -264.717 Base-Backbone interact. energy: -0.655 local terms energy: -303.493704 where: bonds (distance) C4'-P energy: -60.050 bonds (distance) P-C4' energy: -60.179 flat angles C4'-P-C4' energy: -76.385 flat angles P-C4'-P energy: -43.667 tors. eta vs tors. theta energy: -63.213 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: 8, replica: 2 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -658.857514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.857514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.857514 (E_RNA) where: Base-Base interactions energy: -375.663 where: short stacking energy: -197.281 Base-Backbone interact. energy: -0.950 local terms energy: -282.243983 where: bonds (distance) C4'-P energy: -59.581 bonds (distance) P-C4' energy: -75.686 flat angles C4'-P-C4' energy: -58.175 flat angles P-C4'-P energy: -45.734 tors. eta vs tors. theta energy: -43.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -401.574735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.574735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.574735 (E_RNA) where: Base-Base interactions energy: -173.447 where: short stacking energy: -95.299 Base-Backbone interact. energy: -0.101 local terms energy: -228.026557 where: bonds (distance) C4'-P energy: -71.557 bonds (distance) P-C4' energy: -67.572 flat angles C4'-P-C4' energy: -61.728 flat angles P-C4'-P energy: -33.281 tors. eta vs tors. theta energy: 6.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -348.405461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.405461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.405461 (E_RNA) where: Base-Base interactions energy: -136.428 where: short stacking energy: -104.607 Base-Backbone interact. energy: -3.122 local terms energy: -208.855990 where: bonds (distance) C4'-P energy: -56.915 bonds (distance) P-C4' energy: -73.944 flat angles C4'-P-C4' energy: -61.097 flat angles P-C4'-P energy: -27.269 tors. eta vs tors. theta energy: 10.369 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: 3 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -1402.846827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.846827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.846827 (E_RNA) where: Base-Base interactions energy: -955.844 where: short stacking energy: -405.415 Base-Backbone interact. energy: -5.103 local terms energy: -441.900370 where: bonds (distance) C4'-P energy: -90.394 bonds (distance) P-C4' energy: -81.185 flat angles C4'-P-C4' energy: -86.610 flat angles P-C4'-P energy: -63.384 tors. eta vs tors. theta energy: -120.327 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: 2, replica: 5 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -1301.540328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.540328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.540328 (E_RNA) where: Base-Base interactions energy: -878.403 where: short stacking energy: -385.631 Base-Backbone interact. energy: -0.474 local terms energy: -422.663445 where: bonds (distance) C4'-P energy: -79.195 bonds (distance) P-C4' energy: -75.200 flat angles C4'-P-C4' energy: -95.618 flat angles P-C4'-P energy: -65.060 tors. eta vs tors. theta energy: -107.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -1220.580881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.580881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.580881 (E_RNA) where: Base-Base interactions energy: -805.524 where: short stacking energy: -341.211 Base-Backbone interact. energy: -0.679 local terms energy: -414.377206 where: bonds (distance) C4'-P energy: -75.920 bonds (distance) P-C4' energy: -79.107 flat angles C4'-P-C4' energy: -91.883 flat angles P-C4'-P energy: -60.654 tors. eta vs tors. theta energy: -106.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -1181.679638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.679638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.679638 (E_RNA) where: Base-Base interactions energy: -796.671 where: short stacking energy: -332.771 Base-Backbone interact. energy: -1.076 local terms energy: -383.931778 where: bonds (distance) C4'-P energy: -77.654 bonds (distance) P-C4' energy: -82.684 flat angles C4'-P-C4' energy: -77.129 flat angles P-C4'-P energy: -58.151 tors. eta vs tors. theta energy: -88.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -1149.290753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.290753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.290753 (E_RNA) where: Base-Base interactions energy: -787.462 where: short stacking energy: -343.288 Base-Backbone interact. energy: -1.510 local terms energy: -360.319380 where: bonds (distance) C4'-P energy: -71.735 bonds (distance) P-C4' energy: -65.484 flat angles C4'-P-C4' energy: -73.485 flat angles P-C4'-P energy: -51.538 tors. eta vs tors. theta energy: -98.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -1000.152891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.152891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.152891 (E_RNA) where: Base-Base interactions energy: -666.262 where: short stacking energy: -281.652 Base-Backbone interact. energy: -2.371 local terms energy: -331.520219 where: bonds (distance) C4'-P energy: -66.664 bonds (distance) P-C4' energy: -74.036 flat angles C4'-P-C4' energy: -63.900 flat angles P-C4'-P energy: -55.752 tors. eta vs tors. theta energy: -71.169 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: 6 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -901.716672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.716672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.716672 (E_RNA) where: Base-Base interactions energy: -561.611 where: short stacking energy: -251.265 Base-Backbone interact. energy: -0.857 local terms energy: -339.249623 where: bonds (distance) C4'-P energy: -72.591 bonds (distance) P-C4' energy: -78.002 flat angles C4'-P-C4' energy: -73.615 flat angles P-C4'-P energy: -50.936 tors. eta vs tors. theta energy: -64.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -680.665964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.665964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.665964 (E_RNA) where: Base-Base interactions energy: -384.078 where: short stacking energy: -207.001 Base-Backbone interact. energy: -2.886 local terms energy: -293.702416 where: bonds (distance) C4'-P energy: -68.056 bonds (distance) P-C4' energy: -73.942 flat angles C4'-P-C4' energy: -71.621 flat angles P-C4'-P energy: -40.800 tors. eta vs tors. theta energy: -39.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -395.119734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.119734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.119734 (E_RNA) where: Base-Base interactions energy: -188.391 where: short stacking energy: -130.184 Base-Backbone interact. energy: 1.380 local terms energy: -208.108706 where: bonds (distance) C4'-P energy: -55.214 bonds (distance) P-C4' energy: -67.806 flat angles C4'-P-C4' energy: -63.530 flat angles P-C4'-P energy: -31.489 tors. eta vs tors. theta energy: 9.930 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: 4 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -394.520935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.520935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.520935 (E_RNA) where: Base-Base interactions energy: -152.750 where: short stacking energy: -106.865 Base-Backbone interact. energy: -0.260 local terms energy: -241.510572 where: bonds (distance) C4'-P energy: -75.845 bonds (distance) P-C4' energy: -73.363 flat angles C4'-P-C4' energy: -66.623 flat angles P-C4'-P energy: -22.175 tors. eta vs tors. theta energy: -3.504 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: 3 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -1386.683785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.683785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.683785 (E_RNA) where: Base-Base interactions energy: -955.360 where: short stacking energy: -388.335 Base-Backbone interact. energy: 5.458 local terms energy: -436.780947 where: bonds (distance) C4'-P energy: -86.391 bonds (distance) P-C4' energy: -79.913 flat angles C4'-P-C4' energy: -95.820 flat angles P-C4'-P energy: -63.373 tors. eta vs tors. theta energy: -111.284 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: 5 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -1312.545732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.545732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.545732 (E_RNA) where: Base-Base interactions energy: -885.537 where: short stacking energy: -394.461 Base-Backbone interact. energy: 0.395 local terms energy: -427.403679 where: bonds (distance) C4'-P energy: -80.629 bonds (distance) P-C4' energy: -80.656 flat angles C4'-P-C4' energy: -84.155 flat angles P-C4'-P energy: -60.305 tors. eta vs tors. theta energy: -121.659 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: 3, replica: 8 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -1224.932740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.932740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.932740 (E_RNA) where: Base-Base interactions energy: -836.151 where: short stacking energy: -357.716 Base-Backbone interact. energy: -1.265 local terms energy: -387.515982 where: bonds (distance) C4'-P energy: -70.026 bonds (distance) P-C4' energy: -66.418 flat angles C4'-P-C4' energy: -92.725 flat angles P-C4'-P energy: -56.400 tors. eta vs tors. theta energy: -101.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -1162.349782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.349782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.349782 (E_RNA) where: Base-Base interactions energy: -770.084 where: short stacking energy: -314.937 Base-Backbone interact. energy: -2.280 local terms energy: -389.985712 where: bonds (distance) C4'-P energy: -79.643 bonds (distance) P-C4' energy: -78.377 flat angles C4'-P-C4' energy: -81.828 flat angles P-C4'-P energy: -54.731 tors. eta vs tors. theta energy: -95.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -1147.747759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.747759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.747759 (E_RNA) where: Base-Base interactions energy: -777.667 where: short stacking energy: -334.693 Base-Backbone interact. energy: -1.279 local terms energy: -368.801863 where: bonds (distance) C4'-P energy: -57.053 bonds (distance) P-C4' energy: -83.235 flat angles C4'-P-C4' energy: -81.804 flat angles P-C4'-P energy: -44.571 tors. eta vs tors. theta energy: -102.138 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: 7 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -1018.933441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.933441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.933441 (E_RNA) where: Base-Base interactions energy: -685.413 where: short stacking energy: -311.837 Base-Backbone interact. energy: -1.005 local terms energy: -332.515516 where: bonds (distance) C4'-P energy: -67.107 bonds (distance) P-C4' energy: -68.013 flat angles C4'-P-C4' energy: -76.478 flat angles P-C4'-P energy: -45.651 tors. eta vs tors. theta energy: -75.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -862.617539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.617539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.617539 (E_RNA) where: Base-Base interactions energy: -568.391 where: short stacking energy: -235.081 Base-Backbone interact. energy: -2.419 local terms energy: -291.807741 where: bonds (distance) C4'-P energy: -48.541 bonds (distance) P-C4' energy: -77.073 flat angles C4'-P-C4' energy: -76.581 flat angles P-C4'-P energy: -45.965 tors. eta vs tors. theta energy: -43.647 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: 2 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -668.657008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.657008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.657008 (E_RNA) where: Base-Base interactions energy: -389.944 where: short stacking energy: -210.205 Base-Backbone interact. energy: 0.911 local terms energy: -279.624495 where: bonds (distance) C4'-P energy: -62.968 bonds (distance) P-C4' energy: -75.689 flat angles C4'-P-C4' energy: -77.440 flat angles P-C4'-P energy: -31.695 tors. eta vs tors. theta energy: -31.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -390.493652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.493652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.493652 (E_RNA) where: Base-Base interactions energy: -166.388 where: short stacking energy: -113.279 Base-Backbone interact. energy: 4.454 local terms energy: -228.559828 where: bonds (distance) C4'-P energy: -66.395 bonds (distance) P-C4' energy: -79.505 flat angles C4'-P-C4' energy: -67.937 flat angles P-C4'-P energy: -30.216 tors. eta vs tors. theta energy: 15.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -372.749561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.749561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.749561 (E_RNA) where: Base-Base interactions energy: -130.585 where: short stacking energy: -99.016 Base-Backbone interact. energy: -0.629 local terms energy: -241.535371 where: bonds (distance) C4'-P energy: -64.220 bonds (distance) P-C4' energy: -74.359 flat angles C4'-P-C4' energy: -58.966 flat angles P-C4'-P energy: -45.512 tors. eta vs tors. theta energy: 1.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -1423.088928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.088928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.088928 (E_RNA) where: Base-Base interactions energy: -1000.837 where: short stacking energy: -417.234 Base-Backbone interact. energy: -4.015 local terms energy: -418.237510 where: bonds (distance) C4'-P energy: -71.208 bonds (distance) P-C4' energy: -80.026 flat angles C4'-P-C4' energy: -86.066 flat angles P-C4'-P energy: -60.216 tors. eta vs tors. theta energy: -120.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -1303.684462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.684462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.684462 (E_RNA) where: Base-Base interactions energy: -887.877 where: short stacking energy: -392.689 Base-Backbone interact. energy: -1.092 local terms energy: -414.715316 where: bonds (distance) C4'-P energy: -64.645 bonds (distance) P-C4' energy: -80.561 flat angles C4'-P-C4' energy: -81.039 flat angles P-C4'-P energy: -63.847 tors. eta vs tors. theta energy: -124.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -1236.121396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.121396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.121396 (E_RNA) where: Base-Base interactions energy: -816.618 where: short stacking energy: -340.835 Base-Backbone interact. energy: -4.100 local terms energy: -415.403320 where: bonds (distance) C4'-P energy: -76.840 bonds (distance) P-C4' energy: -94.286 flat angles C4'-P-C4' energy: -85.831 flat angles P-C4'-P energy: -51.616 tors. eta vs tors. theta energy: -106.831 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: 1 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -1143.776901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.776901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.776901 (E_RNA) where: Base-Base interactions energy: -745.869 where: short stacking energy: -352.629 Base-Backbone interact. energy: -2.168 local terms energy: -395.740161 where: bonds (distance) C4'-P energy: -75.082 bonds (distance) P-C4' energy: -81.767 flat angles C4'-P-C4' energy: -83.214 flat angles P-C4'-P energy: -52.017 tors. eta vs tors. theta energy: -103.660 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: 305 Temperature: 1.100000 Total energy: -1131.735007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.735007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.735007 (E_RNA) where: Base-Base interactions energy: -747.355 where: short stacking energy: -333.280 Base-Backbone interact. energy: -3.049 local terms energy: -381.330590 where: bonds (distance) C4'-P energy: -73.363 bonds (distance) P-C4' energy: -86.289 flat angles C4'-P-C4' energy: -83.836 flat angles P-C4'-P energy: -46.320 tors. eta vs tors. theta energy: -91.523 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: 305 Temperature: 1.150000 Total energy: -1020.941403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.941403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.941403 (E_RNA) where: Base-Base interactions energy: -645.409 where: short stacking energy: -282.077 Base-Backbone interact. energy: 0.162 local terms energy: -375.693822 where: bonds (distance) C4'-P energy: -78.159 bonds (distance) P-C4' energy: -66.321 flat angles C4'-P-C4' energy: -86.586 flat angles P-C4'-P energy: -59.343 tors. eta vs tors. theta energy: -85.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -908.463485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.463485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.463485 (E_RNA) where: Base-Base interactions energy: -573.359 where: short stacking energy: -274.346 Base-Backbone interact. energy: -1.868 local terms energy: -333.236495 where: bonds (distance) C4'-P energy: -63.699 bonds (distance) P-C4' energy: -67.098 flat angles C4'-P-C4' energy: -75.151 flat angles P-C4'-P energy: -49.871 tors. eta vs tors. theta energy: -77.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -644.975914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.975914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.975914 (E_RNA) where: Base-Base interactions energy: -345.031 where: short stacking energy: -170.826 Base-Backbone interact. energy: -1.317 local terms energy: -298.628288 where: bonds (distance) C4'-P energy: -73.921 bonds (distance) P-C4' energy: -76.804 flat angles C4'-P-C4' energy: -86.096 flat angles P-C4'-P energy: -33.159 tors. eta vs tors. theta energy: -28.648 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: 4 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -471.290098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.290098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.290098 (E_RNA) where: Base-Base interactions energy: -224.294 where: short stacking energy: -140.034 Base-Backbone interact. energy: -0.084 local terms energy: -246.911807 where: bonds (distance) C4'-P energy: -71.070 bonds (distance) P-C4' energy: -78.635 flat angles C4'-P-C4' energy: -65.250 flat angles P-C4'-P energy: -30.084 tors. eta vs tors. theta energy: -1.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -339.826791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.826791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.826791 (E_RNA) where: Base-Base interactions energy: -118.691 where: short stacking energy: -99.042 Base-Backbone interact. energy: -1.302 local terms energy: -219.833606 where: bonds (distance) C4'-P energy: -53.561 bonds (distance) P-C4' energy: -87.713 flat angles C4'-P-C4' energy: -49.614 flat angles P-C4'-P energy: -34.552 tors. eta vs tors. theta energy: 5.606 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: 3 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -1382.872976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.872976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.872976 (E_RNA) where: Base-Base interactions energy: -954.311 where: short stacking energy: -397.101 Base-Backbone interact. energy: 1.907 local terms energy: -430.469359 where: bonds (distance) C4'-P energy: -87.341 bonds (distance) P-C4' energy: -80.952 flat angles C4'-P-C4' energy: -87.820 flat angles P-C4'-P energy: -64.272 tors. eta vs tors. theta energy: -110.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -1289.848890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.848890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.848890 (E_RNA) where: Base-Base interactions energy: -847.708 where: short stacking energy: -385.587 Base-Backbone interact. energy: -0.319 local terms energy: -441.821861 where: bonds (distance) C4'-P energy: -87.688 bonds (distance) P-C4' energy: -84.988 flat angles C4'-P-C4' energy: -84.011 flat angles P-C4'-P energy: -65.282 tors. eta vs tors. theta energy: -119.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -1272.507599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.507599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.507599 (E_RNA) where: Base-Base interactions energy: -862.953 where: short stacking energy: -384.395 Base-Backbone interact. energy: -0.848 local terms energy: -408.706145 where: bonds (distance) C4'-P energy: -69.584 bonds (distance) P-C4' energy: -71.395 flat angles C4'-P-C4' energy: -87.490 flat angles P-C4'-P energy: -64.202 tors. eta vs tors. theta energy: -116.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -1148.006810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.006810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.006810 (E_RNA) where: Base-Base interactions energy: -745.874 where: short stacking energy: -333.418 Base-Backbone interact. energy: -2.087 local terms energy: -400.045205 where: bonds (distance) C4'-P energy: -82.497 bonds (distance) P-C4' energy: -69.740 flat angles C4'-P-C4' energy: -88.923 flat angles P-C4'-P energy: -66.037 tors. eta vs tors. theta energy: -92.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -1164.164926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.164926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.164926 (E_RNA) where: Base-Base interactions energy: -781.089 where: short stacking energy: -338.635 Base-Backbone interact. energy: -2.007 local terms energy: -381.068189 where: bonds (distance) C4'-P energy: -74.767 bonds (distance) P-C4' energy: -78.935 flat angles C4'-P-C4' energy: -84.792 flat angles P-C4'-P energy: -36.475 tors. eta vs tors. theta energy: -106.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -1056.568187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.568187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.568187 (E_RNA) where: Base-Base interactions energy: -692.721 where: short stacking energy: -310.660 Base-Backbone interact. energy: -2.095 local terms energy: -361.752371 where: bonds (distance) C4'-P energy: -81.274 bonds (distance) P-C4' energy: -59.173 flat angles C4'-P-C4' energy: -81.383 flat angles P-C4'-P energy: -51.927 tors. eta vs tors. theta energy: -87.996 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: 6 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -947.495040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.495040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.495040 (E_RNA) where: Base-Base interactions energy: -603.392 where: short stacking energy: -270.399 Base-Backbone interact. energy: 1.661 local terms energy: -345.763185 where: bonds (distance) C4'-P energy: -66.340 bonds (distance) P-C4' energy: -67.150 flat angles C4'-P-C4' energy: -85.308 flat angles P-C4'-P energy: -56.383 tors. eta vs tors. theta energy: -70.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -631.172684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.172684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.172684 (E_RNA) where: Base-Base interactions energy: -359.930 where: short stacking energy: -190.879 Base-Backbone interact. energy: 4.282 local terms energy: -275.524115 where: bonds (distance) C4'-P energy: -66.582 bonds (distance) P-C4' energy: -64.064 flat angles C4'-P-C4' energy: -61.111 flat angles P-C4'-P energy: -47.887 tors. eta vs tors. theta energy: -35.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -477.223073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.223073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.223073 (E_RNA) where: Base-Base interactions energy: -254.071 where: short stacking energy: -136.229 Base-Backbone interact. energy: -0.156 local terms energy: -222.996048 where: bonds (distance) C4'-P energy: -45.525 bonds (distance) P-C4' energy: -68.166 flat angles C4'-P-C4' energy: -63.095 flat angles P-C4'-P energy: -36.035 tors. eta vs tors. theta energy: -10.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -383.275594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.275594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.275594 (E_RNA) where: Base-Base interactions energy: -145.718 where: short stacking energy: -90.003 Base-Backbone interact. energy: -0.219 local terms energy: -237.337936 where: bonds (distance) C4'-P energy: -81.385 bonds (distance) P-C4' energy: -65.477 flat angles C4'-P-C4' energy: -60.643 flat angles P-C4'-P energy: -30.320 tors. eta vs tors. theta energy: 0.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -1382.342275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.342275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.342275 (E_RNA) where: Base-Base interactions energy: -990.681 where: short stacking energy: -397.683 Base-Backbone interact. energy: 8.284 local terms energy: -399.944827 where: bonds (distance) C4'-P energy: -75.322 bonds (distance) P-C4' energy: -73.855 flat angles C4'-P-C4' energy: -89.629 flat angles P-C4'-P energy: -51.839 tors. eta vs tors. theta energy: -109.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -1305.252395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.252395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.252395 (E_RNA) where: Base-Base interactions energy: -893.501 where: short stacking energy: -407.456 Base-Backbone interact. energy: -1.008 local terms energy: -410.742619 where: bonds (distance) C4'-P energy: -81.694 bonds (distance) P-C4' energy: -82.034 flat angles C4'-P-C4' energy: -74.162 flat angles P-C4'-P energy: -57.017 tors. eta vs tors. theta energy: -115.836 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: 5 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -1243.294544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.294544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.294544 (E_RNA) where: Base-Base interactions energy: -842.575 where: short stacking energy: -364.897 Base-Backbone interact. energy: -1.481 local terms energy: -399.238094 where: bonds (distance) C4'-P energy: -77.870 bonds (distance) P-C4' energy: -72.026 flat angles C4'-P-C4' energy: -85.295 flat angles P-C4'-P energy: -54.728 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: 1 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -1182.099898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.099898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.099898 (E_RNA) where: Base-Base interactions energy: -810.081 where: short stacking energy: -352.145 Base-Backbone interact. energy: -1.424 local terms energy: -370.595020 where: bonds (distance) C4'-P energy: -68.778 bonds (distance) P-C4' energy: -65.941 flat angles C4'-P-C4' energy: -83.234 flat angles P-C4'-P energy: -51.732 tors. eta vs tors. theta energy: -100.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -1123.628757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.628757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.628757 (E_RNA) where: Base-Base interactions energy: -744.613 where: short stacking energy: -325.438 Base-Backbone interact. energy: 0.579 local terms energy: -379.595263 where: bonds (distance) C4'-P energy: -75.287 bonds (distance) P-C4' energy: -73.541 flat angles C4'-P-C4' energy: -84.622 flat angles P-C4'-P energy: -57.151 tors. eta vs tors. theta energy: -88.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -1065.415753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.415753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.415753 (E_RNA) where: Base-Base interactions energy: -707.136 where: short stacking energy: -323.510 Base-Backbone interact. energy: -1.030 local terms energy: -357.250216 where: bonds (distance) C4'-P energy: -75.687 bonds (distance) P-C4' energy: -62.068 flat angles C4'-P-C4' energy: -86.819 flat angles P-C4'-P energy: -47.316 tors. eta vs tors. theta energy: -85.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -844.952583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.952583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.952583 (E_RNA) where: Base-Base interactions energy: -543.945 where: short stacking energy: -235.407 Base-Backbone interact. energy: 3.182 local terms energy: -304.189684 where: bonds (distance) C4'-P energy: -80.812 bonds (distance) P-C4' energy: -66.326 flat angles C4'-P-C4' energy: -65.230 flat angles P-C4'-P energy: -38.252 tors. eta vs tors. theta energy: -53.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -661.222860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.222860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.222860 (E_RNA) where: Base-Base interactions energy: -384.051 where: short stacking energy: -201.988 Base-Backbone interact. energy: -0.461 local terms energy: -276.710919 where: bonds (distance) C4'-P energy: -75.277 bonds (distance) P-C4' energy: -73.775 flat angles C4'-P-C4' energy: -73.056 flat angles P-C4'-P energy: -29.040 tors. eta vs tors. theta energy: -25.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -527.146404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.146404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.146404 (E_RNA) where: Base-Base interactions energy: -269.221 where: short stacking energy: -158.303 Base-Backbone interact. energy: -4.140 local terms energy: -253.786231 where: bonds (distance) C4'-P energy: -65.327 bonds (distance) P-C4' energy: -72.645 flat angles C4'-P-C4' energy: -56.388 flat angles P-C4'-P energy: -37.638 tors. eta vs tors. theta energy: -21.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -369.036223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.036223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.036223 (E_RNA) where: Base-Base interactions energy: -158.808 where: short stacking energy: -99.907 Base-Backbone interact. energy: 4.585 local terms energy: -214.814167 where: bonds (distance) C4'-P energy: -71.020 bonds (distance) P-C4' energy: -65.096 flat angles C4'-P-C4' energy: -58.038 flat angles P-C4'-P energy: -32.566 tors. eta vs tors. theta energy: 11.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -1383.457812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.457812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.457812 (E_RNA) where: Base-Base interactions energy: -963.458 where: short stacking energy: -405.579 Base-Backbone interact. energy: 1.209 local terms energy: -421.209583 where: bonds (distance) C4'-P energy: -73.126 bonds (distance) P-C4' energy: -87.853 flat angles C4'-P-C4' energy: -83.785 flat angles P-C4'-P energy: -50.734 tors. eta vs tors. theta energy: -125.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -1321.123490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.123490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.123490 (E_RNA) where: Base-Base interactions energy: -890.035 where: short stacking energy: -405.004 Base-Backbone interact. energy: -1.208 local terms energy: -429.880591 where: bonds (distance) C4'-P energy: -73.812 bonds (distance) P-C4' energy: -66.006 flat angles C4'-P-C4' energy: -93.501 flat angles P-C4'-P energy: -78.463 tors. eta vs tors. theta energy: -118.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -1271.414336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.414336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.414336 (E_RNA) where: Base-Base interactions energy: -873.251 where: short stacking energy: -391.579 Base-Backbone interact. energy: -1.489 local terms energy: -396.675063 where: bonds (distance) C4'-P energy: -75.293 bonds (distance) P-C4' energy: -59.090 flat angles C4'-P-C4' energy: -88.026 flat angles P-C4'-P energy: -56.621 tors. eta vs tors. theta energy: -117.645 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: 4, replica: 1 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -1228.833220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.833220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.833220 (E_RNA) where: Base-Base interactions energy: -823.985 where: short stacking energy: -387.405 Base-Backbone interact. energy: -0.662 local terms energy: -404.186316 where: bonds (distance) C4'-P energy: -74.710 bonds (distance) P-C4' energy: -71.507 flat angles C4'-P-C4' energy: -83.973 flat angles P-C4'-P energy: -53.606 tors. eta vs tors. theta energy: -120.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -1097.778659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.778659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.778659 (E_RNA) where: Base-Base interactions energy: -714.594 where: short stacking energy: -316.888 Base-Backbone interact. energy: -0.736 local terms energy: -382.449079 where: bonds (distance) C4'-P energy: -74.135 bonds (distance) P-C4' energy: -72.870 flat angles C4'-P-C4' energy: -85.119 flat angles P-C4'-P energy: -56.499 tors. eta vs tors. theta energy: -93.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -1056.142886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.142886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.142886 (E_RNA) where: Base-Base interactions energy: -692.083 where: short stacking energy: -297.902 Base-Backbone interact. energy: 3.138 local terms energy: -367.198198 where: bonds (distance) C4'-P energy: -68.395 bonds (distance) P-C4' energy: -77.541 flat angles C4'-P-C4' energy: -76.255 flat angles P-C4'-P energy: -62.607 tors. eta vs tors. theta energy: -82.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -887.614949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.614949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.614949 (E_RNA) where: Base-Base interactions energy: -544.484 where: short stacking energy: -251.709 Base-Backbone interact. energy: -1.534 local terms energy: -341.596556 where: bonds (distance) C4'-P energy: -65.289 bonds (distance) P-C4' energy: -83.433 flat angles C4'-P-C4' energy: -76.114 flat angles P-C4'-P energy: -49.676 tors. eta vs tors. theta energy: -67.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -677.531692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.531692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.531692 (E_RNA) where: Base-Base interactions energy: -388.076 where: short stacking energy: -207.130 Base-Backbone interact. energy: 1.207 local terms energy: -290.662762 where: bonds (distance) C4'-P energy: -55.053 bonds (distance) P-C4' energy: -80.065 flat angles C4'-P-C4' energy: -71.792 flat angles P-C4'-P energy: -46.483 tors. eta vs tors. theta energy: -37.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -561.094163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.094163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.094163 (E_RNA) where: Base-Base interactions energy: -319.123 where: short stacking energy: -144.067 Base-Backbone interact. energy: 2.765 local terms energy: -244.736481 where: bonds (distance) C4'-P energy: -66.804 bonds (distance) P-C4' energy: -64.543 flat angles C4'-P-C4' energy: -67.019 flat angles P-C4'-P energy: -30.219 tors. eta vs tors. theta energy: -16.151 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: 10 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -350.953850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.953850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.953850 (E_RNA) where: Base-Base interactions energy: -126.639 where: short stacking energy: -101.798 Base-Backbone interact. energy: -1.643 local terms energy: -222.671446 where: bonds (distance) C4'-P energy: -65.602 bonds (distance) P-C4' energy: -78.714 flat angles C4'-P-C4' energy: -59.669 flat angles P-C4'-P energy: -25.936 tors. eta vs tors. theta energy: 7.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -1399.338976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.338976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.338976 (E_RNA) where: Base-Base interactions energy: -976.039 where: short stacking energy: -393.872 Base-Backbone interact. energy: -3.647 local terms energy: -419.653127 where: bonds (distance) C4'-P energy: -74.319 bonds (distance) P-C4' energy: -77.247 flat angles C4'-P-C4' energy: -93.270 flat angles P-C4'-P energy: -60.742 tors. eta vs tors. theta energy: -114.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -1288.524890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.524890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.524890 (E_RNA) where: Base-Base interactions energy: -857.054 where: short stacking energy: -384.948 Base-Backbone interact. energy: -1.384 local terms energy: -430.086162 where: bonds (distance) C4'-P energy: -74.558 bonds (distance) P-C4' energy: -74.796 flat angles C4'-P-C4' energy: -90.555 flat angles P-C4'-P energy: -69.179 tors. eta vs tors. theta energy: -120.997 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: 3, replica: 8 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -1267.538135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.538135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.538135 (E_RNA) where: Base-Base interactions energy: -848.299 where: short stacking energy: -363.224 Base-Backbone interact. energy: 0.252 local terms energy: -419.490892 where: bonds (distance) C4'-P energy: -79.084 bonds (distance) P-C4' energy: -68.438 flat angles C4'-P-C4' energy: -86.836 flat angles P-C4'-P energy: -62.186 tors. eta vs tors. theta energy: -122.946 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: 1 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -1213.154026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.154026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.154026 (E_RNA) where: Base-Base interactions energy: -817.144 where: short stacking energy: -374.003 Base-Backbone interact. energy: 0.115 local terms energy: -396.125211 where: bonds (distance) C4'-P energy: -68.427 bonds (distance) P-C4' energy: -78.848 flat angles C4'-P-C4' energy: -80.285 flat angles P-C4'-P energy: -57.735 tors. eta vs tors. theta energy: -110.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -1106.759015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.759015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.759015 (E_RNA) where: Base-Base interactions energy: -726.042 where: short stacking energy: -338.596 Base-Backbone interact. energy: -1.055 local terms energy: -379.662390 where: bonds (distance) C4'-P energy: -62.225 bonds (distance) P-C4' energy: -72.922 flat angles C4'-P-C4' energy: -85.063 flat angles P-C4'-P energy: -59.221 tors. eta vs tors. theta energy: -100.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -1028.628776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.628776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.628776 (E_RNA) where: Base-Base interactions energy: -697.077 where: short stacking energy: -290.807 Base-Backbone interact. energy: -1.115 local terms energy: -330.437290 where: bonds (distance) C4'-P energy: -67.997 bonds (distance) P-C4' energy: -70.743 flat angles C4'-P-C4' energy: -79.745 flat angles P-C4'-P energy: -45.644 tors. eta vs tors. theta energy: -66.308 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: 7, replica: 6 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -854.816393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.816393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.816393 (E_RNA) where: Base-Base interactions energy: -549.380 where: short stacking energy: -259.403 Base-Backbone interact. energy: 1.686 local terms energy: -307.122868 where: bonds (distance) C4'-P energy: -51.622 bonds (distance) P-C4' energy: -62.234 flat angles C4'-P-C4' energy: -78.325 flat angles P-C4'-P energy: -45.046 tors. eta vs tors. theta energy: -69.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -687.370178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.370178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.370178 (E_RNA) where: Base-Base interactions energy: -412.190 where: short stacking energy: -188.337 Base-Backbone interact. energy: 0.243 local terms energy: -275.422611 where: bonds (distance) C4'-P energy: -58.686 bonds (distance) P-C4' energy: -68.105 flat angles C4'-P-C4' energy: -71.166 flat angles P-C4'-P energy: -37.459 tors. eta vs tors. theta energy: -40.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -591.839393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.839393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.839393 (E_RNA) where: Base-Base interactions energy: -326.177 where: short stacking energy: -169.725 Base-Backbone interact. energy: 1.730 local terms energy: -267.393371 where: bonds (distance) C4'-P energy: -66.342 bonds (distance) P-C4' energy: -76.133 flat angles C4'-P-C4' energy: -67.713 flat angles P-C4'-P energy: -39.879 tors. eta vs tors. theta energy: -17.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -335.002099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.002099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.002099 (E_RNA) where: Base-Base interactions energy: -134.440 where: short stacking energy: -95.605 Base-Backbone interact. energy: 1.023 local terms energy: -201.585284 where: bonds (distance) C4'-P energy: -61.512 bonds (distance) P-C4' energy: -61.835 flat angles C4'-P-C4' energy: -51.678 flat angles P-C4'-P energy: -42.418 tors. eta vs tors. theta energy: 15.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -1397.187596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.187596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.187596 (E_RNA) where: Base-Base interactions energy: -958.588 where: short stacking energy: -393.913 Base-Backbone interact. energy: 0.390 local terms energy: -438.988992 where: bonds (distance) C4'-P energy: -86.222 bonds (distance) P-C4' energy: -85.075 flat angles C4'-P-C4' energy: -85.815 flat angles P-C4'-P energy: -60.336 tors. eta vs tors. theta energy: -121.541 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: 5 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -1301.204742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.204742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.204742 (E_RNA) where: Base-Base interactions energy: -874.919 where: short stacking energy: -391.017 Base-Backbone interact. energy: 0.229 local terms energy: -426.514432 where: bonds (distance) C4'-P energy: -75.512 bonds (distance) P-C4' energy: -66.079 flat angles C4'-P-C4' energy: -91.922 flat angles P-C4'-P energy: -72.247 tors. eta vs tors. theta energy: -120.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -1257.980186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.980186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.980186 (E_RNA) where: Base-Base interactions energy: -850.213 where: short stacking energy: -387.651 Base-Backbone interact. energy: -0.914 local terms energy: -406.853317 where: bonds (distance) C4'-P energy: -76.008 bonds (distance) P-C4' energy: -71.421 flat angles C4'-P-C4' energy: -78.298 flat angles P-C4'-P energy: -60.582 tors. eta vs tors. theta energy: -120.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -1157.232915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.232915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.232915 (E_RNA) where: Base-Base interactions energy: -774.116 where: short stacking energy: -357.850 Base-Backbone interact. energy: -2.359 local terms energy: -380.758507 where: bonds (distance) C4'-P energy: -74.658 bonds (distance) P-C4' energy: -73.426 flat angles C4'-P-C4' energy: -88.838 flat angles P-C4'-P energy: -47.242 tors. eta vs tors. theta energy: -96.595 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: 7 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -1162.919668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.919668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.919668 (E_RNA) where: Base-Base interactions energy: -762.034 where: short stacking energy: -331.157 Base-Backbone interact. energy: -0.209 local terms energy: -400.676237 where: bonds (distance) C4'-P energy: -78.651 bonds (distance) P-C4' energy: -76.094 flat angles C4'-P-C4' energy: -83.508 flat angles P-C4'-P energy: -58.025 tors. eta vs tors. theta energy: -104.398 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: 9 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -1029.689030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.689030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.689030 (E_RNA) where: Base-Base interactions energy: -700.694 where: short stacking energy: -293.343 Base-Backbone interact. energy: -1.586 local terms energy: -327.409613 where: bonds (distance) C4'-P energy: -71.750 bonds (distance) P-C4' energy: -63.558 flat angles C4'-P-C4' energy: -81.457 flat angles P-C4'-P energy: -50.008 tors. eta vs tors. theta energy: -60.637 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: 6 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -916.396507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.396507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.396507 (E_RNA) where: Base-Base interactions energy: -594.451 where: short stacking energy: -253.387 Base-Backbone interact. energy: -1.433 local terms energy: -320.512350 where: bonds (distance) C4'-P energy: -68.262 bonds (distance) P-C4' energy: -60.630 flat angles C4'-P-C4' energy: -80.171 flat angles P-C4'-P energy: -53.342 tors. eta vs tors. theta energy: -58.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -680.072759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.072759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.072759 (E_RNA) where: Base-Base interactions energy: -396.897 where: short stacking energy: -203.056 Base-Backbone interact. energy: -0.640 local terms energy: -282.535724 where: bonds (distance) C4'-P energy: -67.677 bonds (distance) P-C4' energy: -69.095 flat angles C4'-P-C4' energy: -69.381 flat angles P-C4'-P energy: -44.331 tors. eta vs tors. theta energy: -32.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -581.049739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.049739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.049739 (E_RNA) where: Base-Base interactions energy: -329.533 where: short stacking energy: -177.339 Base-Backbone interact. energy: -3.730 local terms energy: -247.786894 where: bonds (distance) C4'-P energy: -64.787 bonds (distance) P-C4' energy: -53.815 flat angles C4'-P-C4' energy: -53.873 flat angles P-C4'-P energy: -45.924 tors. eta vs tors. theta energy: -29.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -366.005315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.005315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.005315 (E_RNA) where: Base-Base interactions energy: -141.808 where: short stacking energy: -100.169 Base-Backbone interact. energy: -0.025 local terms energy: -224.171965 where: bonds (distance) C4'-P energy: -60.339 bonds (distance) P-C4' energy: -72.850 flat angles C4'-P-C4' energy: -58.646 flat angles P-C4'-P energy: -39.198 tors. eta vs tors. theta energy: 6.861 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: 1, replica: 3 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -1435.253141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.253141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.253141 (E_RNA) where: Base-Base interactions energy: -982.231 where: short stacking energy: -406.690 Base-Backbone interact. energy: -4.550 local terms energy: -448.472531 where: bonds (distance) C4'-P energy: -85.088 bonds (distance) P-C4' energy: -78.798 flat angles C4'-P-C4' energy: -93.660 flat angles P-C4'-P energy: -67.662 tors. eta vs tors. theta energy: -123.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -1303.861850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.861850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.861850 (E_RNA) where: Base-Base interactions energy: -871.181 where: short stacking energy: -393.396 Base-Backbone interact. energy: -1.695 local terms energy: -430.986042 where: bonds (distance) C4'-P energy: -80.781 bonds (distance) P-C4' energy: -79.276 flat angles C4'-P-C4' energy: -94.618 flat angles P-C4'-P energy: -56.683 tors. eta vs tors. theta energy: -119.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -1276.413309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.413309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.413309 (E_RNA) where: Base-Base interactions energy: -845.811 where: short stacking energy: -378.080 Base-Backbone interact. energy: -2.824 local terms energy: -427.778070 where: bonds (distance) C4'-P energy: -92.384 bonds (distance) P-C4' energy: -70.780 flat angles C4'-P-C4' energy: -89.152 flat angles P-C4'-P energy: -54.061 tors. eta vs tors. theta energy: -121.401 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: 4, replica: 1 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -1178.595283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.595283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.595283 (E_RNA) where: Base-Base interactions energy: -780.617 where: short stacking energy: -354.931 Base-Backbone interact. energy: -0.473 local terms energy: -397.506078 where: bonds (distance) C4'-P energy: -76.424 bonds (distance) P-C4' energy: -70.174 flat angles C4'-P-C4' energy: -83.569 flat angles P-C4'-P energy: -56.006 tors. eta vs tors. theta energy: -111.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -1123.760087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.760087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.760087 (E_RNA) where: Base-Base interactions energy: -726.745 where: short stacking energy: -335.999 Base-Backbone interact. energy: 0.203 local terms energy: -397.218307 where: bonds (distance) C4'-P energy: -77.747 bonds (distance) P-C4' energy: -85.110 flat angles C4'-P-C4' energy: -82.053 flat angles P-C4'-P energy: -43.304 tors. eta vs tors. theta energy: -109.005 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: 6, replica: 9 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -1047.446519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.446519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.446519 (E_RNA) where: Base-Base interactions energy: -686.771 where: short stacking energy: -305.119 Base-Backbone interact. energy: -2.568 local terms energy: -358.107154 where: bonds (distance) C4'-P energy: -75.372 bonds (distance) P-C4' energy: -84.278 flat angles C4'-P-C4' energy: -71.960 flat angles P-C4'-P energy: -61.602 tors. eta vs tors. theta energy: -64.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -919.416117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.416117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.416117 (E_RNA) where: Base-Base interactions energy: -590.421 where: short stacking energy: -259.212 Base-Backbone interact. energy: -1.860 local terms energy: -327.135346 where: bonds (distance) C4'-P energy: -64.182 bonds (distance) P-C4' energy: -76.530 flat angles C4'-P-C4' energy: -78.695 flat angles P-C4'-P energy: -39.518 tors. eta vs tors. theta energy: -68.210 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: 2 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -688.437893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.437893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.437893 (E_RNA) where: Base-Base interactions energy: -404.051 where: short stacking energy: -193.368 Base-Backbone interact. energy: -0.715 local terms energy: -283.672067 where: bonds (distance) C4'-P energy: -61.520 bonds (distance) P-C4' energy: -80.265 flat angles C4'-P-C4' energy: -67.689 flat angles P-C4'-P energy: -47.429 tors. eta vs tors. theta energy: -26.768 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: 4 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -568.165812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.165812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.165812 (E_RNA) where: Base-Base interactions energy: -315.727 where: short stacking energy: -175.295 Base-Backbone interact. energy: -1.878 local terms energy: -250.560596 where: bonds (distance) C4'-P energy: -66.286 bonds (distance) P-C4' energy: -58.689 flat angles C4'-P-C4' energy: -66.404 flat angles P-C4'-P energy: -38.652 tors. eta vs tors. theta energy: -20.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -333.975660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.975660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.975660 (E_RNA) where: Base-Base interactions energy: -125.096 where: short stacking energy: -92.623 Base-Backbone interact. energy: 2.415 local terms energy: -211.294827 where: bonds (distance) C4'-P energy: -77.414 bonds (distance) P-C4' energy: -62.868 flat angles C4'-P-C4' energy: -57.645 flat angles P-C4'-P energy: -23.887 tors. eta vs tors. theta energy: 10.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -1418.303842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.303842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.303842 (E_RNA) where: Base-Base interactions energy: -978.523 where: short stacking energy: -402.863 Base-Backbone interact. energy: -0.189 local terms energy: -439.591583 where: bonds (distance) C4'-P energy: -71.158 bonds (distance) P-C4' energy: -86.066 flat angles C4'-P-C4' energy: -92.567 flat angles P-C4'-P energy: -65.821 tors. eta vs tors. theta energy: -123.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -1319.746247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.746247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.746247 (E_RNA) where: Base-Base interactions energy: -887.792 where: short stacking energy: -412.364 Base-Backbone interact. energy: -1.520 local terms energy: -430.434372 where: bonds (distance) C4'-P energy: -77.001 bonds (distance) P-C4' energy: -76.120 flat angles C4'-P-C4' energy: -89.924 flat angles P-C4'-P energy: -61.309 tors. eta vs tors. theta energy: -126.081 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: 3, replica: 8 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -1275.140798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.140798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.140798 (E_RNA) where: Base-Base interactions energy: -874.039 where: short stacking energy: -380.878 Base-Backbone interact. energy: -2.053 local terms energy: -399.049441 where: bonds (distance) C4'-P energy: -76.524 bonds (distance) P-C4' energy: -65.299 flat angles C4'-P-C4' energy: -84.274 flat angles P-C4'-P energy: -56.274 tors. eta vs tors. theta energy: -116.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -1193.020155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.020155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.020155 (E_RNA) where: Base-Base interactions energy: -794.533 where: short stacking energy: -351.705 Base-Backbone interact. energy: -0.914 local terms energy: -397.572630 where: bonds (distance) C4'-P energy: -60.313 bonds (distance) P-C4' energy: -79.576 flat angles C4'-P-C4' energy: -93.039 flat angles P-C4'-P energy: -57.138 tors. eta vs tors. theta energy: -107.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -1127.447364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.447364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.447364 (E_RNA) where: Base-Base interactions energy: -751.309 where: short stacking energy: -310.631 Base-Backbone interact. energy: 3.823 local terms energy: -379.961667 where: bonds (distance) C4'-P energy: -79.863 bonds (distance) P-C4' energy: -65.893 flat angles C4'-P-C4' energy: -81.190 flat angles P-C4'-P energy: -61.298 tors. eta vs tors. theta energy: -91.719 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: 9 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -1057.198685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.198685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.198685 (E_RNA) where: Base-Base interactions energy: -710.767 where: short stacking energy: -297.192 Base-Backbone interact. energy: 2.306 local terms energy: -348.738590 where: bonds (distance) C4'-P energy: -59.752 bonds (distance) P-C4' energy: -76.524 flat angles C4'-P-C4' energy: -84.372 flat angles P-C4'-P energy: -50.029 tors. eta vs tors. theta energy: -78.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -887.237526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.237526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.237526 (E_RNA) where: Base-Base interactions energy: -578.464 where: short stacking energy: -250.780 Base-Backbone interact. energy: -2.672 local terms energy: -306.101903 where: bonds (distance) C4'-P energy: -71.206 bonds (distance) P-C4' energy: -73.016 flat angles C4'-P-C4' energy: -77.341 flat angles P-C4'-P energy: -36.307 tors. eta vs tors. theta energy: -48.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -670.086463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.086463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.086463 (E_RNA) where: Base-Base interactions energy: -388.797 where: short stacking energy: -195.800 Base-Backbone interact. energy: -0.168 local terms energy: -281.122296 where: bonds (distance) C4'-P energy: -63.192 bonds (distance) P-C4' energy: -67.030 flat angles C4'-P-C4' energy: -69.394 flat angles P-C4'-P energy: -50.906 tors. eta vs tors. theta energy: -30.601 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: 4 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -579.220773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.220773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.220773 (E_RNA) where: Base-Base interactions energy: -311.327 where: short stacking energy: -168.757 Base-Backbone interact. energy: -2.423 local terms energy: -265.471464 where: bonds (distance) C4'-P energy: -67.446 bonds (distance) P-C4' energy: -67.301 flat angles C4'-P-C4' energy: -77.008 flat angles P-C4'-P energy: -25.229 tors. eta vs tors. theta energy: -28.488 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: 10, replica: 10 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -327.795130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.795130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.795130 (E_RNA) where: Base-Base interactions energy: -105.471 where: short stacking energy: -81.154 Base-Backbone interact. energy: -0.856 local terms energy: -221.468614 where: bonds (distance) C4'-P energy: -64.205 bonds (distance) P-C4' energy: -74.174 flat angles C4'-P-C4' energy: -57.747 flat angles P-C4'-P energy: -24.501 tors. eta vs tors. theta energy: -0.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -1405.053903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.053903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.053903 (E_RNA) where: Base-Base interactions energy: -980.964 where: short stacking energy: -412.772 Base-Backbone interact. energy: 0.464 local terms energy: -424.553860 where: bonds (distance) C4'-P energy: -81.391 bonds (distance) P-C4' energy: -74.894 flat angles C4'-P-C4' energy: -89.478 flat angles P-C4'-P energy: -53.485 tors. eta vs tors. theta energy: -125.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -1338.744129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.744129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.744129 (E_RNA) where: Base-Base interactions energy: -900.042 where: short stacking energy: -397.855 Base-Backbone interact. energy: -1.494 local terms energy: -437.208509 where: bonds (distance) C4'-P energy: -78.474 bonds (distance) P-C4' energy: -89.423 flat angles C4'-P-C4' energy: -92.576 flat angles P-C4'-P energy: -49.204 tors. eta vs tors. theta energy: -127.532 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: 5 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -1280.982885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.982885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.982885 (E_RNA) where: Base-Base interactions energy: -872.898 where: short stacking energy: -393.901 Base-Backbone interact. energy: -0.401 local terms energy: -407.683179 where: bonds (distance) C4'-P energy: -70.522 bonds (distance) P-C4' energy: -80.880 flat angles C4'-P-C4' energy: -85.486 flat angles P-C4'-P energy: -52.436 tors. eta vs tors. theta energy: -118.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -1190.721006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.721006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.721006 (E_RNA) where: Base-Base interactions energy: -811.121 where: short stacking energy: -370.021 Base-Backbone interact. energy: -1.831 local terms energy: -377.769669 where: bonds (distance) C4'-P energy: -73.880 bonds (distance) P-C4' energy: -79.053 flat angles C4'-P-C4' energy: -77.176 flat angles P-C4'-P energy: -44.638 tors. eta vs tors. theta energy: -103.022 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: 5, replica: 7 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -1183.664147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.664147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.664147 (E_RNA) where: Base-Base interactions energy: -807.972 where: short stacking energy: -355.437 Base-Backbone interact. energy: -0.731 local terms energy: -374.961423 where: bonds (distance) C4'-P energy: -65.488 bonds (distance) P-C4' energy: -73.967 flat angles C4'-P-C4' energy: -86.089 flat angles P-C4'-P energy: -40.530 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: 6, replica: 9 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -1075.899167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.899167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.899167 (E_RNA) where: Base-Base interactions energy: -723.841 where: short stacking energy: -293.950 Base-Backbone interact. energy: -2.063 local terms energy: -349.994760 where: bonds (distance) C4'-P energy: -64.559 bonds (distance) P-C4' energy: -75.560 flat angles C4'-P-C4' energy: -76.091 flat angles P-C4'-P energy: -60.071 tors. eta vs tors. theta energy: -73.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -877.002820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.002820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.002820 (E_RNA) where: Base-Base interactions energy: -539.367 where: short stacking energy: -236.754 Base-Backbone interact. energy: -2.000 local terms energy: -335.636450 where: bonds (distance) C4'-P energy: -65.401 bonds (distance) P-C4' energy: -84.238 flat angles C4'-P-C4' energy: -82.866 flat angles P-C4'-P energy: -43.171 tors. eta vs tors. theta energy: -59.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -612.074367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.074367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.074367 (E_RNA) where: Base-Base interactions energy: -334.335 where: short stacking energy: -175.420 Base-Backbone interact. energy: -1.684 local terms energy: -276.055076 where: bonds (distance) C4'-P energy: -68.750 bonds (distance) P-C4' energy: -72.421 flat angles C4'-P-C4' energy: -58.083 flat angles P-C4'-P energy: -33.344 tors. eta vs tors. theta energy: -43.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -614.204051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.204051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.204051 (E_RNA) where: Base-Base interactions energy: -354.411 where: short stacking energy: -182.378 Base-Backbone interact. energy: -2.236 local terms energy: -257.556899 where: bonds (distance) C4'-P energy: -71.257 bonds (distance) P-C4' energy: -57.095 flat angles C4'-P-C4' energy: -58.997 flat angles P-C4'-P energy: -44.782 tors. eta vs tors. theta energy: -25.426 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: 10, replica: 10 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -349.148201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.148201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.148201 (E_RNA) where: Base-Base interactions energy: -128.957 where: short stacking energy: -102.748 Base-Backbone interact. energy: 0.136 local terms energy: -220.327388 where: bonds (distance) C4'-P energy: -66.324 bonds (distance) P-C4' energy: -67.562 flat angles C4'-P-C4' energy: -61.592 flat angles P-C4'-P energy: -19.751 tors. eta vs tors. theta energy: -5.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -1432.360789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.360789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.360789 (E_RNA) where: Base-Base interactions energy: -988.849 where: short stacking energy: -417.789 Base-Backbone interact. energy: -5.378 local terms energy: -438.133998 where: bonds (distance) C4'-P energy: -78.890 bonds (distance) P-C4' energy: -84.282 flat angles C4'-P-C4' energy: -90.441 flat angles P-C4'-P energy: -57.237 tors. eta vs tors. theta energy: -127.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -1307.338171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.338171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.338171 (E_RNA) where: Base-Base interactions energy: -897.020 where: short stacking energy: -404.019 Base-Backbone interact. energy: -0.748 local terms energy: -409.570463 where: bonds (distance) C4'-P energy: -68.280 bonds (distance) P-C4' energy: -80.000 flat angles C4'-P-C4' energy: -98.766 flat angles P-C4'-P energy: -37.126 tors. eta vs tors. theta energy: -125.398 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: 5 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -1276.600555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.600555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.600555 (E_RNA) where: Base-Base interactions energy: -857.453 where: short stacking energy: -387.222 Base-Backbone interact. energy: 2.278 local terms energy: -421.424950 where: bonds (distance) C4'-P energy: -77.968 bonds (distance) P-C4' energy: -85.150 flat angles C4'-P-C4' energy: -82.703 flat angles P-C4'-P energy: -55.551 tors. eta vs tors. theta energy: -120.052 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: 1 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -1154.776436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.776436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.776436 (E_RNA) where: Base-Base interactions energy: -765.869 where: short stacking energy: -326.531 Base-Backbone interact. energy: -1.987 local terms energy: -386.920321 where: bonds (distance) C4'-P energy: -80.386 bonds (distance) P-C4' energy: -73.926 flat angles C4'-P-C4' energy: -79.188 flat angles P-C4'-P energy: -61.093 tors. eta vs tors. theta energy: -92.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -1179.322445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.322445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.322445 (E_RNA) where: Base-Base interactions energy: -807.111 where: short stacking energy: -345.696 Base-Backbone interact. energy: -1.669 local terms energy: -370.542257 where: bonds (distance) C4'-P energy: -61.401 bonds (distance) P-C4' energy: -64.057 flat angles C4'-P-C4' energy: -77.842 flat angles P-C4'-P energy: -60.512 tors. eta vs tors. theta energy: -106.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -1060.343139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.343139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.343139 (E_RNA) where: Base-Base interactions energy: -723.014 where: short stacking energy: -318.242 Base-Backbone interact. energy: -1.082 local terms energy: -336.246789 where: bonds (distance) C4'-P energy: -59.720 bonds (distance) P-C4' energy: -76.612 flat angles C4'-P-C4' energy: -73.443 flat angles P-C4'-P energy: -39.916 tors. eta vs tors. theta energy: -86.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -833.338353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.338353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.338353 (E_RNA) where: Base-Base interactions energy: -529.894 where: short stacking energy: -253.645 Base-Backbone interact. energy: -1.342 local terms energy: -302.102154 where: bonds (distance) C4'-P energy: -70.912 bonds (distance) P-C4' energy: -53.661 flat angles C4'-P-C4' energy: -64.034 flat angles P-C4'-P energy: -50.431 tors. eta vs tors. theta energy: -63.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -593.930099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.930099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.930099 (E_RNA) where: Base-Base interactions energy: -316.626 where: short stacking energy: -168.900 Base-Backbone interact. energy: -3.361 local terms energy: -273.943558 where: bonds (distance) C4'-P energy: -67.821 bonds (distance) P-C4' energy: -74.173 flat angles C4'-P-C4' energy: -66.457 flat angles P-C4'-P energy: -38.050 tors. eta vs tors. theta energy: -27.443 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: 2 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -631.384683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.384683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.384683 (E_RNA) where: Base-Base interactions energy: -358.499 where: short stacking energy: -197.182 Base-Backbone interact. energy: 0.510 local terms energy: -273.396252 where: bonds (distance) C4'-P energy: -57.008 bonds (distance) P-C4' energy: -81.305 flat angles C4'-P-C4' energy: -68.391 flat angles P-C4'-P energy: -20.594 tors. eta vs tors. theta energy: -46.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -355.937503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.937503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.937503 (E_RNA) where: Base-Base interactions energy: -128.260 where: short stacking energy: -79.454 Base-Backbone interact. energy: -0.774 local terms energy: -226.903000 where: bonds (distance) C4'-P energy: -58.306 bonds (distance) P-C4' energy: -71.700 flat angles C4'-P-C4' energy: -65.176 flat angles P-C4'-P energy: -27.497 tors. eta vs tors. theta energy: -4.223 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: 1, replica: 3 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -1427.071481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.071481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.071481 (E_RNA) where: Base-Base interactions energy: -985.796 where: short stacking energy: -398.236 Base-Backbone interact. energy: -4.784 local terms energy: -436.491998 where: bonds (distance) C4'-P energy: -77.790 bonds (distance) P-C4' energy: -80.055 flat angles C4'-P-C4' energy: -94.674 flat angles P-C4'-P energy: -58.862 tors. eta vs tors. theta energy: -125.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -1321.618534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.618534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.618534 (E_RNA) where: Base-Base interactions energy: -904.186 where: short stacking energy: -397.851 Base-Backbone interact. energy: -1.410 local terms energy: -416.022728 where: bonds (distance) C4'-P energy: -84.505 bonds (distance) P-C4' energy: -70.738 flat angles C4'-P-C4' energy: -86.301 flat angles P-C4'-P energy: -52.526 tors. eta vs tors. theta energy: -121.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -1280.040504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.040504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.040504 (E_RNA) where: Base-Base interactions energy: -853.311 where: short stacking energy: -399.282 Base-Backbone interact. energy: -0.940 local terms energy: -425.789448 where: bonds (distance) C4'-P energy: -70.813 bonds (distance) P-C4' energy: -82.705 flat angles C4'-P-C4' energy: -86.988 flat angles P-C4'-P energy: -59.741 tors. eta vs tors. theta energy: -125.542 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: 4, replica: 7 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -1213.466859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.466859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.466859 (E_RNA) where: Base-Base interactions energy: -838.684 where: short stacking energy: -352.606 Base-Backbone interact. energy: -0.561 local terms energy: -374.221032 where: bonds (distance) C4'-P energy: -64.730 bonds (distance) P-C4' energy: -64.895 flat angles C4'-P-C4' energy: -71.016 flat angles P-C4'-P energy: -61.644 tors. eta vs tors. theta energy: -111.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -1122.452629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.452629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.452629 (E_RNA) where: Base-Base interactions energy: -735.397 where: short stacking energy: -310.073 Base-Backbone interact. energy: -2.243 local terms energy: -384.812982 where: bonds (distance) C4'-P energy: -78.284 bonds (distance) P-C4' energy: -72.758 flat angles C4'-P-C4' energy: -75.817 flat angles P-C4'-P energy: -60.464 tors. eta vs tors. theta energy: -97.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -1036.756687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.756687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.756687 (E_RNA) where: Base-Base interactions energy: -683.947 where: short stacking energy: -290.879 Base-Backbone interact. energy: -2.287 local terms energy: -350.523241 where: bonds (distance) C4'-P energy: -81.713 bonds (distance) P-C4' energy: -73.136 flat angles C4'-P-C4' energy: -74.318 flat angles P-C4'-P energy: -50.926 tors. eta vs tors. theta energy: -70.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -811.001838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.001838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.001838 (E_RNA) where: Base-Base interactions energy: -497.121 where: short stacking energy: -233.924 Base-Backbone interact. energy: -1.791 local terms energy: -312.089220 where: bonds (distance) C4'-P energy: -70.992 bonds (distance) P-C4' energy: -80.704 flat angles C4'-P-C4' energy: -73.699 flat angles P-C4'-P energy: -44.671 tors. eta vs tors. theta energy: -42.023 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: 8, replica: 2 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -675.547093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.547093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.547093 (E_RNA) where: Base-Base interactions energy: -382.515 where: short stacking energy: -209.310 Base-Backbone interact. energy: 0.806 local terms energy: -293.837777 where: bonds (distance) C4'-P energy: -80.108 bonds (distance) P-C4' energy: -68.379 flat angles C4'-P-C4' energy: -59.680 flat angles P-C4'-P energy: -35.552 tors. eta vs tors. theta energy: -50.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -573.230462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.230462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.230462 (E_RNA) where: Base-Base interactions energy: -316.755 where: short stacking energy: -151.217 Base-Backbone interact. energy: 0.237 local terms energy: -256.712947 where: bonds (distance) C4'-P energy: -63.014 bonds (distance) P-C4' energy: -74.441 flat angles C4'-P-C4' energy: -53.247 flat angles P-C4'-P energy: -44.966 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: 10 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -357.015383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.015383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.015383 (E_RNA) where: Base-Base interactions energy: -135.938 where: short stacking energy: -108.893 Base-Backbone interact. energy: -0.351 local terms energy: -220.726512 where: bonds (distance) C4'-P energy: -68.083 bonds (distance) P-C4' energy: -72.430 flat angles C4'-P-C4' energy: -33.333 flat angles P-C4'-P energy: -30.693 tors. eta vs tors. theta energy: -16.186 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: 316 Temperature: 0.900000 Total energy: -1407.892923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.892923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.892923 (E_RNA) where: Base-Base interactions energy: -970.081 where: short stacking energy: -412.762 Base-Backbone interact. energy: -1.483 local terms energy: -436.328200 where: bonds (distance) C4'-P energy: -78.065 bonds (distance) P-C4' energy: -86.188 flat angles C4'-P-C4' energy: -87.634 flat angles P-C4'-P energy: -66.199 tors. eta vs tors. theta energy: -118.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -1292.564043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.564043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.564043 (E_RNA) where: Base-Base interactions energy: -853.259 where: short stacking energy: -380.800 Base-Backbone interact. energy: 2.918 local terms energy: -442.223933 where: bonds (distance) C4'-P energy: -81.567 bonds (distance) P-C4' energy: -77.242 flat angles C4'-P-C4' energy: -96.995 flat angles P-C4'-P energy: -68.919 tors. eta vs tors. theta energy: -117.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -1253.906788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.906788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.906788 (E_RNA) where: Base-Base interactions energy: -834.705 where: short stacking energy: -374.618 Base-Backbone interact. energy: -0.348 local terms energy: -418.854162 where: bonds (distance) C4'-P energy: -72.550 bonds (distance) P-C4' energy: -84.238 flat angles C4'-P-C4' energy: -85.298 flat angles P-C4'-P energy: -65.011 tors. eta vs tors. theta energy: -111.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -1206.918375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.918375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.918375 (E_RNA) where: Base-Base interactions energy: -798.808 where: short stacking energy: -357.405 Base-Backbone interact. energy: -0.472 local terms energy: -407.638500 where: bonds (distance) C4'-P energy: -74.181 bonds (distance) P-C4' energy: -73.508 flat angles C4'-P-C4' energy: -83.338 flat angles P-C4'-P energy: -61.879 tors. eta vs tors. theta energy: -114.733 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: 5, replica: 1 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -1160.499436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.499436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.499436 (E_RNA) where: Base-Base interactions energy: -783.485 where: short stacking energy: -335.206 Base-Backbone interact. energy: -0.356 local terms energy: -376.657733 where: bonds (distance) C4'-P energy: -69.850 bonds (distance) P-C4' energy: -72.836 flat angles C4'-P-C4' energy: -84.840 flat angles P-C4'-P energy: -44.134 tors. eta vs tors. theta energy: -104.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -1024.242705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.242705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.242705 (E_RNA) where: Base-Base interactions energy: -695.548 where: short stacking energy: -282.981 Base-Backbone interact. energy: 3.983 local terms energy: -332.677316 where: bonds (distance) C4'-P energy: -72.457 bonds (distance) P-C4' energy: -57.967 flat angles C4'-P-C4' energy: -78.025 flat angles P-C4'-P energy: -45.221 tors. eta vs tors. theta energy: -79.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -804.010882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.010882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.010882 (E_RNA) where: Base-Base interactions energy: -512.511 where: short stacking energy: -240.662 Base-Backbone interact. energy: -1.791 local terms energy: -289.709688 where: bonds (distance) C4'-P energy: -63.557 bonds (distance) P-C4' energy: -70.868 flat angles C4'-P-C4' energy: -70.963 flat angles P-C4'-P energy: -40.443 tors. eta vs tors. theta energy: -43.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -688.767692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.767692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.767692 (E_RNA) where: Base-Base interactions energy: -392.644 where: short stacking energy: -185.536 Base-Backbone interact. energy: 2.905 local terms energy: -299.028849 where: bonds (distance) C4'-P energy: -74.785 bonds (distance) P-C4' energy: -64.847 flat angles C4'-P-C4' energy: -81.938 flat angles P-C4'-P energy: -38.950 tors. eta vs tors. theta energy: -38.510 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: 4 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -575.969674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.969674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.969674 (E_RNA) where: Base-Base interactions energy: -326.400 where: short stacking energy: -162.612 Base-Backbone interact. energy: 2.062 local terms energy: -251.632347 where: bonds (distance) C4'-P energy: -76.783 bonds (distance) P-C4' energy: -51.901 flat angles C4'-P-C4' energy: -64.678 flat angles P-C4'-P energy: -37.522 tors. eta vs tors. theta energy: -20.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -343.302106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.302106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.302106 (E_RNA) where: Base-Base interactions energy: -128.275 where: short stacking energy: -98.418 Base-Backbone interact. energy: 1.517 local terms energy: -216.543757 where: bonds (distance) C4'-P energy: -64.274 bonds (distance) P-C4' energy: -62.871 flat angles C4'-P-C4' energy: -62.199 flat angles P-C4'-P energy: -31.995 tors. eta vs tors. theta energy: 4.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -1402.536388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.536388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.536388 (E_RNA) where: Base-Base interactions energy: -964.327 where: short stacking energy: -408.522 Base-Backbone interact. energy: 1.600 local terms energy: -439.810159 where: bonds (distance) C4'-P energy: -82.729 bonds (distance) P-C4' energy: -85.982 flat angles C4'-P-C4' energy: -93.717 flat angles P-C4'-P energy: -56.318 tors. eta vs tors. theta energy: -121.064 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: 8 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -1290.048931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.048931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.048931 (E_RNA) where: Base-Base interactions energy: -868.856 where: short stacking energy: -401.653 Base-Backbone interact. energy: -1.544 local terms energy: -419.649274 where: bonds (distance) C4'-P energy: -81.448 bonds (distance) P-C4' energy: -79.282 flat angles C4'-P-C4' energy: -90.872 flat angles P-C4'-P energy: -54.443 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: 3, replica: 5 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -1267.855806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.855806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.855806 (E_RNA) where: Base-Base interactions energy: -842.432 where: short stacking energy: -405.444 Base-Backbone interact. energy: -0.323 local terms energy: -425.101419 where: bonds (distance) C4'-P energy: -68.734 bonds (distance) P-C4' energy: -88.644 flat angles C4'-P-C4' energy: -88.455 flat angles P-C4'-P energy: -60.775 tors. eta vs tors. theta energy: -118.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -1191.732820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.732820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.732820 (E_RNA) where: Base-Base interactions energy: -792.678 where: short stacking energy: -368.403 Base-Backbone interact. energy: -2.397 local terms energy: -396.658162 where: bonds (distance) C4'-P energy: -74.538 bonds (distance) P-C4' energy: -72.459 flat angles C4'-P-C4' energy: -86.996 flat angles P-C4'-P energy: -50.234 tors. eta vs tors. theta energy: -112.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -1172.231641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.231641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.231641 (E_RNA) where: Base-Base interactions energy: -800.148 where: short stacking energy: -331.889 Base-Backbone interact. energy: -0.250 local terms energy: -371.833201 where: bonds (distance) C4'-P energy: -76.732 bonds (distance) P-C4' energy: -65.090 flat angles C4'-P-C4' energy: -82.729 flat angles P-C4'-P energy: -50.080 tors. eta vs tors. theta energy: -97.203 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: 9 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -1021.339594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.339594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.339594 (E_RNA) where: Base-Base interactions energy: -693.005 where: short stacking energy: -274.555 Base-Backbone interact. energy: -0.893 local terms energy: -327.440891 where: bonds (distance) C4'-P energy: -66.166 bonds (distance) P-C4' energy: -67.339 flat angles C4'-P-C4' energy: -71.603 flat angles P-C4'-P energy: -42.272 tors. eta vs tors. theta energy: -80.061 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: 6 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -815.587582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.587582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.587582 (E_RNA) where: Base-Base interactions energy: -509.681 where: short stacking energy: -252.231 Base-Backbone interact. energy: 0.658 local terms energy: -306.565068 where: bonds (distance) C4'-P energy: -70.717 bonds (distance) P-C4' energy: -64.973 flat angles C4'-P-C4' energy: -68.947 flat angles P-C4'-P energy: -46.309 tors. eta vs tors. theta energy: -55.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -683.335757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.335757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.335757 (E_RNA) where: Base-Base interactions energy: -411.338 where: short stacking energy: -189.581 Base-Backbone interact. energy: -1.541 local terms energy: -270.456845 where: bonds (distance) C4'-P energy: -69.769 bonds (distance) P-C4' energy: -70.453 flat angles C4'-P-C4' energy: -68.740 flat angles P-C4'-P energy: -40.606 tors. eta vs tors. theta energy: -20.889 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: 4 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -585.375160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.375160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.375160 (E_RNA) where: Base-Base interactions energy: -318.516 where: short stacking energy: -157.662 Base-Backbone interact. energy: 1.965 local terms energy: -268.824434 where: bonds (distance) C4'-P energy: -66.715 bonds (distance) P-C4' energy: -63.285 flat angles C4'-P-C4' energy: -74.539 flat angles P-C4'-P energy: -39.905 tors. eta vs tors. theta energy: -24.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -314.882849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.882849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.882849 (E_RNA) where: Base-Base interactions energy: -117.348 where: short stacking energy: -103.400 Base-Backbone interact. energy: -0.178 local terms energy: -197.356959 where: bonds (distance) C4'-P energy: -55.937 bonds (distance) P-C4' energy: -57.039 flat angles C4'-P-C4' energy: -58.394 flat angles P-C4'-P energy: -30.899 tors. eta vs tors. theta energy: 4.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -1387.690016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.690016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.690016 (E_RNA) where: Base-Base interactions energy: -966.808 where: short stacking energy: -396.972 Base-Backbone interact. energy: 3.659 local terms energy: -424.541155 where: bonds (distance) C4'-P energy: -64.441 bonds (distance) P-C4' energy: -77.923 flat angles C4'-P-C4' energy: -94.153 flat angles P-C4'-P energy: -63.639 tors. eta vs tors. theta energy: -124.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -1301.919098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.919098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.919098 (E_RNA) where: Base-Base interactions energy: -873.084 where: short stacking energy: -396.010 Base-Backbone interact. energy: -0.186 local terms energy: -428.648807 where: bonds (distance) C4'-P energy: -76.253 bonds (distance) P-C4' energy: -72.102 flat angles C4'-P-C4' energy: -87.930 flat angles P-C4'-P energy: -63.426 tors. eta vs tors. theta energy: -128.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -1219.526692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.526692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.526692 (E_RNA) where: Base-Base interactions energy: -820.955 where: short stacking energy: -380.793 Base-Backbone interact. energy: 0.644 local terms energy: -399.216133 where: bonds (distance) C4'-P energy: -80.036 bonds (distance) P-C4' energy: -67.975 flat angles C4'-P-C4' energy: -94.847 flat angles P-C4'-P energy: -44.445 tors. eta vs tors. theta energy: -111.913 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: 1 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -1175.319771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.319771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.319771 (E_RNA) where: Base-Base interactions energy: -790.758 where: short stacking energy: -366.509 Base-Backbone interact. energy: -1.781 local terms energy: -382.779898 where: bonds (distance) C4'-P energy: -60.840 bonds (distance) P-C4' energy: -72.246 flat angles C4'-P-C4' energy: -90.359 flat angles P-C4'-P energy: -53.869 tors. eta vs tors. theta energy: -105.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -1141.292000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.292000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.292000 (E_RNA) where: Base-Base interactions energy: -783.692 where: short stacking energy: -333.133 Base-Backbone interact. energy: -0.449 local terms energy: -357.150901 where: bonds (distance) C4'-P energy: -70.742 bonds (distance) P-C4' energy: -70.944 flat angles C4'-P-C4' energy: -73.688 flat angles P-C4'-P energy: -44.882 tors. eta vs tors. theta energy: -96.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -1088.600066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.600066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.600066 (E_RNA) where: Base-Base interactions energy: -739.941 where: short stacking energy: -294.074 Base-Backbone interact. energy: 0.557 local terms energy: -349.216233 where: bonds (distance) C4'-P energy: -61.036 bonds (distance) P-C4' energy: -73.768 flat angles C4'-P-C4' energy: -82.696 flat angles P-C4'-P energy: -50.578 tors. eta vs tors. theta energy: -81.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -813.980432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.980432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.980432 (E_RNA) where: Base-Base interactions energy: -503.095 where: short stacking energy: -224.801 Base-Backbone interact. energy: -0.310 local terms energy: -310.575306 where: bonds (distance) C4'-P energy: -73.210 bonds (distance) P-C4' energy: -79.349 flat angles C4'-P-C4' energy: -61.703 flat angles P-C4'-P energy: -50.036 tors. eta vs tors. theta energy: -46.277 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: 2 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -688.387684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.387684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.387684 (E_RNA) where: Base-Base interactions energy: -429.475 where: short stacking energy: -187.376 Base-Backbone interact. energy: -1.608 local terms energy: -257.304603 where: bonds (distance) C4'-P energy: -51.064 bonds (distance) P-C4' energy: -75.378 flat angles C4'-P-C4' energy: -51.884 flat angles P-C4'-P energy: -44.453 tors. eta vs tors. theta energy: -34.525 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: 4 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -543.511238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.511238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.511238 (E_RNA) where: Base-Base interactions energy: -312.443 where: short stacking energy: -164.175 Base-Backbone interact. energy: 1.209 local terms energy: -232.277126 where: bonds (distance) C4'-P energy: -56.847 bonds (distance) P-C4' energy: -54.589 flat angles C4'-P-C4' energy: -65.863 flat angles P-C4'-P energy: -26.972 tors. eta vs tors. theta energy: -28.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -318.378578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.378578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.378578 (E_RNA) where: Base-Base interactions energy: -113.258 where: short stacking energy: -99.553 Base-Backbone interact. energy: 1.589 local terms energy: -206.709326 where: bonds (distance) C4'-P energy: -65.384 bonds (distance) P-C4' energy: -64.854 flat angles C4'-P-C4' energy: -61.061 flat angles P-C4'-P energy: -38.912 tors. eta vs tors. theta energy: 23.502 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: 3 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -1406.359426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.359426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.359426 (E_RNA) where: Base-Base interactions energy: -973.738 where: short stacking energy: -406.547 Base-Backbone interact. energy: -3.831 local terms energy: -428.790493 where: bonds (distance) C4'-P energy: -84.384 bonds (distance) P-C4' energy: -71.253 flat angles C4'-P-C4' energy: -91.947 flat angles P-C4'-P energy: -54.866 tors. eta vs tors. theta energy: -126.341 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: 2, replica: 8 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -1299.259854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.259854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.259854 (E_RNA) where: Base-Base interactions energy: -871.627 where: short stacking energy: -387.651 Base-Backbone interact. energy: -0.787 local terms energy: -426.846633 where: bonds (distance) C4'-P energy: -76.805 bonds (distance) P-C4' energy: -73.725 flat angles C4'-P-C4' energy: -88.482 flat angles P-C4'-P energy: -64.391 tors. eta vs tors. theta energy: -123.444 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: 3, replica: 5 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -1233.781280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.781280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.781280 (E_RNA) where: Base-Base interactions energy: -829.746 where: short stacking energy: -379.824 Base-Backbone interact. energy: -1.128 local terms energy: -402.906761 where: bonds (distance) C4'-P energy: -77.561 bonds (distance) P-C4' energy: -76.271 flat angles C4'-P-C4' energy: -81.300 flat angles P-C4'-P energy: -59.901 tors. eta vs tors. theta energy: -107.874 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: 1 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -1186.465349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.465349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.465349 (E_RNA) where: Base-Base interactions energy: -796.677 where: short stacking energy: -353.766 Base-Backbone interact. energy: 0.127 local terms energy: -389.915667 where: bonds (distance) C4'-P energy: -66.525 bonds (distance) P-C4' energy: -74.465 flat angles C4'-P-C4' energy: -74.822 flat angles P-C4'-P energy: -59.083 tors. eta vs tors. theta energy: -115.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -1150.068624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.068624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.068624 (E_RNA) where: Base-Base interactions energy: -771.032 where: short stacking energy: -332.737 Base-Backbone interact. energy: 0.265 local terms energy: -379.301061 where: bonds (distance) C4'-P energy: -77.860 bonds (distance) P-C4' energy: -71.602 flat angles C4'-P-C4' energy: -85.377 flat angles P-C4'-P energy: -47.391 tors. eta vs tors. theta energy: -97.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -1060.185666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.185666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.185666 (E_RNA) where: Base-Base interactions energy: -723.941 where: short stacking energy: -311.544 Base-Backbone interact. energy: -2.805 local terms energy: -333.439741 where: bonds (distance) C4'-P energy: -57.245 bonds (distance) P-C4' energy: -74.974 flat angles C4'-P-C4' energy: -85.172 flat angles P-C4'-P energy: -35.959 tors. eta vs tors. theta energy: -80.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -829.333023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.333023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.333023 (E_RNA) where: Base-Base interactions energy: -536.303 where: short stacking energy: -243.005 Base-Backbone interact. energy: 0.837 local terms energy: -293.867804 where: bonds (distance) C4'-P energy: -69.631 bonds (distance) P-C4' energy: -64.385 flat angles C4'-P-C4' energy: -60.915 flat angles P-C4'-P energy: -50.114 tors. eta vs tors. theta energy: -48.823 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: 2 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -661.277369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.277369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.277369 (E_RNA) where: Base-Base interactions energy: -373.229 where: short stacking energy: -188.595 Base-Backbone interact. energy: -3.496 local terms energy: -284.552051 where: bonds (distance) C4'-P energy: -66.230 bonds (distance) P-C4' energy: -77.634 flat angles C4'-P-C4' energy: -69.106 flat angles P-C4'-P energy: -43.916 tors. eta vs tors. theta energy: -27.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -546.179346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.179346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.179346 (E_RNA) where: Base-Base interactions energy: -279.868 where: short stacking energy: -178.919 Base-Backbone interact. energy: 1.742 local terms energy: -268.052726 where: bonds (distance) C4'-P energy: -72.997 bonds (distance) P-C4' energy: -60.349 flat angles C4'-P-C4' energy: -73.849 flat angles P-C4'-P energy: -38.302 tors. eta vs tors. theta energy: -22.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -324.304119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.304119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.304119 (E_RNA) where: Base-Base interactions energy: -102.705 where: short stacking energy: -73.394 Base-Backbone interact. energy: -1.636 local terms energy: -219.962676 where: bonds (distance) C4'-P energy: -50.374 bonds (distance) P-C4' energy: -77.936 flat angles C4'-P-C4' energy: -68.647 flat angles P-C4'-P energy: -35.645 tors. eta vs tors. theta energy: 12.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -1386.650231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.650231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.650231 (E_RNA) where: Base-Base interactions energy: -965.515 where: short stacking energy: -399.416 Base-Backbone interact. energy: -4.698 local terms energy: -416.437454 where: bonds (distance) C4'-P energy: -84.700 bonds (distance) P-C4' energy: -75.512 flat angles C4'-P-C4' energy: -89.388 flat angles P-C4'-P energy: -48.273 tors. eta vs tors. theta energy: -118.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -1284.422021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.422021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.422021 (E_RNA) where: Base-Base interactions energy: -852.347 where: short stacking energy: -393.730 Base-Backbone interact. energy: -0.436 local terms energy: -431.638444 where: bonds (distance) C4'-P energy: -81.630 bonds (distance) P-C4' energy: -80.916 flat angles C4'-P-C4' energy: -96.508 flat angles P-C4'-P energy: -51.962 tors. eta vs tors. theta energy: -120.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -1191.942233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.942233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.942233 (E_RNA) where: Base-Base interactions energy: -797.145 where: short stacking energy: -368.892 Base-Backbone interact. energy: -0.440 local terms energy: -394.356996 where: bonds (distance) C4'-P energy: -75.157 bonds (distance) P-C4' energy: -78.022 flat angles C4'-P-C4' energy: -80.411 flat angles P-C4'-P energy: -53.765 tors. eta vs tors. theta energy: -107.001 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: 5 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -1194.756671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.756671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.756671 (E_RNA) where: Base-Base interactions energy: -775.771 where: short stacking energy: -368.123 Base-Backbone interact. energy: 1.064 local terms energy: -420.049037 where: bonds (distance) C4'-P energy: -83.282 bonds (distance) P-C4' energy: -78.914 flat angles C4'-P-C4' energy: -87.855 flat angles P-C4'-P energy: -58.302 tors. eta vs tors. theta energy: -111.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -1127.221501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.221501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.221501 (E_RNA) where: Base-Base interactions energy: -736.820 where: short stacking energy: -329.381 Base-Backbone interact. energy: 1.288 local terms energy: -391.689366 where: bonds (distance) C4'-P energy: -65.273 bonds (distance) P-C4' energy: -77.067 flat angles C4'-P-C4' energy: -92.906 flat angles P-C4'-P energy: -58.406 tors. eta vs tors. theta energy: -98.038 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: 320 Temperature: 1.150000 Total energy: -1062.973158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.973158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.973158 (E_RNA) where: Base-Base interactions energy: -753.015 where: short stacking energy: -295.713 Base-Backbone interact. energy: -0.647 local terms energy: -309.310942 where: bonds (distance) C4'-P energy: -65.628 bonds (distance) P-C4' energy: -71.385 flat angles C4'-P-C4' energy: -68.833 flat angles P-C4'-P energy: -33.288 tors. eta vs tors. theta energy: -70.176 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: 6 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -814.157778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.157778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.157778 (E_RNA) where: Base-Base interactions energy: -512.206 where: short stacking energy: -239.160 Base-Backbone interact. energy: 4.270 local terms energy: -306.221278 where: bonds (distance) C4'-P energy: -68.009 bonds (distance) P-C4' energy: -61.655 flat angles C4'-P-C4' energy: -60.340 flat angles P-C4'-P energy: -50.494 tors. eta vs tors. theta energy: -65.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -668.592919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.592919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.592919 (E_RNA) where: Base-Base interactions energy: -374.629 where: short stacking energy: -178.629 Base-Backbone interact. energy: -1.000 local terms energy: -292.963906 where: bonds (distance) C4'-P energy: -76.524 bonds (distance) P-C4' energy: -80.817 flat angles C4'-P-C4' energy: -65.712 flat angles P-C4'-P energy: -41.289 tors. eta vs tors. theta energy: -28.622 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: 4 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -474.900374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.900374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.900374 (E_RNA) where: Base-Base interactions energy: -238.024 where: short stacking energy: -147.906 Base-Backbone interact. energy: 3.158 local terms energy: -240.034495 where: bonds (distance) C4'-P energy: -55.767 bonds (distance) P-C4' energy: -77.603 flat angles C4'-P-C4' energy: -61.575 flat angles P-C4'-P energy: -29.093 tors. eta vs tors. theta energy: -15.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -337.511558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.511558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.511558 (E_RNA) where: Base-Base interactions energy: -105.810 where: short stacking energy: -82.173 Base-Backbone interact. energy: -2.647 local terms energy: -229.054823 where: bonds (distance) C4'-P energy: -73.703 bonds (distance) P-C4' energy: -67.570 flat angles C4'-P-C4' energy: -51.106 flat angles P-C4'-P energy: -49.470 tors. eta vs tors. theta energy: 12.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -1382.927183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.927183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.927183 (E_RNA) where: Base-Base interactions energy: -967.138 where: short stacking energy: -401.052 Base-Backbone interact. energy: 3.395 local terms energy: -419.184420 where: bonds (distance) C4'-P energy: -80.082 bonds (distance) P-C4' energy: -79.747 flat angles C4'-P-C4' energy: -89.802 flat angles P-C4'-P energy: -53.042 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: 2, replica: 8 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -1302.629060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.629060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.629060 (E_RNA) where: Base-Base interactions energy: -879.854 where: short stacking energy: -388.563 Base-Backbone interact. energy: 1.473 local terms energy: -424.247602 where: bonds (distance) C4'-P energy: -81.779 bonds (distance) P-C4' energy: -73.225 flat angles C4'-P-C4' energy: -90.146 flat angles P-C4'-P energy: -63.569 tors. eta vs tors. theta energy: -115.529 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: 1 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -1223.361182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.361182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.361182 (E_RNA) where: Base-Base interactions energy: -821.673 where: short stacking energy: -363.485 Base-Backbone interact. energy: 0.327 local terms energy: -402.015410 where: bonds (distance) C4'-P energy: -77.555 bonds (distance) P-C4' energy: -83.376 flat angles C4'-P-C4' energy: -86.524 flat angles P-C4'-P energy: -51.759 tors. eta vs tors. theta energy: -102.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -1159.197249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.197249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.197249 (E_RNA) where: Base-Base interactions energy: -774.460 where: short stacking energy: -355.444 Base-Backbone interact. energy: -0.185 local terms energy: -384.552512 where: bonds (distance) C4'-P energy: -65.446 bonds (distance) P-C4' energy: -82.523 flat angles C4'-P-C4' energy: -78.226 flat angles P-C4'-P energy: -53.038 tors. eta vs tors. theta energy: -105.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -1081.713062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.713062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.713062 (E_RNA) where: Base-Base interactions energy: -709.904 where: short stacking energy: -312.503 Base-Backbone interact. energy: 0.704 local terms energy: -372.512649 where: bonds (distance) C4'-P energy: -57.314 bonds (distance) P-C4' energy: -81.784 flat angles C4'-P-C4' energy: -79.055 flat angles P-C4'-P energy: -56.257 tors. eta vs tors. theta energy: -98.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -1026.993001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.993001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.993001 (E_RNA) where: Base-Base interactions energy: -684.774 where: short stacking energy: -293.959 Base-Backbone interact. energy: -1.963 local terms energy: -340.255925 where: bonds (distance) C4'-P energy: -76.586 bonds (distance) P-C4' energy: -73.343 flat angles C4'-P-C4' energy: -72.017 flat angles P-C4'-P energy: -55.496 tors. eta vs tors. theta energy: -62.814 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: 6 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -809.827886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.827886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.827886 (E_RNA) where: Base-Base interactions energy: -502.421 where: short stacking energy: -217.881 Base-Backbone interact. energy: -0.962 local terms energy: -306.444677 where: bonds (distance) C4'-P energy: -73.388 bonds (distance) P-C4' energy: -72.980 flat angles C4'-P-C4' energy: -71.205 flat angles P-C4'-P energy: -45.814 tors. eta vs tors. theta energy: -43.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -684.480397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.480397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.480397 (E_RNA) where: Base-Base interactions energy: -389.256 where: short stacking energy: -186.022 Base-Backbone interact. energy: 1.779 local terms energy: -297.003367 where: bonds (distance) C4'-P energy: -76.184 bonds (distance) P-C4' energy: -78.354 flat angles C4'-P-C4' energy: -53.871 flat angles P-C4'-P energy: -49.831 tors. eta vs tors. theta energy: -38.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -466.895620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.895620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.895620 (E_RNA) where: Base-Base interactions energy: -231.774 where: short stacking energy: -123.665 Base-Backbone interact. energy: -3.223 local terms energy: -231.899013 where: bonds (distance) C4'-P energy: -65.902 bonds (distance) P-C4' energy: -70.747 flat angles C4'-P-C4' energy: -64.149 flat angles P-C4'-P energy: -21.130 tors. eta vs tors. theta energy: -9.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -318.292388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.292388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.292388 (E_RNA) where: Base-Base interactions energy: -115.727 where: short stacking energy: -74.666 Base-Backbone interact. energy: -1.628 local terms energy: -200.937275 where: bonds (distance) C4'-P energy: -67.975 bonds (distance) P-C4' energy: -64.057 flat angles C4'-P-C4' energy: -51.958 flat angles P-C4'-P energy: -39.934 tors. eta vs tors. theta energy: 22.987 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: 1, replica: 3 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -1375.032752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.032752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.032752 (E_RNA) where: Base-Base interactions energy: -975.266 where: short stacking energy: -392.316 Base-Backbone interact. energy: 4.391 local terms energy: -404.157360 where: bonds (distance) C4'-P energy: -74.605 bonds (distance) P-C4' energy: -71.887 flat angles C4'-P-C4' energy: -79.197 flat angles P-C4'-P energy: -58.929 tors. eta vs tors. theta energy: -119.539 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: 322 Temperature: 0.950000 Total energy: -1317.396761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.396761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.396761 (E_RNA) where: Base-Base interactions energy: -872.111 where: short stacking energy: -400.891 Base-Backbone interact. energy: -0.589 local terms energy: -444.696569 where: bonds (distance) C4'-P energy: -88.265 bonds (distance) P-C4' energy: -83.730 flat angles C4'-P-C4' energy: -88.934 flat angles P-C4'-P energy: -63.244 tors. eta vs tors. theta energy: -120.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -1228.915188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.915188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.915188 (E_RNA) where: Base-Base interactions energy: -806.837 where: short stacking energy: -366.698 Base-Backbone interact. energy: -2.394 local terms energy: -419.684815 where: bonds (distance) C4'-P energy: -91.530 bonds (distance) P-C4' energy: -79.217 flat angles C4'-P-C4' energy: -87.432 flat angles P-C4'-P energy: -54.460 tors. eta vs tors. theta energy: -107.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -1163.585271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.585271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.585271 (E_RNA) where: Base-Base interactions energy: -777.345 where: short stacking energy: -347.446 Base-Backbone interact. energy: -1.752 local terms energy: -384.488431 where: bonds (distance) C4'-P energy: -75.628 bonds (distance) P-C4' energy: -67.594 flat angles C4'-P-C4' energy: -90.653 flat angles P-C4'-P energy: -45.864 tors. eta vs tors. theta energy: -104.750 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: 7 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -1124.373279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.373279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.373279 (E_RNA) where: Base-Base interactions energy: -754.573 where: short stacking energy: -332.000 Base-Backbone interact. energy: -2.886 local terms energy: -366.914414 where: bonds (distance) C4'-P energy: -66.778 bonds (distance) P-C4' energy: -58.266 flat angles C4'-P-C4' energy: -94.450 flat angles P-C4'-P energy: -47.362 tors. eta vs tors. theta energy: -100.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -1004.093011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.093011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.093011 (E_RNA) where: Base-Base interactions energy: -667.940 where: short stacking energy: -286.875 Base-Backbone interact. energy: -2.336 local terms energy: -333.817009 where: bonds (distance) C4'-P energy: -62.697 bonds (distance) P-C4' energy: -68.284 flat angles C4'-P-C4' energy: -78.012 flat angles P-C4'-P energy: -46.775 tors. eta vs tors. theta energy: -78.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -835.146779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.146779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.146779 (E_RNA) where: Base-Base interactions energy: -505.657 where: short stacking energy: -226.606 Base-Backbone interact. energy: -0.580 local terms energy: -328.909478 where: bonds (distance) C4'-P energy: -76.561 bonds (distance) P-C4' energy: -89.834 flat angles C4'-P-C4' energy: -59.237 flat angles P-C4'-P energy: -55.122 tors. eta vs tors. theta energy: -48.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -673.045888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.045888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.045888 (E_RNA) where: Base-Base interactions energy: -390.377 where: short stacking energy: -181.363 Base-Backbone interact. energy: 0.299 local terms energy: -282.967426 where: bonds (distance) C4'-P energy: -70.179 bonds (distance) P-C4' energy: -73.337 flat angles C4'-P-C4' energy: -65.332 flat angles P-C4'-P energy: -43.230 tors. eta vs tors. theta energy: -30.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -463.640616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.640616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.640616 (E_RNA) where: Base-Base interactions energy: -232.981 where: short stacking energy: -118.020 Base-Backbone interact. energy: -2.999 local terms energy: -227.661309 where: bonds (distance) C4'-P energy: -67.504 bonds (distance) P-C4' energy: -71.191 flat angles C4'-P-C4' energy: -54.604 flat angles P-C4'-P energy: -22.873 tors. eta vs tors. theta energy: -11.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -327.386724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.386724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.386724 (E_RNA) where: Base-Base interactions energy: -108.526 where: short stacking energy: -97.888 Base-Backbone interact. energy: -0.490 local terms energy: -218.371068 where: bonds (distance) C4'-P energy: -56.102 bonds (distance) P-C4' energy: -73.643 flat angles C4'-P-C4' energy: -60.221 flat angles P-C4'-P energy: -32.396 tors. eta vs tors. theta energy: 3.990 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: 3 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -1392.783824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.783824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.783824 (E_RNA) where: Base-Base interactions energy: -968.485 where: short stacking energy: -396.859 Base-Backbone interact. energy: -1.283 local terms energy: -423.015685 where: bonds (distance) C4'-P energy: -80.677 bonds (distance) P-C4' energy: -78.986 flat angles C4'-P-C4' energy: -84.239 flat angles P-C4'-P energy: -63.598 tors. eta vs tors. theta energy: -115.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -1319.783937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.783937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.783937 (E_RNA) where: Base-Base interactions energy: -897.059 where: short stacking energy: -389.375 Base-Backbone interact. energy: -0.820 local terms energy: -421.905695 where: bonds (distance) C4'-P energy: -62.480 bonds (distance) P-C4' energy: -79.700 flat angles C4'-P-C4' energy: -89.258 flat angles P-C4'-P energy: -64.083 tors. eta vs tors. theta energy: -126.385 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: 323 Temperature: 1.000000 Total energy: -1218.266289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.266289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.266289 (E_RNA) where: Base-Base interactions energy: -828.277 where: short stacking energy: -385.731 Base-Backbone interact. energy: -1.543 local terms energy: -388.445708 where: bonds (distance) C4'-P energy: -69.573 bonds (distance) P-C4' energy: -81.285 flat angles C4'-P-C4' energy: -76.170 flat angles P-C4'-P energy: -54.479 tors. eta vs tors. theta energy: -106.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -1192.085712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.085712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.085712 (E_RNA) where: Base-Base interactions energy: -793.695 where: short stacking energy: -346.192 Base-Backbone interact. energy: -0.533 local terms energy: -397.857168 where: bonds (distance) C4'-P energy: -72.537 bonds (distance) P-C4' energy: -80.028 flat angles C4'-P-C4' energy: -87.825 flat angles P-C4'-P energy: -56.046 tors. eta vs tors. theta energy: -101.420 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: 5 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -1137.844830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.844830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.844830 (E_RNA) where: Base-Base interactions energy: -723.886 where: short stacking energy: -325.439 Base-Backbone interact. energy: -2.856 local terms energy: -411.102548 where: bonds (distance) C4'-P energy: -73.768 bonds (distance) P-C4' energy: -85.046 flat angles C4'-P-C4' energy: -95.289 flat angles P-C4'-P energy: -53.426 tors. eta vs tors. theta energy: -103.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -1096.197185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.197185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.197185 (E_RNA) where: Base-Base interactions energy: -733.403 where: short stacking energy: -330.115 Base-Backbone interact. energy: -0.608 local terms energy: -362.186006 where: bonds (distance) C4'-P energy: -72.640 bonds (distance) P-C4' energy: -57.232 flat angles C4'-P-C4' energy: -84.013 flat angles P-C4'-P energy: -49.461 tors. eta vs tors. theta energy: -98.839 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: 6 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -861.958372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.958372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.958372 (E_RNA) where: Base-Base interactions energy: -538.004 where: short stacking energy: -241.905 Base-Backbone interact. energy: -1.457 local terms energy: -322.497159 where: bonds (distance) C4'-P energy: -64.970 bonds (distance) P-C4' energy: -72.431 flat angles C4'-P-C4' energy: -72.431 flat angles P-C4'-P energy: -51.269 tors. eta vs tors. theta energy: -61.396 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: 2 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -689.778906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.778906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.778906 (E_RNA) where: Base-Base interactions energy: -404.976 where: short stacking energy: -206.263 Base-Backbone interact. energy: 4.467 local terms energy: -289.269142 where: bonds (distance) C4'-P energy: -67.387 bonds (distance) P-C4' energy: -74.483 flat angles C4'-P-C4' energy: -67.137 flat angles P-C4'-P energy: -39.644 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: 9, replica: 4 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -461.060508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.060508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.060508 (E_RNA) where: Base-Base interactions energy: -228.576 where: short stacking energy: -132.028 Base-Backbone interact. energy: -2.484 local terms energy: -230.000559 where: bonds (distance) C4'-P energy: -83.297 bonds (distance) P-C4' energy: -76.701 flat angles C4'-P-C4' energy: -63.905 flat angles P-C4'-P energy: -6.520 tors. eta vs tors. theta energy: 0.422 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: 10, replica: 10 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -312.147817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.147817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.147817 (E_RNA) where: Base-Base interactions energy: -99.475 where: short stacking energy: -83.147 Base-Backbone interact. energy: 1.884 local terms energy: -214.557364 where: bonds (distance) C4'-P energy: -78.469 bonds (distance) P-C4' energy: -64.337 flat angles C4'-P-C4' energy: -56.542 flat angles P-C4'-P energy: -28.394 tors. eta vs tors. theta energy: 13.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -1401.203258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.203258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.203258 (E_RNA) where: Base-Base interactions energy: -967.533 where: short stacking energy: -413.318 Base-Backbone interact. energy: -3.944 local terms energy: -429.726617 where: bonds (distance) C4'-P energy: -81.309 bonds (distance) P-C4' energy: -84.438 flat angles C4'-P-C4' energy: -83.229 flat angles P-C4'-P energy: -63.399 tors. eta vs tors. theta energy: -117.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -1312.452652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.452652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.452652 (E_RNA) where: Base-Base interactions energy: -892.062 where: short stacking energy: -396.973 Base-Backbone interact. energy: 0.867 local terms energy: -421.257705 where: bonds (distance) C4'-P energy: -68.261 bonds (distance) P-C4' energy: -77.883 flat angles C4'-P-C4' energy: -84.343 flat angles P-C4'-P energy: -64.079 tors. eta vs tors. theta energy: -126.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -1218.126444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.126444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.126444 (E_RNA) where: Base-Base interactions energy: -819.205 where: short stacking energy: -348.197 Base-Backbone interact. energy: -1.328 local terms energy: -397.593895 where: bonds (distance) C4'-P energy: -76.432 bonds (distance) P-C4' energy: -73.263 flat angles C4'-P-C4' energy: -92.865 flat angles P-C4'-P energy: -55.663 tors. eta vs tors. theta energy: -99.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -1164.735206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.735206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.735206 (E_RNA) where: Base-Base interactions energy: -808.742 where: short stacking energy: -358.695 Base-Backbone interact. energy: -2.315 local terms energy: -353.677761 where: bonds (distance) C4'-P energy: -75.460 bonds (distance) P-C4' energy: -67.283 flat angles C4'-P-C4' energy: -72.829 flat angles P-C4'-P energy: -36.672 tors. eta vs tors. theta energy: -101.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -1119.074885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.074885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.074885 (E_RNA) where: Base-Base interactions energy: -741.761 where: short stacking energy: -332.614 Base-Backbone interact. energy: 0.225 local terms energy: -377.538921 where: bonds (distance) C4'-P energy: -67.587 bonds (distance) P-C4' energy: -70.119 flat angles C4'-P-C4' energy: -83.529 flat angles P-C4'-P energy: -46.064 tors. eta vs tors. theta energy: -110.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -1041.257246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.257246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.257246 (E_RNA) where: Base-Base interactions energy: -721.826 where: short stacking energy: -303.141 Base-Backbone interact. energy: 0.678 local terms energy: -320.109123 where: bonds (distance) C4'-P energy: -57.915 bonds (distance) P-C4' energy: -71.105 flat angles C4'-P-C4' energy: -77.829 flat angles P-C4'-P energy: -41.526 tors. eta vs tors. theta energy: -71.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -820.986368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.986368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.986368 (E_RNA) where: Base-Base interactions energy: -501.686 where: short stacking energy: -220.076 Base-Backbone interact. energy: 0.808 local terms energy: -320.109255 where: bonds (distance) C4'-P energy: -54.203 bonds (distance) P-C4' energy: -76.166 flat angles C4'-P-C4' energy: -74.212 flat angles P-C4'-P energy: -56.611 tors. eta vs tors. theta energy: -58.918 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: 2 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -680.182365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.182365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.182365 (E_RNA) where: Base-Base interactions energy: -406.332 where: short stacking energy: -196.976 Base-Backbone interact. energy: 0.483 local terms energy: -274.333464 where: bonds (distance) C4'-P energy: -52.441 bonds (distance) P-C4' energy: -75.608 flat angles C4'-P-C4' energy: -69.134 flat angles P-C4'-P energy: -39.244 tors. eta vs tors. theta energy: -37.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -518.363332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.363332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.363332 (E_RNA) where: Base-Base interactions energy: -272.768 where: short stacking energy: -139.714 Base-Backbone interact. energy: 2.035 local terms energy: -247.630299 where: bonds (distance) C4'-P energy: -71.142 bonds (distance) P-C4' energy: -69.850 flat angles C4'-P-C4' energy: -66.883 flat angles P-C4'-P energy: -32.308 tors. eta vs tors. theta energy: -7.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -371.594719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.594719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.594719 (E_RNA) where: Base-Base interactions energy: -161.116 where: short stacking energy: -100.047 Base-Backbone interact. energy: -0.678 local terms energy: -209.800967 where: bonds (distance) C4'-P energy: -49.208 bonds (distance) P-C4' energy: -54.468 flat angles C4'-P-C4' energy: -74.120 flat angles P-C4'-P energy: -37.855 tors. eta vs tors. theta energy: 5.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -1389.441928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.441928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.441928 (E_RNA) where: Base-Base interactions energy: -975.185 where: short stacking energy: -395.597 Base-Backbone interact. energy: 2.265 local terms energy: -416.521722 where: bonds (distance) C4'-P energy: -71.015 bonds (distance) P-C4' energy: -69.668 flat angles C4'-P-C4' energy: -88.942 flat angles P-C4'-P energy: -69.293 tors. eta vs tors. theta energy: -117.604 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: 8 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -1292.190865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.190865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.190865 (E_RNA) where: Base-Base interactions energy: -863.831 where: short stacking energy: -372.667 Base-Backbone interact. energy: -1.189 local terms energy: -427.170347 where: bonds (distance) C4'-P energy: -81.031 bonds (distance) P-C4' energy: -78.399 flat angles C4'-P-C4' energy: -81.986 flat angles P-C4'-P energy: -63.986 tors. eta vs tors. theta energy: -121.769 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: 7 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -1170.590865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.590865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.590865 (E_RNA) where: Base-Base interactions energy: -796.548 where: short stacking energy: -363.922 Base-Backbone interact. energy: -0.321 local terms energy: -373.721231 where: bonds (distance) C4'-P energy: -53.605 bonds (distance) P-C4' energy: -75.715 flat angles C4'-P-C4' energy: -90.953 flat angles P-C4'-P energy: -52.860 tors. eta vs tors. theta energy: -100.589 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: 1 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -1139.124062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.124062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.124062 (E_RNA) where: Base-Base interactions energy: -753.216 where: short stacking energy: -345.576 Base-Backbone interact. energy: -1.480 local terms energy: -384.427907 where: bonds (distance) C4'-P energy: -69.206 bonds (distance) P-C4' energy: -82.085 flat angles C4'-P-C4' energy: -87.799 flat angles P-C4'-P energy: -54.327 tors. eta vs tors. theta energy: -91.010 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: 5 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -1186.707956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.707956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.707956 (E_RNA) where: Base-Base interactions energy: -802.541 where: short stacking energy: -356.289 Base-Backbone interact. energy: -0.810 local terms energy: -383.356862 where: bonds (distance) C4'-P energy: -80.948 bonds (distance) P-C4' energy: -66.143 flat angles C4'-P-C4' energy: -84.918 flat angles P-C4'-P energy: -43.052 tors. eta vs tors. theta energy: -108.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -1049.805708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.805708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.805708 (E_RNA) where: Base-Base interactions energy: -735.877 where: short stacking energy: -295.917 Base-Backbone interact. energy: -2.249 local terms energy: -311.679490 where: bonds (distance) C4'-P energy: -68.836 bonds (distance) P-C4' energy: -61.709 flat angles C4'-P-C4' energy: -70.430 flat angles P-C4'-P energy: -45.997 tors. eta vs tors. theta energy: -64.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -839.644154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.644154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.644154 (E_RNA) where: Base-Base interactions energy: -529.956 where: short stacking energy: -253.009 Base-Backbone interact. energy: -0.084 local terms energy: -309.604555 where: bonds (distance) C4'-P energy: -61.318 bonds (distance) P-C4' energy: -75.053 flat angles C4'-P-C4' energy: -68.177 flat angles P-C4'-P energy: -48.710 tors. eta vs tors. theta energy: -56.347 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: 2 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -659.797077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.797077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.797077 (E_RNA) where: Base-Base interactions energy: -379.948 where: short stacking energy: -197.323 Base-Backbone interact. energy: -0.687 local terms energy: -279.161635 where: bonds (distance) C4'-P energy: -68.320 bonds (distance) P-C4' energy: -66.229 flat angles C4'-P-C4' energy: -57.083 flat angles P-C4'-P energy: -43.579 tors. eta vs tors. theta energy: -43.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -473.964469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.964469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.964469 (E_RNA) where: Base-Base interactions energy: -237.944 where: short stacking energy: -142.695 Base-Backbone interact. energy: -0.711 local terms energy: -235.309333 where: bonds (distance) C4'-P energy: -54.700 bonds (distance) P-C4' energy: -73.728 flat angles C4'-P-C4' energy: -74.805 flat angles P-C4'-P energy: -25.104 tors. eta vs tors. theta energy: -6.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -379.298522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.298522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.298522 (E_RNA) where: Base-Base interactions energy: -148.667 where: short stacking energy: -93.239 Base-Backbone interact. energy: -1.173 local terms energy: -229.459119 where: bonds (distance) C4'-P energy: -69.934 bonds (distance) P-C4' energy: -73.003 flat angles C4'-P-C4' energy: -56.101 flat angles P-C4'-P energy: -34.320 tors. eta vs tors. theta energy: 3.900 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: 3 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -1397.721537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.721537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.721537 (E_RNA) where: Base-Base interactions energy: -960.882 where: short stacking energy: -393.651 Base-Backbone interact. energy: -1.286 local terms energy: -435.553418 where: bonds (distance) C4'-P energy: -89.284 bonds (distance) P-C4' energy: -79.612 flat angles C4'-P-C4' energy: -96.275 flat angles P-C4'-P energy: -63.001 tors. eta vs tors. theta energy: -107.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -1315.975706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.975706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.975706 (E_RNA) where: Base-Base interactions energy: -883.691 where: short stacking energy: -414.165 Base-Backbone interact. energy: -1.059 local terms energy: -431.226043 where: bonds (distance) C4'-P energy: -69.660 bonds (distance) P-C4' energy: -84.663 flat angles C4'-P-C4' energy: -92.504 flat angles P-C4'-P energy: -49.063 tors. eta vs tors. theta energy: -135.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -1143.943608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.943608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.943608 (E_RNA) where: Base-Base interactions energy: -746.271 where: short stacking energy: -321.760 Base-Backbone interact. energy: -1.824 local terms energy: -395.848466 where: bonds (distance) C4'-P energy: -70.672 bonds (distance) P-C4' energy: -83.870 flat angles C4'-P-C4' energy: -89.342 flat angles P-C4'-P energy: -57.786 tors. eta vs tors. theta energy: -94.179 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: 7 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -1157.867841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.867841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.867841 (E_RNA) where: Base-Base interactions energy: -780.463 where: short stacking energy: -325.212 Base-Backbone interact. energy: -1.200 local terms energy: -376.204526 where: bonds (distance) C4'-P energy: -76.474 bonds (distance) P-C4' energy: -80.285 flat angles C4'-P-C4' energy: -81.520 flat angles P-C4'-P energy: -58.551 tors. eta vs tors. theta energy: -79.374 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: 5 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -1162.704666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.704666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.704666 (E_RNA) where: Base-Base interactions energy: -780.020 where: short stacking energy: -358.306 Base-Backbone interact. energy: 0.757 local terms energy: -383.442229 where: bonds (distance) C4'-P energy: -67.245 bonds (distance) P-C4' energy: -71.761 flat angles C4'-P-C4' energy: -89.511 flat angles P-C4'-P energy: -50.474 tors. eta vs tors. theta energy: -104.451 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: 6, replica: 9 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -1030.870774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.870774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.870774 (E_RNA) where: Base-Base interactions energy: -697.861 where: short stacking energy: -287.819 Base-Backbone interact. energy: -1.664 local terms energy: -331.346504 where: bonds (distance) C4'-P energy: -71.611 bonds (distance) P-C4' energy: -78.844 flat angles C4'-P-C4' energy: -69.532 flat angles P-C4'-P energy: -46.794 tors. eta vs tors. theta energy: -64.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -760.374570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.374570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.374570 (E_RNA) where: Base-Base interactions energy: -465.453 where: short stacking energy: -213.706 Base-Backbone interact. energy: -1.803 local terms energy: -293.117697 where: bonds (distance) C4'-P energy: -73.254 bonds (distance) P-C4' energy: -72.111 flat angles C4'-P-C4' energy: -65.651 flat angles P-C4'-P energy: -39.308 tors. eta vs tors. theta energy: -42.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -644.326623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.326623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.326623 (E_RNA) where: Base-Base interactions energy: -363.411 where: short stacking energy: -174.848 Base-Backbone interact. energy: -0.650 local terms energy: -280.265870 where: bonds (distance) C4'-P energy: -74.536 bonds (distance) P-C4' energy: -75.044 flat angles C4'-P-C4' energy: -64.715 flat angles P-C4'-P energy: -39.640 tors. eta vs tors. theta energy: -26.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -471.336693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.336693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.336693 (E_RNA) where: Base-Base interactions energy: -220.938 where: short stacking energy: -152.388 Base-Backbone interact. energy: -1.539 local terms energy: -248.859819 where: bonds (distance) C4'-P energy: -71.271 bonds (distance) P-C4' energy: -80.905 flat angles C4'-P-C4' energy: -47.147 flat angles P-C4'-P energy: -36.017 tors. eta vs tors. theta energy: -13.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -400.159164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.159164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.159164 (E_RNA) where: Base-Base interactions energy: -158.570 where: short stacking energy: -118.803 Base-Backbone interact. energy: -0.533 local terms energy: -241.055513 where: bonds (distance) C4'-P energy: -70.618 bonds (distance) P-C4' energy: -79.735 flat angles C4'-P-C4' energy: -53.324 flat angles P-C4'-P energy: -29.636 tors. eta vs tors. theta energy: -7.742 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: 3 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -1419.083369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.083369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.083369 (E_RNA) where: Base-Base interactions energy: -962.790 where: short stacking energy: -393.605 Base-Backbone interact. energy: -5.062 local terms energy: -451.231730 where: bonds (distance) C4'-P energy: -80.416 bonds (distance) P-C4' energy: -92.453 flat angles C4'-P-C4' energy: -93.116 flat angles P-C4'-P energy: -60.601 tors. eta vs tors. theta energy: -124.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -1316.235310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.235310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.235310 (E_RNA) where: Base-Base interactions energy: -875.586 where: short stacking energy: -395.020 Base-Backbone interact. energy: -0.697 local terms energy: -439.951690 where: bonds (distance) C4'-P energy: -76.111 bonds (distance) P-C4' energy: -85.195 flat angles C4'-P-C4' energy: -88.815 flat angles P-C4'-P energy: -63.571 tors. eta vs tors. theta energy: -126.260 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: 3, replica: 1 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -1163.758870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.758870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.758870 (E_RNA) where: Base-Base interactions energy: -763.288 where: short stacking energy: -347.988 Base-Backbone interact. energy: -1.930 local terms energy: -398.540664 where: bonds (distance) C4'-P energy: -73.961 bonds (distance) P-C4' energy: -82.892 flat angles C4'-P-C4' energy: -78.914 flat angles P-C4'-P energy: -61.678 tors. eta vs tors. theta energy: -101.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -1167.795039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.795039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.795039 (E_RNA) where: Base-Base interactions energy: -771.950 where: short stacking energy: -360.952 Base-Backbone interact. energy: -0.157 local terms energy: -395.687672 where: bonds (distance) C4'-P energy: -64.873 bonds (distance) P-C4' energy: -74.069 flat angles C4'-P-C4' energy: -89.950 flat angles P-C4'-P energy: -58.780 tors. eta vs tors. theta energy: -108.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -1146.791896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.791896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.791896 (E_RNA) where: Base-Base interactions energy: -786.374 where: short stacking energy: -357.022 Base-Backbone interact. energy: 1.278 local terms energy: -361.695688 where: bonds (distance) C4'-P energy: -70.921 bonds (distance) P-C4' energy: -51.559 flat angles C4'-P-C4' energy: -88.264 flat angles P-C4'-P energy: -48.139 tors. eta vs tors. theta energy: -102.813 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: 9 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -1047.033930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.033930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.033930 (E_RNA) where: Base-Base interactions energy: -705.823 where: short stacking energy: -303.295 Base-Backbone interact. energy: -0.971 local terms energy: -340.239662 where: bonds (distance) C4'-P energy: -70.214 bonds (distance) P-C4' energy: -55.219 flat angles C4'-P-C4' energy: -85.006 flat angles P-C4'-P energy: -50.087 tors. eta vs tors. theta energy: -79.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -779.291543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.291543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.291543 (E_RNA) where: Base-Base interactions energy: -460.019 where: short stacking energy: -223.602 Base-Backbone interact. energy: -0.631 local terms energy: -318.640821 where: bonds (distance) C4'-P energy: -67.683 bonds (distance) P-C4' energy: -84.460 flat angles C4'-P-C4' energy: -76.293 flat angles P-C4'-P energy: -39.453 tors. eta vs tors. theta energy: -50.751 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: 2 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -642.388674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.388674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.388674 (E_RNA) where: Base-Base interactions energy: -338.674 where: short stacking energy: -165.361 Base-Backbone interact. energy: -0.351 local terms energy: -303.364438 where: bonds (distance) C4'-P energy: -69.693 bonds (distance) P-C4' energy: -73.029 flat angles C4'-P-C4' energy: -73.337 flat angles P-C4'-P energy: -47.287 tors. eta vs tors. theta energy: -40.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -520.557926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.557926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.557926 (E_RNA) where: Base-Base interactions energy: -279.403 where: short stacking energy: -144.653 Base-Backbone interact. energy: 2.331 local terms energy: -243.486195 where: bonds (distance) C4'-P energy: -72.648 bonds (distance) P-C4' energy: -74.592 flat angles C4'-P-C4' energy: -51.786 flat angles P-C4'-P energy: -28.347 tors. eta vs tors. theta energy: -16.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -390.789742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.789742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.789742 (E_RNA) where: Base-Base interactions energy: -177.789 where: short stacking energy: -112.652 Base-Backbone interact. energy: 2.457 local terms energy: -215.458009 where: bonds (distance) C4'-P energy: -72.418 bonds (distance) P-C4' energy: -60.740 flat angles C4'-P-C4' energy: -55.851 flat angles P-C4'-P energy: -37.876 tors. eta vs tors. theta energy: 11.427 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: 3 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -1388.170461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.170461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.170461 (E_RNA) where: Base-Base interactions energy: -951.913 where: short stacking energy: -389.678 Base-Backbone interact. energy: 4.683 local terms energy: -440.940413 where: bonds (distance) C4'-P energy: -87.890 bonds (distance) P-C4' energy: -83.036 flat angles C4'-P-C4' energy: -94.369 flat angles P-C4'-P energy: -54.479 tors. eta vs tors. theta energy: -121.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -1322.981775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.981775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.981775 (E_RNA) where: Base-Base interactions energy: -873.744 where: short stacking energy: -397.866 Base-Backbone interact. energy: -1.746 local terms energy: -447.491543 where: bonds (distance) C4'-P energy: -81.332 bonds (distance) P-C4' energy: -83.421 flat angles C4'-P-C4' energy: -91.991 flat angles P-C4'-P energy: -62.344 tors. eta vs tors. theta energy: -128.403 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: 328 Temperature: 1.000000 Total energy: -1192.969082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.969082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.969082 (E_RNA) where: Base-Base interactions energy: -798.213 where: short stacking energy: -358.163 Base-Backbone interact. energy: -1.489 local terms energy: -393.266447 where: bonds (distance) C4'-P energy: -75.855 bonds (distance) P-C4' energy: -76.335 flat angles C4'-P-C4' energy: -91.696 flat angles P-C4'-P energy: -42.076 tors. eta vs tors. theta energy: -107.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -1152.462615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.462615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.462615 (E_RNA) where: Base-Base interactions energy: -782.541 where: short stacking energy: -327.975 Base-Backbone interact. energy: 4.769 local terms energy: -374.690702 where: bonds (distance) C4'-P energy: -63.822 bonds (distance) P-C4' energy: -78.525 flat angles C4'-P-C4' energy: -80.812 flat angles P-C4'-P energy: -58.224 tors. eta vs tors. theta energy: -93.308 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: 5 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -1121.057944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.057944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.057944 (E_RNA) where: Base-Base interactions energy: -750.189 where: short stacking energy: -346.284 Base-Backbone interact. energy: 0.082 local terms energy: -370.951020 where: bonds (distance) C4'-P energy: -65.319 bonds (distance) P-C4' energy: -63.466 flat angles C4'-P-C4' energy: -91.693 flat angles P-C4'-P energy: -50.337 tors. eta vs tors. theta energy: -100.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -1081.115025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.115025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.115025 (E_RNA) where: Base-Base interactions energy: -722.175 where: short stacking energy: -314.407 Base-Backbone interact. energy: -0.713 local terms energy: -358.227578 where: bonds (distance) C4'-P energy: -81.956 bonds (distance) P-C4' energy: -66.376 flat angles C4'-P-C4' energy: -71.691 flat angles P-C4'-P energy: -48.581 tors. eta vs tors. theta energy: -89.624 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: 6 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -812.550908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.550908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.550908 (E_RNA) where: Base-Base interactions energy: -511.150 where: short stacking energy: -221.098 Base-Backbone interact. energy: -2.460 local terms energy: -298.940571 where: bonds (distance) C4'-P energy: -65.488 bonds (distance) P-C4' energy: -73.276 flat angles C4'-P-C4' energy: -70.532 flat angles P-C4'-P energy: -47.367 tors. eta vs tors. theta energy: -42.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -570.426400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.426400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.426400 (E_RNA) where: Base-Base interactions energy: -301.320 where: short stacking energy: -148.015 Base-Backbone interact. energy: -0.926 local terms energy: -268.180858 where: bonds (distance) C4'-P energy: -74.818 bonds (distance) P-C4' energy: -82.215 flat angles C4'-P-C4' energy: -57.633 flat angles P-C4'-P energy: -27.055 tors. eta vs tors. theta energy: -26.460 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: 9, replica: 4 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -495.152835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.152835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.152835 (E_RNA) where: Base-Base interactions energy: -249.128 where: short stacking energy: -156.831 Base-Backbone interact. energy: -0.442 local terms energy: -245.582220 where: bonds (distance) C4'-P energy: -57.799 bonds (distance) P-C4' energy: -71.633 flat angles C4'-P-C4' energy: -57.416 flat angles P-C4'-P energy: -39.873 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: 10, replica: 10 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -333.180391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.180391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.180391 (E_RNA) where: Base-Base interactions energy: -124.706 where: short stacking energy: -104.359 Base-Backbone interact. energy: 0.337 local terms energy: -208.811365 where: bonds (distance) C4'-P energy: -68.898 bonds (distance) P-C4' energy: -61.034 flat angles C4'-P-C4' energy: -51.346 flat angles P-C4'-P energy: -30.489 tors. eta vs tors. theta energy: 2.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -1370.351610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.351610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.351610 (E_RNA) where: Base-Base interactions energy: -939.772 where: short stacking energy: -386.084 Base-Backbone interact. energy: -0.289 local terms energy: -430.289991 where: bonds (distance) C4'-P energy: -81.161 bonds (distance) P-C4' energy: -84.428 flat angles C4'-P-C4' energy: -85.853 flat angles P-C4'-P energy: -61.897 tors. eta vs tors. theta energy: -116.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -1321.465898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.465898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.465898 (E_RNA) where: Base-Base interactions energy: -890.920 where: short stacking energy: -400.717 Base-Backbone interact. energy: -0.085 local terms energy: -430.461481 where: bonds (distance) C4'-P energy: -74.287 bonds (distance) P-C4' energy: -77.450 flat angles C4'-P-C4' energy: -99.615 flat angles P-C4'-P energy: -53.472 tors. eta vs tors. theta energy: -125.637 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: 1 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -1193.219288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.219288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.219288 (E_RNA) where: Base-Base interactions energy: -768.371 where: short stacking energy: -342.951 Base-Backbone interact. energy: -0.727 local terms energy: -424.121509 where: bonds (distance) C4'-P energy: -79.774 bonds (distance) P-C4' energy: -79.948 flat angles C4'-P-C4' energy: -79.774 flat angles P-C4'-P energy: -64.763 tors. eta vs tors. theta energy: -119.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -1153.546225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.546225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.546225 (E_RNA) where: Base-Base interactions energy: -784.218 where: short stacking energy: -347.895 Base-Backbone interact. energy: -0.314 local terms energy: -369.014213 where: bonds (distance) C4'-P energy: -63.201 bonds (distance) P-C4' energy: -63.910 flat angles C4'-P-C4' energy: -79.921 flat angles P-C4'-P energy: -59.075 tors. eta vs tors. theta energy: -102.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -1088.186832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.186832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.186832 (E_RNA) where: Base-Base interactions energy: -710.440 where: short stacking energy: -307.303 Base-Backbone interact. energy: -1.604 local terms energy: -376.142690 where: bonds (distance) C4'-P energy: -82.808 bonds (distance) P-C4' energy: -79.052 flat angles C4'-P-C4' energy: -79.697 flat angles P-C4'-P energy: -49.760 tors. eta vs tors. theta energy: -84.826 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: 9 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -1113.757264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.757264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.757264 (E_RNA) where: Base-Base interactions energy: -754.111 where: short stacking energy: -319.383 Base-Backbone interact. energy: 0.169 local terms energy: -359.814577 where: bonds (distance) C4'-P energy: -75.442 bonds (distance) P-C4' energy: -71.065 flat angles C4'-P-C4' energy: -77.087 flat angles P-C4'-P energy: -59.536 tors. eta vs tors. theta energy: -76.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -808.604573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.604573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.604573 (E_RNA) where: Base-Base interactions energy: -498.639 where: short stacking energy: -227.901 Base-Backbone interact. energy: 1.328 local terms energy: -311.293669 where: bonds (distance) C4'-P energy: -64.374 bonds (distance) P-C4' energy: -69.589 flat angles C4'-P-C4' energy: -79.578 flat angles P-C4'-P energy: -43.130 tors. eta vs tors. theta energy: -54.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -619.194846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.194846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.194846 (E_RNA) where: Base-Base interactions energy: -360.267 where: short stacking energy: -183.481 Base-Backbone interact. energy: 0.326 local terms energy: -259.254677 where: bonds (distance) C4'-P energy: -61.339 bonds (distance) P-C4' energy: -77.434 flat angles C4'-P-C4' energy: -66.421 flat angles P-C4'-P energy: -21.255 tors. eta vs tors. theta energy: -32.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -479.950870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.950870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.950870 (E_RNA) where: Base-Base interactions energy: -255.774 where: short stacking energy: -142.841 Base-Backbone interact. energy: 0.971 local terms energy: -225.147810 where: bonds (distance) C4'-P energy: -67.421 bonds (distance) P-C4' energy: -66.113 flat angles C4'-P-C4' energy: -57.364 flat angles P-C4'-P energy: -28.273 tors. eta vs tors. theta energy: -5.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -331.423777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.423777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.423777 (E_RNA) where: Base-Base interactions energy: -112.673 where: short stacking energy: -104.679 Base-Backbone interact. energy: 3.992 local terms energy: -222.742062 where: bonds (distance) C4'-P energy: -58.323 bonds (distance) P-C4' energy: -71.321 flat angles C4'-P-C4' energy: -70.262 flat angles P-C4'-P energy: -42.682 tors. eta vs tors. theta energy: 19.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -1371.184112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.184112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.184112 (E_RNA) where: Base-Base interactions energy: -953.466 where: short stacking energy: -391.662 Base-Backbone interact. energy: -2.634 local terms energy: -415.083945 where: bonds (distance) C4'-P energy: -72.676 bonds (distance) P-C4' energy: -78.452 flat angles C4'-P-C4' energy: -94.459 flat angles P-C4'-P energy: -54.525 tors. eta vs tors. theta energy: -114.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -1315.494784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.494784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.494784 (E_RNA) where: Base-Base interactions energy: -873.915 where: short stacking energy: -392.108 Base-Backbone interact. energy: -1.122 local terms energy: -440.457319 where: bonds (distance) C4'-P energy: -64.488 bonds (distance) P-C4' energy: -78.565 flat angles C4'-P-C4' energy: -95.868 flat angles P-C4'-P energy: -72.418 tors. eta vs tors. theta energy: -129.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -1188.544188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.544188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.544188 (E_RNA) where: Base-Base interactions energy: -785.710 where: short stacking energy: -368.576 Base-Backbone interact. energy: -1.764 local terms energy: -401.069994 where: bonds (distance) C4'-P energy: -69.704 bonds (distance) P-C4' energy: -82.999 flat angles C4'-P-C4' energy: -86.932 flat angles P-C4'-P energy: -60.897 tors. eta vs tors. theta energy: -100.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -1176.694942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.694942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.694942 (E_RNA) where: Base-Base interactions energy: -782.511 where: short stacking energy: -330.292 Base-Backbone interact. energy: -1.780 local terms energy: -392.403601 where: bonds (distance) C4'-P energy: -69.076 bonds (distance) P-C4' energy: -74.988 flat angles C4'-P-C4' energy: -81.241 flat angles P-C4'-P energy: -64.222 tors. eta vs tors. theta energy: -102.877 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: 330 Temperature: 1.100000 Total energy: -1149.517372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.517372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.517372 (E_RNA) where: Base-Base interactions energy: -812.758 where: short stacking energy: -331.629 Base-Backbone interact. energy: 1.964 local terms energy: -338.723222 where: bonds (distance) C4'-P energy: -64.152 bonds (distance) P-C4' energy: -61.284 flat angles C4'-P-C4' energy: -84.329 flat angles P-C4'-P energy: -40.836 tors. eta vs tors. theta energy: -88.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -1057.493271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.493271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.493271 (E_RNA) where: Base-Base interactions energy: -692.346 where: short stacking energy: -305.671 Base-Backbone interact. energy: -0.897 local terms energy: -364.249725 where: bonds (distance) C4'-P energy: -73.254 bonds (distance) P-C4' energy: -76.437 flat angles C4'-P-C4' energy: -84.677 flat angles P-C4'-P energy: -45.439 tors. eta vs tors. theta energy: -84.443 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: 6 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -819.215911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.215911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.215911 (E_RNA) where: Base-Base interactions energy: -496.528 where: short stacking energy: -244.430 Base-Backbone interact. energy: -3.097 local terms energy: -319.590590 where: bonds (distance) C4'-P energy: -64.288 bonds (distance) P-C4' energy: -73.248 flat angles C4'-P-C4' energy: -67.930 flat angles P-C4'-P energy: -52.468 tors. eta vs tors. theta energy: -61.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -599.456549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.456549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.456549 (E_RNA) where: Base-Base interactions energy: -334.594 where: short stacking energy: -166.670 Base-Backbone interact. energy: 3.548 local terms energy: -268.411417 where: bonds (distance) C4'-P energy: -58.959 bonds (distance) P-C4' energy: -79.371 flat angles C4'-P-C4' energy: -61.306 flat angles P-C4'-P energy: -47.865 tors. eta vs tors. theta energy: -20.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -441.340011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.340011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.340011 (E_RNA) where: Base-Base interactions energy: -223.792 where: short stacking energy: -137.818 Base-Backbone interact. energy: -1.659 local terms energy: -215.888938 where: bonds (distance) C4'-P energy: -45.136 bonds (distance) P-C4' energy: -73.110 flat angles C4'-P-C4' energy: -59.875 flat angles P-C4'-P energy: -35.974 tors. eta vs tors. theta energy: -1.794 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: 10 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -312.056336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.056336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.056336 (E_RNA) where: Base-Base interactions energy: -106.322 where: short stacking energy: -80.230 Base-Backbone interact. energy: 0.920 local terms energy: -206.654622 where: bonds (distance) C4'-P energy: -63.988 bonds (distance) P-C4' energy: -72.881 flat angles C4'-P-C4' energy: -61.093 flat angles P-C4'-P energy: -34.032 tors. eta vs tors. theta energy: 25.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -1390.034911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.034911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.034911 (E_RNA) where: Base-Base interactions energy: -973.714 where: short stacking energy: -412.445 Base-Backbone interact. energy: -3.862 local terms energy: -412.459247 where: bonds (distance) C4'-P energy: -79.405 bonds (distance) P-C4' energy: -70.618 flat angles C4'-P-C4' energy: -84.642 flat angles P-C4'-P energy: -57.182 tors. eta vs tors. theta energy: -120.612 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: 331 Temperature: 0.950000 Total energy: -1341.683041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.683041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.683041 (E_RNA) where: Base-Base interactions energy: -898.615 where: short stacking energy: -402.947 Base-Backbone interact. energy: 0.055 local terms energy: -443.123133 where: bonds (distance) C4'-P energy: -77.421 bonds (distance) P-C4' energy: -81.471 flat angles C4'-P-C4' energy: -95.259 flat angles P-C4'-P energy: -54.585 tors. eta vs tors. theta energy: -134.387 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: 1 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -1168.827166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.827166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.827166 (E_RNA) where: Base-Base interactions energy: -781.987 where: short stacking energy: -347.292 Base-Backbone interact. energy: -0.631 local terms energy: -386.208868 where: bonds (distance) C4'-P energy: -71.173 bonds (distance) P-C4' energy: -79.023 flat angles C4'-P-C4' energy: -88.811 flat angles P-C4'-P energy: -54.483 tors. eta vs tors. theta energy: -92.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -1178.587277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.587277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.587277 (E_RNA) where: Base-Base interactions energy: -811.582 where: short stacking energy: -335.087 Base-Backbone interact. energy: -0.557 local terms energy: -366.447965 where: bonds (distance) C4'-P energy: -74.384 bonds (distance) P-C4' energy: -76.383 flat angles C4'-P-C4' energy: -76.782 flat angles P-C4'-P energy: -49.197 tors. eta vs tors. theta energy: -89.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -1164.411903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.411903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.411903 (E_RNA) where: Base-Base interactions energy: -809.704 where: short stacking energy: -340.050 Base-Backbone interact. energy: 1.729 local terms energy: -356.436756 where: bonds (distance) C4'-P energy: -72.528 bonds (distance) P-C4' energy: -58.979 flat angles C4'-P-C4' energy: -81.746 flat angles P-C4'-P energy: -51.134 tors. eta vs tors. theta energy: -92.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -1074.456800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.456800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.456800 (E_RNA) where: Base-Base interactions energy: -728.762 where: short stacking energy: -325.649 Base-Backbone interact. energy: 1.383 local terms energy: -347.078556 where: bonds (distance) C4'-P energy: -61.321 bonds (distance) P-C4' energy: -79.522 flat angles C4'-P-C4' energy: -77.996 flat angles P-C4'-P energy: -43.207 tors. eta vs tors. theta energy: -85.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -747.021657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.021657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.021657 (E_RNA) where: Base-Base interactions energy: -448.666 where: short stacking energy: -215.488 Base-Backbone interact. energy: -0.764 local terms energy: -297.591972 where: bonds (distance) C4'-P energy: -70.811 bonds (distance) P-C4' energy: -66.292 flat angles C4'-P-C4' energy: -71.026 flat angles P-C4'-P energy: -44.740 tors. eta vs tors. theta energy: -44.723 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: 2 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -593.640627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.640627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.640627 (E_RNA) where: Base-Base interactions energy: -331.787 where: short stacking energy: -165.708 Base-Backbone interact. energy: -2.381 local terms energy: -259.472597 where: bonds (distance) C4'-P energy: -67.656 bonds (distance) P-C4' energy: -63.760 flat angles C4'-P-C4' energy: -65.570 flat angles P-C4'-P energy: -42.926 tors. eta vs tors. theta energy: -19.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -409.910925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.910925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.910925 (E_RNA) where: Base-Base interactions energy: -183.076 where: short stacking energy: -119.025 Base-Backbone interact. energy: 0.790 local terms energy: -227.624878 where: bonds (distance) C4'-P energy: -67.716 bonds (distance) P-C4' energy: -61.515 flat angles C4'-P-C4' energy: -60.911 flat angles P-C4'-P energy: -31.892 tors. eta vs tors. theta energy: -5.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -333.063310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.063310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.063310 (E_RNA) where: Base-Base interactions energy: -130.076 where: short stacking energy: -125.878 Base-Backbone interact. energy: -0.953 local terms energy: -202.033976 where: bonds (distance) C4'-P energy: -44.371 bonds (distance) P-C4' energy: -76.382 flat angles C4'-P-C4' energy: -54.344 flat angles P-C4'-P energy: -30.304 tors. eta vs tors. theta energy: 3.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -1384.521136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.521136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.521136 (E_RNA) where: Base-Base interactions energy: -965.321 where: short stacking energy: -396.659 Base-Backbone interact. energy: -3.919 local terms energy: -415.281596 where: bonds (distance) C4'-P energy: -76.015 bonds (distance) P-C4' energy: -73.493 flat angles C4'-P-C4' energy: -92.129 flat angles P-C4'-P energy: -61.413 tors. eta vs tors. theta energy: -112.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -1328.006308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.006308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.006308 (E_RNA) where: Base-Base interactions energy: -880.950 where: short stacking energy: -403.232 Base-Backbone interact. energy: -0.548 local terms energy: -446.508397 where: bonds (distance) C4'-P energy: -90.571 bonds (distance) P-C4' energy: -75.625 flat angles C4'-P-C4' energy: -91.930 flat angles P-C4'-P energy: -59.062 tors. eta vs tors. theta energy: -129.320 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: 1 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -1196.123083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.123083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.123083 (E_RNA) where: Base-Base interactions energy: -792.533 where: short stacking energy: -353.907 Base-Backbone interact. energy: -1.398 local terms energy: -402.192022 where: bonds (distance) C4'-P energy: -85.991 bonds (distance) P-C4' energy: -78.659 flat angles C4'-P-C4' energy: -87.211 flat angles P-C4'-P energy: -48.656 tors. eta vs tors. theta energy: -101.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -1158.020381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.020381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.020381 (E_RNA) where: Base-Base interactions energy: -781.159 where: short stacking energy: -335.309 Base-Backbone interact. energy: 2.587 local terms energy: -379.448402 where: bonds (distance) C4'-P energy: -67.392 bonds (distance) P-C4' energy: -76.033 flat angles C4'-P-C4' energy: -85.429 flat angles P-C4'-P energy: -55.489 tors. eta vs tors. theta energy: -95.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -1184.152018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.152018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.152018 (E_RNA) where: Base-Base interactions energy: -798.707 where: short stacking energy: -318.237 Base-Backbone interact. energy: -2.726 local terms energy: -382.719224 where: bonds (distance) C4'-P energy: -79.049 bonds (distance) P-C4' energy: -80.342 flat angles C4'-P-C4' energy: -84.708 flat angles P-C4'-P energy: -52.305 tors. eta vs tors. theta energy: -86.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -1039.589833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.589833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.589833 (E_RNA) where: Base-Base interactions energy: -673.805 where: short stacking energy: -290.795 Base-Backbone interact. energy: -1.265 local terms energy: -364.519707 where: bonds (distance) C4'-P energy: -54.554 bonds (distance) P-C4' energy: -70.449 flat angles C4'-P-C4' energy: -91.260 flat angles P-C4'-P energy: -54.735 tors. eta vs tors. theta energy: -93.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -793.709033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.709033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.709033 (E_RNA) where: Base-Base interactions energy: -482.127 where: short stacking energy: -214.036 Base-Backbone interact. energy: -3.188 local terms energy: -308.394149 where: bonds (distance) C4'-P energy: -70.271 bonds (distance) P-C4' energy: -76.839 flat angles C4'-P-C4' energy: -60.163 flat angles P-C4'-P energy: -55.117 tors. eta vs tors. theta energy: -46.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -679.047005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.047005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.047005 (E_RNA) where: Base-Base interactions energy: -393.366 where: short stacking energy: -178.901 Base-Backbone interact. energy: 0.891 local terms energy: -286.571524 where: bonds (distance) C4'-P energy: -71.463 bonds (distance) P-C4' energy: -76.098 flat angles C4'-P-C4' energy: -61.505 flat angles P-C4'-P energy: -55.216 tors. eta vs tors. theta energy: -22.290 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: 4 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -389.539202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.539202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.539202 (E_RNA) where: Base-Base interactions energy: -137.384 where: short stacking energy: -94.140 Base-Backbone interact. energy: -0.295 local terms energy: -251.861084 where: bonds (distance) C4'-P energy: -79.369 bonds (distance) P-C4' energy: -78.749 flat angles C4'-P-C4' energy: -69.670 flat angles P-C4'-P energy: -32.936 tors. eta vs tors. theta energy: 8.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -323.300377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.300377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.300377 (E_RNA) where: Base-Base interactions energy: -124.801 where: short stacking energy: -100.617 Base-Backbone interact. energy: -0.335 local terms energy: -198.164594 where: bonds (distance) C4'-P energy: -55.470 bonds (distance) P-C4' energy: -58.791 flat angles C4'-P-C4' energy: -66.028 flat angles P-C4'-P energy: -22.266 tors. eta vs tors. theta energy: 4.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -1355.848704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.848704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.848704 (E_RNA) where: Base-Base interactions energy: -921.767 where: short stacking energy: -372.426 Base-Backbone interact. energy: -2.650 local terms energy: -431.431350 where: bonds (distance) C4'-P energy: -79.233 bonds (distance) P-C4' energy: -81.885 flat angles C4'-P-C4' energy: -96.066 flat angles P-C4'-P energy: -63.042 tors. eta vs tors. theta energy: -111.206 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: 8 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -1339.373837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.373837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.373837 (E_RNA) where: Base-Base interactions energy: -891.838 where: short stacking energy: -427.009 Base-Backbone interact. energy: -0.139 local terms energy: -447.396348 where: bonds (distance) C4'-P energy: -74.286 bonds (distance) P-C4' energy: -87.176 flat angles C4'-P-C4' energy: -87.728 flat angles P-C4'-P energy: -58.295 tors. eta vs tors. theta energy: -139.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -1189.611739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.611739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.611739 (E_RNA) where: Base-Base interactions energy: -789.870 where: short stacking energy: -351.416 Base-Backbone interact. energy: -2.628 local terms energy: -397.114310 where: bonds (distance) C4'-P energy: -75.949 bonds (distance) P-C4' energy: -78.957 flat angles C4'-P-C4' energy: -85.150 flat angles P-C4'-P energy: -59.439 tors. eta vs tors. theta energy: -97.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -1208.037819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.037819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.037819 (E_RNA) where: Base-Base interactions energy: -806.570 where: short stacking energy: -322.002 Base-Backbone interact. energy: -0.096 local terms energy: -401.372539 where: bonds (distance) C4'-P energy: -75.391 bonds (distance) P-C4' energy: -78.636 flat angles C4'-P-C4' energy: -92.711 flat angles P-C4'-P energy: -55.572 tors. eta vs tors. theta energy: -99.063 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: 7 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -1140.678167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.678167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.678167 (E_RNA) where: Base-Base interactions energy: -777.096 where: short stacking energy: -336.368 Base-Backbone interact. energy: 4.921 local terms energy: -368.503150 where: bonds (distance) C4'-P energy: -74.680 bonds (distance) P-C4' energy: -71.405 flat angles C4'-P-C4' energy: -80.869 flat angles P-C4'-P energy: -47.418 tors. eta vs tors. theta energy: -94.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -1061.361530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.361530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.361530 (E_RNA) where: Base-Base interactions energy: -692.723 where: short stacking energy: -311.696 Base-Backbone interact. energy: -2.473 local terms energy: -366.166119 where: bonds (distance) C4'-P energy: -82.498 bonds (distance) P-C4' energy: -81.811 flat angles C4'-P-C4' energy: -70.455 flat angles P-C4'-P energy: -45.523 tors. eta vs tors. theta energy: -85.880 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: 333 Temperature: 1.200000 Total energy: -822.650032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.650032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.650032 (E_RNA) where: Base-Base interactions energy: -522.431 where: short stacking energy: -240.722 Base-Backbone interact. energy: 4.018 local terms energy: -304.236366 where: bonds (distance) C4'-P energy: -63.099 bonds (distance) P-C4' energy: -55.766 flat angles C4'-P-C4' energy: -69.814 flat angles P-C4'-P energy: -54.812 tors. eta vs tors. theta energy: -60.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -654.990115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.990115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.990115 (E_RNA) where: Base-Base interactions energy: -390.629 where: short stacking energy: -167.643 Base-Backbone interact. energy: -0.868 local terms energy: -263.493081 where: bonds (distance) C4'-P energy: -75.533 bonds (distance) P-C4' energy: -65.995 flat angles C4'-P-C4' energy: -61.620 flat angles P-C4'-P energy: -43.719 tors. eta vs tors. theta energy: -16.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -427.068414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.068414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.068414 (E_RNA) where: Base-Base interactions energy: -198.198 where: short stacking energy: -133.662 Base-Backbone interact. energy: 0.876 local terms energy: -229.746368 where: bonds (distance) C4'-P energy: -69.007 bonds (distance) P-C4' energy: -74.711 flat angles C4'-P-C4' energy: -59.176 flat angles P-C4'-P energy: -19.679 tors. eta vs tors. theta energy: -7.174 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: 10, replica: 10 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -326.757667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.757667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.757667 (E_RNA) where: Base-Base interactions energy: -124.466 where: short stacking energy: -102.799 Base-Backbone interact. energy: -1.451 local terms energy: -200.841284 where: bonds (distance) C4'-P energy: -57.337 bonds (distance) P-C4' energy: -59.088 flat angles C4'-P-C4' energy: -59.247 flat angles P-C4'-P energy: -35.072 tors. eta vs tors. theta energy: 9.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -1354.736120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.736120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.736120 (E_RNA) where: Base-Base interactions energy: -939.056 where: short stacking energy: -385.941 Base-Backbone interact. energy: -0.768 local terms energy: -414.912197 where: bonds (distance) C4'-P energy: -84.790 bonds (distance) P-C4' energy: -75.951 flat angles C4'-P-C4' energy: -100.065 flat angles P-C4'-P energy: -47.591 tors. eta vs tors. theta energy: -106.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -1316.681213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.681213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.681213 (E_RNA) where: Base-Base interactions energy: -893.148 where: short stacking energy: -390.674 Base-Backbone interact. energy: -0.457 local terms energy: -423.075370 where: bonds (distance) C4'-P energy: -80.458 bonds (distance) P-C4' energy: -77.568 flat angles C4'-P-C4' energy: -88.375 flat angles P-C4'-P energy: -62.951 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: 3, replica: 1 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -1225.863126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.863126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.863126 (E_RNA) where: Base-Base interactions energy: -831.415 where: short stacking energy: -374.392 Base-Backbone interact. energy: -0.537 local terms energy: -393.911505 where: bonds (distance) C4'-P energy: -78.892 bonds (distance) P-C4' energy: -73.144 flat angles C4'-P-C4' energy: -88.269 flat angles P-C4'-P energy: -59.416 tors. eta vs tors. theta energy: -94.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -1188.606459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.606459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.606459 (E_RNA) where: Base-Base interactions energy: -826.239 where: short stacking energy: -354.507 Base-Backbone interact. energy: -0.798 local terms energy: -361.569583 where: bonds (distance) C4'-P energy: -66.342 bonds (distance) P-C4' energy: -71.255 flat angles C4'-P-C4' energy: -70.137 flat angles P-C4'-P energy: -49.905 tors. eta vs tors. theta energy: -103.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -1118.096592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.096592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.096592 (E_RNA) where: Base-Base interactions energy: -731.255 where: short stacking energy: -310.072 Base-Backbone interact. energy: -1.185 local terms energy: -385.656577 where: bonds (distance) C4'-P energy: -82.636 bonds (distance) P-C4' energy: -81.853 flat angles C4'-P-C4' energy: -83.708 flat angles P-C4'-P energy: -51.994 tors. eta vs tors. theta energy: -85.466 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: 5 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -1081.191026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.191026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.191026 (E_RNA) where: Base-Base interactions energy: -711.620 where: short stacking energy: -306.519 Base-Backbone interact. energy: 0.554 local terms energy: -370.124716 where: bonds (distance) C4'-P energy: -63.199 bonds (distance) P-C4' energy: -74.523 flat angles C4'-P-C4' energy: -87.240 flat angles P-C4'-P energy: -56.594 tors. eta vs tors. theta energy: -88.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -834.510219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.510219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.510219 (E_RNA) where: Base-Base interactions energy: -547.198 where: short stacking energy: -238.948 Base-Backbone interact. energy: 3.733 local terms energy: -291.045342 where: bonds (distance) C4'-P energy: -57.269 bonds (distance) P-C4' energy: -53.360 flat angles C4'-P-C4' energy: -84.642 flat angles P-C4'-P energy: -36.962 tors. eta vs tors. theta energy: -58.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -739.512450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.512450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.512450 (E_RNA) where: Base-Base interactions energy: -416.034 where: short stacking energy: -207.430 Base-Backbone interact. energy: -1.711 local terms energy: -321.767471 where: bonds (distance) C4'-P energy: -82.005 bonds (distance) P-C4' energy: -73.934 flat angles C4'-P-C4' energy: -67.634 flat angles P-C4'-P energy: -45.182 tors. eta vs tors. theta energy: -53.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -411.996486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.996486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.996486 (E_RNA) where: Base-Base interactions energy: -174.147 where: short stacking energy: -119.125 Base-Backbone interact. energy: -0.416 local terms energy: -237.433730 where: bonds (distance) C4'-P energy: -79.083 bonds (distance) P-C4' energy: -64.694 flat angles C4'-P-C4' energy: -61.891 flat angles P-C4'-P energy: -44.793 tors. eta vs tors. theta energy: 13.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -339.375183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.375183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.375183 (E_RNA) where: Base-Base interactions energy: -105.416 where: short stacking energy: -101.987 Base-Backbone interact. energy: 1.700 local terms energy: -235.658647 where: bonds (distance) C4'-P energy: -64.445 bonds (distance) P-C4' energy: -72.448 flat angles C4'-P-C4' energy: -58.534 flat angles P-C4'-P energy: -35.260 tors. eta vs tors. theta energy: -4.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -1380.114402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.114402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.114402 (E_RNA) where: Base-Base interactions energy: -942.410 where: short stacking energy: -405.529 Base-Backbone interact. energy: -2.652 local terms energy: -435.051498 where: bonds (distance) C4'-P energy: -87.645 bonds (distance) P-C4' energy: -76.362 flat angles C4'-P-C4' energy: -92.478 flat angles P-C4'-P energy: -58.474 tors. eta vs tors. theta energy: -120.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -1325.636345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.636345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.636345 (E_RNA) where: Base-Base interactions energy: -900.548 where: short stacking energy: -402.816 Base-Backbone interact. energy: 0.722 local terms energy: -425.810185 where: bonds (distance) C4'-P energy: -70.645 bonds (distance) P-C4' energy: -82.163 flat angles C4'-P-C4' energy: -92.738 flat angles P-C4'-P energy: -55.813 tors. eta vs tors. theta energy: -124.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -1154.174419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.174419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.174419 (E_RNA) where: Base-Base interactions energy: -763.855 where: short stacking energy: -331.140 Base-Backbone interact. energy: -1.978 local terms energy: -388.341139 where: bonds (distance) C4'-P energy: -80.175 bonds (distance) P-C4' energy: -80.516 flat angles C4'-P-C4' energy: -80.601 flat angles P-C4'-P energy: -53.535 tors. eta vs tors. theta energy: -93.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -1144.645201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.645201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.645201 (E_RNA) where: Base-Base interactions energy: -760.191 where: short stacking energy: -342.501 Base-Backbone interact. energy: -0.870 local terms energy: -383.584264 where: bonds (distance) C4'-P energy: -72.621 bonds (distance) P-C4' energy: -71.547 flat angles C4'-P-C4' energy: -86.080 flat angles P-C4'-P energy: -54.713 tors. eta vs tors. theta energy: -98.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -1148.449836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.449836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.449836 (E_RNA) where: Base-Base interactions energy: -784.007 where: short stacking energy: -314.221 Base-Backbone interact. energy: -0.505 local terms energy: -363.938280 where: bonds (distance) C4'-P energy: -79.873 bonds (distance) P-C4' energy: -64.979 flat angles C4'-P-C4' energy: -76.545 flat angles P-C4'-P energy: -51.555 tors. eta vs tors. theta energy: -90.987 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: 5 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -1077.494919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.494919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.494919 (E_RNA) where: Base-Base interactions energy: -718.940 where: short stacking energy: -324.091 Base-Backbone interact. energy: -0.944 local terms energy: -357.611188 where: bonds (distance) C4'-P energy: -64.981 bonds (distance) P-C4' energy: -77.125 flat angles C4'-P-C4' energy: -84.915 flat angles P-C4'-P energy: -41.704 tors. eta vs tors. theta energy: -88.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -848.125660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.125660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.125660 (E_RNA) where: Base-Base interactions energy: -554.374 where: short stacking energy: -236.241 Base-Backbone interact. energy: -0.380 local terms energy: -293.371779 where: bonds (distance) C4'-P energy: -73.687 bonds (distance) P-C4' energy: -58.465 flat angles C4'-P-C4' energy: -56.991 flat angles P-C4'-P energy: -48.340 tors. eta vs tors. theta energy: -55.888 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: 2 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -717.707561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.707561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.707561 (E_RNA) where: Base-Base interactions energy: -419.712 where: short stacking energy: -208.020 Base-Backbone interact. energy: 3.256 local terms energy: -301.250711 where: bonds (distance) C4'-P energy: -73.985 bonds (distance) P-C4' energy: -68.335 flat angles C4'-P-C4' energy: -70.966 flat angles P-C4'-P energy: -45.601 tors. eta vs tors. theta energy: -42.363 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: 4 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -387.155023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.155023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.155023 (E_RNA) where: Base-Base interactions energy: -154.432 where: short stacking energy: -126.712 Base-Backbone interact. energy: 0.246 local terms energy: -232.969740 where: bonds (distance) C4'-P energy: -52.946 bonds (distance) P-C4' energy: -75.602 flat angles C4'-P-C4' energy: -66.361 flat angles P-C4'-P energy: -35.434 tors. eta vs tors. theta energy: -2.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -324.825661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.825661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.825661 (E_RNA) where: Base-Base interactions energy: -98.935 where: short stacking energy: -97.769 Base-Backbone interact. energy: 0.496 local terms energy: -226.387032 where: bonds (distance) C4'-P energy: -65.011 bonds (distance) P-C4' energy: -75.364 flat angles C4'-P-C4' energy: -54.400 flat angles P-C4'-P energy: -38.494 tors. eta vs tors. theta energy: 6.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -1376.162772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.162772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.162772 (E_RNA) where: Base-Base interactions energy: -983.503 where: short stacking energy: -410.706 Base-Backbone interact. energy: 1.502 local terms energy: -394.161183 where: bonds (distance) C4'-P energy: -80.469 bonds (distance) P-C4' energy: -67.994 flat angles C4'-P-C4' energy: -83.405 flat angles P-C4'-P energy: -57.335 tors. eta vs tors. theta energy: -104.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -1303.962494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.962494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.962494 (E_RNA) where: Base-Base interactions energy: -881.335 where: short stacking energy: -388.688 Base-Backbone interact. energy: 1.008 local terms energy: -423.635039 where: bonds (distance) C4'-P energy: -86.128 bonds (distance) P-C4' energy: -76.169 flat angles C4'-P-C4' energy: -87.422 flat angles P-C4'-P energy: -58.998 tors. eta vs tors. theta energy: -114.918 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: 1 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -1180.687659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.687659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.687659 (E_RNA) where: Base-Base interactions energy: -778.642 where: short stacking energy: -345.127 Base-Backbone interact. energy: -0.681 local terms energy: -401.364678 where: bonds (distance) C4'-P energy: -75.383 bonds (distance) P-C4' energy: -74.135 flat angles C4'-P-C4' energy: -90.616 flat angles P-C4'-P energy: -51.832 tors. eta vs tors. theta energy: -109.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -1209.317521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.317521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.317521 (E_RNA) where: Base-Base interactions energy: -813.785 where: short stacking energy: -349.683 Base-Backbone interact. energy: 0.270 local terms energy: -395.802167 where: bonds (distance) C4'-P energy: -72.901 bonds (distance) P-C4' energy: -74.715 flat angles C4'-P-C4' energy: -79.853 flat angles P-C4'-P energy: -65.460 tors. eta vs tors. theta energy: -102.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -1130.025561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.025561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.025561 (E_RNA) where: Base-Base interactions energy: -763.911 where: short stacking energy: -309.726 Base-Backbone interact. energy: -1.109 local terms energy: -365.004874 where: bonds (distance) C4'-P energy: -74.286 bonds (distance) P-C4' energy: -72.482 flat angles C4'-P-C4' energy: -86.088 flat angles P-C4'-P energy: -46.806 tors. eta vs tors. theta energy: -85.343 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: 5 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -1014.898370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.898370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.898370 (E_RNA) where: Base-Base interactions energy: -668.638 where: short stacking energy: -306.457 Base-Backbone interact. energy: -0.851 local terms energy: -345.408832 where: bonds (distance) C4'-P energy: -63.003 bonds (distance) P-C4' energy: -73.101 flat angles C4'-P-C4' energy: -89.273 flat angles P-C4'-P energy: -50.723 tors. eta vs tors. theta energy: -69.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -856.217084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.217084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.217084 (E_RNA) where: Base-Base interactions energy: -542.749 where: short stacking energy: -221.386 Base-Backbone interact. energy: -3.987 local terms energy: -309.481269 where: bonds (distance) C4'-P energy: -65.547 bonds (distance) P-C4' energy: -66.613 flat angles C4'-P-C4' energy: -75.811 flat angles P-C4'-P energy: -41.446 tors. eta vs tors. theta energy: -60.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -683.198272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.198272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.198272 (E_RNA) where: Base-Base interactions energy: -415.469 where: short stacking energy: -202.465 Base-Backbone interact. energy: 0.244 local terms energy: -267.973160 where: bonds (distance) C4'-P energy: -74.982 bonds (distance) P-C4' energy: -68.107 flat angles C4'-P-C4' energy: -43.808 flat angles P-C4'-P energy: -46.611 tors. eta vs tors. theta energy: -34.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -377.281422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.281422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.281422 (E_RNA) where: Base-Base interactions energy: -128.233 where: short stacking energy: -113.977 Base-Backbone interact. energy: -1.311 local terms energy: -247.737310 where: bonds (distance) C4'-P energy: -67.182 bonds (distance) P-C4' energy: -77.960 flat angles C4'-P-C4' energy: -58.749 flat angles P-C4'-P energy: -49.075 tors. eta vs tors. theta energy: 5.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -321.170772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -321.170772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -321.170772 (E_RNA) where: Base-Base interactions energy: -120.101 where: short stacking energy: -79.781 Base-Backbone interact. energy: -1.269 local terms energy: -199.800681 where: bonds (distance) C4'-P energy: -78.583 bonds (distance) P-C4' energy: -78.981 flat angles C4'-P-C4' energy: -43.447 flat angles P-C4'-P energy: -26.569 tors. eta vs tors. theta energy: 27.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -1362.047181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.047181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.047181 (E_RNA) where: Base-Base interactions energy: -950.924 where: short stacking energy: -368.575 Base-Backbone interact. energy: -2.473 local terms energy: -408.649806 where: bonds (distance) C4'-P energy: -85.983 bonds (distance) P-C4' energy: -67.179 flat angles C4'-P-C4' energy: -85.021 flat angles P-C4'-P energy: -63.215 tors. eta vs tors. theta energy: -107.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -1310.245877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.245877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.245877 (E_RNA) where: Base-Base interactions energy: -869.037 where: short stacking energy: -392.202 Base-Backbone interact. energy: -1.104 local terms energy: -440.104789 where: bonds (distance) C4'-P energy: -87.036 bonds (distance) P-C4' energy: -92.987 flat angles C4'-P-C4' energy: -80.809 flat angles P-C4'-P energy: -54.637 tors. eta vs tors. theta energy: -124.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -1193.344183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.344183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.344183 (E_RNA) where: Base-Base interactions energy: -777.609 where: short stacking energy: -340.930 Base-Backbone interact. energy: -0.974 local terms energy: -414.761314 where: bonds (distance) C4'-P energy: -84.200 bonds (distance) P-C4' energy: -87.453 flat angles C4'-P-C4' energy: -81.946 flat angles P-C4'-P energy: -61.620 tors. eta vs tors. theta energy: -99.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -1164.403989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.403989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.403989 (E_RNA) where: Base-Base interactions energy: -802.158 where: short stacking energy: -334.761 Base-Backbone interact. energy: -0.668 local terms energy: -361.577071 where: bonds (distance) C4'-P energy: -68.622 bonds (distance) P-C4' energy: -88.086 flat angles C4'-P-C4' energy: -76.687 flat angles P-C4'-P energy: -46.918 tors. eta vs tors. theta energy: -81.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -1138.570571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.570571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.570571 (E_RNA) where: Base-Base interactions energy: -796.451 where: short stacking energy: -324.918 Base-Backbone interact. energy: 1.458 local terms energy: -343.578141 where: bonds (distance) C4'-P energy: -68.975 bonds (distance) P-C4' energy: -73.819 flat angles C4'-P-C4' energy: -78.101 flat angles P-C4'-P energy: -35.273 tors. eta vs tors. theta energy: -87.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -983.349730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.349730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.349730 (E_RNA) where: Base-Base interactions energy: -635.663 where: short stacking energy: -279.748 Base-Backbone interact. energy: -1.360 local terms energy: -346.326727 where: bonds (distance) C4'-P energy: -70.262 bonds (distance) P-C4' energy: -76.079 flat angles C4'-P-C4' energy: -76.345 flat angles P-C4'-P energy: -51.222 tors. eta vs tors. theta energy: -72.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -826.545374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.545374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.545374 (E_RNA) where: Base-Base interactions energy: -529.711 where: short stacking energy: -231.734 Base-Backbone interact. energy: 3.023 local terms energy: -299.856613 where: bonds (distance) C4'-P energy: -74.596 bonds (distance) P-C4' energy: -75.376 flat angles C4'-P-C4' energy: -52.816 flat angles P-C4'-P energy: -52.160 tors. eta vs tors. theta energy: -44.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -714.259900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.259900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.259900 (E_RNA) where: Base-Base interactions energy: -414.401 where: short stacking energy: -203.058 Base-Backbone interact. energy: -1.329 local terms energy: -298.529908 where: bonds (distance) C4'-P energy: -79.613 bonds (distance) P-C4' energy: -77.724 flat angles C4'-P-C4' energy: -71.760 flat angles P-C4'-P energy: -36.912 tors. eta vs tors. theta energy: -32.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -359.956772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.956772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.956772 (E_RNA) where: Base-Base interactions energy: -132.435 where: short stacking energy: -113.306 Base-Backbone interact. energy: 1.413 local terms energy: -228.934028 where: bonds (distance) C4'-P energy: -65.298 bonds (distance) P-C4' energy: -65.238 flat angles C4'-P-C4' energy: -59.105 flat angles P-C4'-P energy: -41.576 tors. eta vs tors. theta energy: 2.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -349.055951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.055951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.055951 (E_RNA) where: Base-Base interactions energy: -147.842 where: short stacking energy: -99.554 Base-Backbone interact. energy: -1.143 local terms energy: -200.070875 where: bonds (distance) C4'-P energy: -63.092 bonds (distance) P-C4' energy: -64.661 flat angles C4'-P-C4' energy: -58.865 flat angles P-C4'-P energy: -22.433 tors. eta vs tors. theta energy: 8.979 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: 3 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -1379.993306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.993306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.993306 (E_RNA) where: Base-Base interactions energy: -959.964 where: short stacking energy: -405.991 Base-Backbone interact. energy: -1.836 local terms energy: -418.193838 where: bonds (distance) C4'-P energy: -66.281 bonds (distance) P-C4' energy: -78.760 flat angles C4'-P-C4' energy: -93.192 flat angles P-C4'-P energy: -63.074 tors. eta vs tors. theta energy: -116.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -1316.041851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.041851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.041851 (E_RNA) where: Base-Base interactions energy: -892.101 where: short stacking energy: -392.866 Base-Backbone interact. energy: -1.100 local terms energy: -422.841501 where: bonds (distance) C4'-P energy: -70.231 bonds (distance) P-C4' energy: -77.630 flat angles C4'-P-C4' energy: -82.524 flat angles P-C4'-P energy: -70.908 tors. eta vs tors. theta energy: -121.548 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: 3, replica: 1 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -1199.045420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.045420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.045420 (E_RNA) where: Base-Base interactions energy: -797.642 where: short stacking energy: -352.808 Base-Backbone interact. energy: -2.759 local terms energy: -398.644023 where: bonds (distance) C4'-P energy: -68.874 bonds (distance) P-C4' energy: -82.379 flat angles C4'-P-C4' energy: -90.766 flat angles P-C4'-P energy: -51.474 tors. eta vs tors. theta energy: -105.151 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: 9 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -1216.335456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.335456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.335456 (E_RNA) where: Base-Base interactions energy: -827.391 where: short stacking energy: -358.249 Base-Backbone interact. energy: -0.491 local terms energy: -388.453784 where: bonds (distance) C4'-P energy: -74.210 bonds (distance) P-C4' energy: -62.013 flat angles C4'-P-C4' energy: -87.509 flat angles P-C4'-P energy: -67.694 tors. eta vs tors. theta energy: -97.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -1149.094788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.094788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.094788 (E_RNA) where: Base-Base interactions energy: -781.165 where: short stacking energy: -300.351 Base-Backbone interact. energy: -2.635 local terms energy: -365.294602 where: bonds (distance) C4'-P energy: -69.542 bonds (distance) P-C4' energy: -81.262 flat angles C4'-P-C4' energy: -83.347 flat angles P-C4'-P energy: -46.111 tors. eta vs tors. theta energy: -85.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -993.649825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.649825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.649825 (E_RNA) where: Base-Base interactions energy: -626.649 where: short stacking energy: -305.890 Base-Backbone interact. energy: 0.740 local terms energy: -367.740842 where: bonds (distance) C4'-P energy: -63.757 bonds (distance) P-C4' energy: -76.638 flat angles C4'-P-C4' energy: -80.230 flat angles P-C4'-P energy: -51.968 tors. eta vs tors. theta energy: -95.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -853.228342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.228342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.228342 (E_RNA) where: Base-Base interactions energy: -530.032 where: short stacking energy: -247.676 Base-Backbone interact. energy: -2.009 local terms energy: -321.186789 where: bonds (distance) C4'-P energy: -63.201 bonds (distance) P-C4' energy: -78.207 flat angles C4'-P-C4' energy: -77.419 flat angles P-C4'-P energy: -43.599 tors. eta vs tors. theta energy: -58.761 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: 8, replica: 2 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -739.067720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.067720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.067720 (E_RNA) where: Base-Base interactions energy: -455.715 where: short stacking energy: -223.317 Base-Backbone interact. energy: -1.146 local terms energy: -282.206472 where: bonds (distance) C4'-P energy: -71.645 bonds (distance) P-C4' energy: -66.246 flat angles C4'-P-C4' energy: -61.587 flat angles P-C4'-P energy: -47.574 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: 10 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -354.871158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.871158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.871158 (E_RNA) where: Base-Base interactions energy: -133.673 where: short stacking energy: -115.567 Base-Backbone interact. energy: -0.215 local terms energy: -220.983838 where: bonds (distance) C4'-P energy: -75.894 bonds (distance) P-C4' energy: -60.477 flat angles C4'-P-C4' energy: -61.861 flat angles P-C4'-P energy: -17.091 tors. eta vs tors. theta energy: -5.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -331.004123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.004123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.004123 (E_RNA) where: Base-Base interactions energy: -115.732 where: short stacking energy: -75.868 Base-Backbone interact. energy: -2.093 local terms energy: -213.179763 where: bonds (distance) C4'-P energy: -69.338 bonds (distance) P-C4' energy: -60.774 flat angles C4'-P-C4' energy: -72.759 flat angles P-C4'-P energy: -23.691 tors. eta vs tors. theta energy: 13.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -1387.056306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.056306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.056306 (E_RNA) where: Base-Base interactions energy: -958.445 where: short stacking energy: -394.679 Base-Backbone interact. energy: -3.218 local terms energy: -425.393740 where: bonds (distance) C4'-P energy: -84.860 bonds (distance) P-C4' energy: -75.894 flat angles C4'-P-C4' energy: -94.539 flat angles P-C4'-P energy: -56.083 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: 2, replica: 8 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -1306.813634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.813634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.813634 (E_RNA) where: Base-Base interactions energy: -894.152 where: short stacking energy: -394.225 Base-Backbone interact. energy: 1.392 local terms energy: -414.052888 where: bonds (distance) C4'-P energy: -72.138 bonds (distance) P-C4' energy: -79.220 flat angles C4'-P-C4' energy: -86.102 flat angles P-C4'-P energy: -52.797 tors. eta vs tors. theta energy: -123.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -1209.024535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.024535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.024535 (E_RNA) where: Base-Base interactions energy: -803.247 where: short stacking energy: -348.843 Base-Backbone interact. energy: -0.768 local terms energy: -405.009168 where: bonds (distance) C4'-P energy: -75.544 bonds (distance) P-C4' energy: -80.586 flat angles C4'-P-C4' energy: -79.044 flat angles P-C4'-P energy: -60.821 tors. eta vs tors. theta energy: -109.014 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: 9 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -1216.661540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.661540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.661540 (E_RNA) where: Base-Base interactions energy: -803.127 where: short stacking energy: -354.534 Base-Backbone interact. energy: -1.509 local terms energy: -412.026195 where: bonds (distance) C4'-P energy: -84.000 bonds (distance) P-C4' energy: -90.129 flat angles C4'-P-C4' energy: -82.535 flat angles P-C4'-P energy: -53.195 tors. eta vs tors. theta energy: -102.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -1140.075494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.075494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.075494 (E_RNA) where: Base-Base interactions energy: -751.700 where: short stacking energy: -317.372 Base-Backbone interact. energy: -0.507 local terms energy: -387.868291 where: bonds (distance) C4'-P energy: -60.740 bonds (distance) P-C4' energy: -81.212 flat angles C4'-P-C4' energy: -96.457 flat angles P-C4'-P energy: -52.483 tors. eta vs tors. theta energy: -96.977 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: 5 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -978.921152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.921152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.921152 (E_RNA) where: Base-Base interactions energy: -633.668 where: short stacking energy: -293.059 Base-Backbone interact. energy: -0.878 local terms energy: -344.374534 where: bonds (distance) C4'-P energy: -69.855 bonds (distance) P-C4' energy: -71.298 flat angles C4'-P-C4' energy: -74.932 flat angles P-C4'-P energy: -52.974 tors. eta vs tors. theta energy: -75.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -871.089256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.089256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.089256 (E_RNA) where: Base-Base interactions energy: -556.385 where: short stacking energy: -250.714 Base-Backbone interact. energy: -1.346 local terms energy: -313.358173 where: bonds (distance) C4'-P energy: -60.669 bonds (distance) P-C4' energy: -72.324 flat angles C4'-P-C4' energy: -70.145 flat angles P-C4'-P energy: -50.284 tors. eta vs tors. theta energy: -59.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -699.203308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.203308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.203308 (E_RNA) where: Base-Base interactions energy: -399.254 where: short stacking energy: -191.658 Base-Backbone interact. energy: 2.284 local terms energy: -302.233414 where: bonds (distance) C4'-P energy: -67.401 bonds (distance) P-C4' energy: -73.075 flat angles C4'-P-C4' energy: -71.953 flat angles P-C4'-P energy: -47.023 tors. eta vs tors. theta energy: -42.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -353.015389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.015389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.015389 (E_RNA) where: Base-Base interactions energy: -122.852 where: short stacking energy: -99.763 Base-Backbone interact. energy: 2.208 local terms energy: -232.371467 where: bonds (distance) C4'-P energy: -63.378 bonds (distance) P-C4' energy: -64.798 flat angles C4'-P-C4' energy: -67.350 flat angles P-C4'-P energy: -44.321 tors. eta vs tors. theta energy: 7.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -316.683667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.683667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.683667 (E_RNA) where: Base-Base interactions energy: -105.500 where: short stacking energy: -99.210 Base-Backbone interact. energy: -2.050 local terms energy: -209.133079 where: bonds (distance) C4'-P energy: -82.159 bonds (distance) P-C4' energy: -58.859 flat angles C4'-P-C4' energy: -41.268 flat angles P-C4'-P energy: -27.610 tors. eta vs tors. theta energy: 0.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -1388.618604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.618604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.618604 (E_RNA) where: Base-Base interactions energy: -960.993 where: short stacking energy: -397.432 Base-Backbone interact. energy: -2.532 local terms energy: -425.093499 where: bonds (distance) C4'-P energy: -73.361 bonds (distance) P-C4' energy: -87.148 flat angles C4'-P-C4' energy: -88.574 flat angles P-C4'-P energy: -59.070 tors. eta vs tors. theta energy: -116.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -1318.854622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.854622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.854622 (E_RNA) where: Base-Base interactions energy: -886.893 where: short stacking energy: -384.136 Base-Backbone interact. energy: -2.006 local terms energy: -429.955885 where: bonds (distance) C4'-P energy: -78.837 bonds (distance) P-C4' energy: -80.005 flat angles C4'-P-C4' energy: -91.631 flat angles P-C4'-P energy: -54.448 tors. eta vs tors. theta energy: -125.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -1244.464664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.464664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.464664 (E_RNA) where: Base-Base interactions energy: -854.229 where: short stacking energy: -357.997 Base-Backbone interact. energy: -1.977 local terms energy: -388.258305 where: bonds (distance) C4'-P energy: -70.009 bonds (distance) P-C4' energy: -76.950 flat angles C4'-P-C4' energy: -86.525 flat angles P-C4'-P energy: -57.423 tors. eta vs tors. theta energy: -97.351 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: 1 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -1118.416631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.416631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.416631 (E_RNA) where: Base-Base interactions energy: -748.784 where: short stacking energy: -304.547 Base-Backbone interact. energy: -0.934 local terms energy: -368.698382 where: bonds (distance) C4'-P energy: -71.660 bonds (distance) P-C4' energy: -77.470 flat angles C4'-P-C4' energy: -71.781 flat angles P-C4'-P energy: -49.132 tors. eta vs tors. theta energy: -98.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -1157.771000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.771000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.771000 (E_RNA) where: Base-Base interactions energy: -781.949 where: short stacking energy: -332.512 Base-Backbone interact. energy: -0.426 local terms energy: -375.395611 where: bonds (distance) C4'-P energy: -64.624 bonds (distance) P-C4' energy: -85.503 flat angles C4'-P-C4' energy: -69.350 flat angles P-C4'-P energy: -49.822 tors. eta vs tors. theta energy: -106.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -939.625067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.625067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.625067 (E_RNA) where: Base-Base interactions energy: -604.305 where: short stacking energy: -268.228 Base-Backbone interact. energy: -1.367 local terms energy: -333.953307 where: bonds (distance) C4'-P energy: -69.162 bonds (distance) P-C4' energy: -78.533 flat angles C4'-P-C4' energy: -70.773 flat angles P-C4'-P energy: -48.780 tors. eta vs tors. theta energy: -66.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -917.465134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.465134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.465134 (E_RNA) where: Base-Base interactions energy: -605.161 where: short stacking energy: -266.945 Base-Backbone interact. energy: -1.727 local terms energy: -310.577214 where: bonds (distance) C4'-P energy: -66.520 bonds (distance) P-C4' energy: -60.872 flat angles C4'-P-C4' energy: -73.661 flat angles P-C4'-P energy: -46.047 tors. eta vs tors. theta energy: -63.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -695.549670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.549670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.549670 (E_RNA) where: Base-Base interactions energy: -407.319 where: short stacking energy: -183.921 Base-Backbone interact. energy: 1.024 local terms energy: -289.254348 where: bonds (distance) C4'-P energy: -73.608 bonds (distance) P-C4' energy: -66.797 flat angles C4'-P-C4' energy: -74.662 flat angles P-C4'-P energy: -42.465 tors. eta vs tors. theta energy: -31.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -403.671802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.671802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.671802 (E_RNA) where: Base-Base interactions energy: -155.640 where: short stacking energy: -118.320 Base-Backbone interact. energy: -0.759 local terms energy: -247.272771 where: bonds (distance) C4'-P energy: -75.817 bonds (distance) P-C4' energy: -62.990 flat angles C4'-P-C4' energy: -64.306 flat angles P-C4'-P energy: -36.426 tors. eta vs tors. theta energy: -7.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -352.420399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.420399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.420399 (E_RNA) where: Base-Base interactions energy: -112.225 where: short stacking energy: -73.689 Base-Backbone interact. energy: 1.622 local terms energy: -241.817433 where: bonds (distance) C4'-P energy: -83.189 bonds (distance) P-C4' energy: -70.233 flat angles C4'-P-C4' energy: -54.276 flat angles P-C4'-P energy: -46.991 tors. eta vs tors. theta energy: 12.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -1372.629611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.629611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.629611 (E_RNA) where: Base-Base interactions energy: -961.649 where: short stacking energy: -387.664 Base-Backbone interact. energy: -2.834 local terms energy: -408.147284 where: bonds (distance) C4'-P energy: -87.468 bonds (distance) P-C4' energy: -73.632 flat angles C4'-P-C4' energy: -81.009 flat angles P-C4'-P energy: -55.003 tors. eta vs tors. theta energy: -111.036 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: 8 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -1329.158125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.158125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.158125 (E_RNA) where: Base-Base interactions energy: -907.784 where: short stacking energy: -383.541 Base-Backbone interact. energy: 1.930 local terms energy: -423.304948 where: bonds (distance) C4'-P energy: -82.826 bonds (distance) P-C4' energy: -75.939 flat angles C4'-P-C4' energy: -82.051 flat angles P-C4'-P energy: -59.334 tors. eta vs tors. theta energy: -123.155 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: 3, replica: 9 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -1295.818463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.818463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.818463 (E_RNA) where: Base-Base interactions energy: -876.437 where: short stacking energy: -373.477 Base-Backbone interact. energy: -1.459 local terms energy: -417.922422 where: bonds (distance) C4'-P energy: -83.147 bonds (distance) P-C4' energy: -84.338 flat angles C4'-P-C4' energy: -84.018 flat angles P-C4'-P energy: -59.409 tors. eta vs tors. theta energy: -107.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -1196.216611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.216611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.216611 (E_RNA) where: Base-Base interactions energy: -828.789 where: short stacking energy: -353.744 Base-Backbone interact. energy: -1.713 local terms energy: -365.714745 where: bonds (distance) C4'-P energy: -65.940 bonds (distance) P-C4' energy: -80.285 flat angles C4'-P-C4' energy: -72.800 flat angles P-C4'-P energy: -43.314 tors. eta vs tors. theta energy: -103.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -1115.913521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.913521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.913521 (E_RNA) where: Base-Base interactions energy: -740.098 where: short stacking energy: -346.756 Base-Backbone interact. energy: 0.383 local terms energy: -376.198261 where: bonds (distance) C4'-P energy: -68.340 bonds (distance) P-C4' energy: -67.482 flat angles C4'-P-C4' energy: -83.838 flat angles P-C4'-P energy: -48.929 tors. eta vs tors. theta energy: -107.608 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: 6 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -968.530484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.530484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.530484 (E_RNA) where: Base-Base interactions energy: -634.810 where: short stacking energy: -291.323 Base-Backbone interact. energy: 2.254 local terms energy: -335.974240 where: bonds (distance) C4'-P energy: -72.580 bonds (distance) P-C4' energy: -71.111 flat angles C4'-P-C4' energy: -71.219 flat angles P-C4'-P energy: -50.624 tors. eta vs tors. theta energy: -70.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -904.292246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.292246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.292246 (E_RNA) where: Base-Base interactions energy: -589.029 where: short stacking energy: -264.573 Base-Backbone interact. energy: 0.277 local terms energy: -315.540390 where: bonds (distance) C4'-P energy: -66.603 bonds (distance) P-C4' energy: -69.504 flat angles C4'-P-C4' energy: -74.994 flat angles P-C4'-P energy: -34.850 tors. eta vs tors. theta energy: -69.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -701.493493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.493493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.493493 (E_RNA) where: Base-Base interactions energy: -394.781 where: short stacking energy: -190.650 Base-Backbone interact. energy: -2.645 local terms energy: -304.067689 where: bonds (distance) C4'-P energy: -72.960 bonds (distance) P-C4' energy: -72.663 flat angles C4'-P-C4' energy: -81.645 flat angles P-C4'-P energy: -44.507 tors. eta vs tors. theta energy: -32.293 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: 341 Temperature: 1.300000 Total energy: -359.535226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.535226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.535226 (E_RNA) where: Base-Base interactions energy: -139.729 where: short stacking energy: -112.215 Base-Backbone interact. energy: 1.563 local terms energy: -221.369788 where: bonds (distance) C4'-P energy: -63.697 bonds (distance) P-C4' energy: -71.213 flat angles C4'-P-C4' energy: -55.666 flat angles P-C4'-P energy: -36.830 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: 10 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -336.958884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.958884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.958884 (E_RNA) where: Base-Base interactions energy: -131.942 where: short stacking energy: -118.845 Base-Backbone interact. energy: -2.602 local terms energy: -202.415477 where: bonds (distance) C4'-P energy: -67.178 bonds (distance) P-C4' energy: -60.923 flat angles C4'-P-C4' energy: -48.500 flat angles P-C4'-P energy: -30.273 tors. eta vs tors. theta energy: 4.458 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: 3 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -1388.120951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.120951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.120951 (E_RNA) where: Base-Base interactions energy: -950.100 where: short stacking energy: -403.145 Base-Backbone interact. energy: -1.141 local terms energy: -436.880214 where: bonds (distance) C4'-P energy: -80.335 bonds (distance) P-C4' energy: -88.984 flat angles C4'-P-C4' energy: -84.123 flat angles P-C4'-P energy: -64.498 tors. eta vs tors. theta energy: -118.940 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: 2, replica: 8 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -1325.909308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.909308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.909308 (E_RNA) where: Base-Base interactions energy: -896.451 where: short stacking energy: -391.986 Base-Backbone interact. energy: -1.439 local terms energy: -428.018748 where: bonds (distance) C4'-P energy: -79.416 bonds (distance) P-C4' energy: -76.990 flat angles C4'-P-C4' energy: -89.258 flat angles P-C4'-P energy: -58.649 tors. eta vs tors. theta energy: -123.706 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: 9 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -1275.576357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.576357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.576357 (E_RNA) where: Base-Base interactions energy: -867.747 where: short stacking energy: -358.168 Base-Backbone interact. energy: -1.862 local terms energy: -405.967306 where: bonds (distance) C4'-P energy: -81.834 bonds (distance) P-C4' energy: -84.169 flat angles C4'-P-C4' energy: -76.175 flat angles P-C4'-P energy: -54.942 tors. eta vs tors. theta energy: -108.847 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: 7 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -1229.655376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.655376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.655376 (E_RNA) where: Base-Base interactions energy: -840.452 where: short stacking energy: -384.133 Base-Backbone interact. energy: -0.776 local terms energy: -388.427751 where: bonds (distance) C4'-P energy: -81.354 bonds (distance) P-C4' energy: -75.187 flat angles C4'-P-C4' energy: -77.629 flat angles P-C4'-P energy: -47.907 tors. eta vs tors. theta energy: -106.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -1095.725804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.725804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.725804 (E_RNA) where: Base-Base interactions energy: -731.960 where: short stacking energy: -323.419 Base-Backbone interact. energy: -2.906 local terms energy: -360.859328 where: bonds (distance) C4'-P energy: -64.537 bonds (distance) P-C4' energy: -71.930 flat angles C4'-P-C4' energy: -85.733 flat angles P-C4'-P energy: -48.533 tors. eta vs tors. theta energy: -90.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -953.592293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.592293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.592293 (E_RNA) where: Base-Base interactions energy: -623.703 where: short stacking energy: -296.741 Base-Backbone interact. energy: -1.032 local terms energy: -328.857115 where: bonds (distance) C4'-P energy: -64.550 bonds (distance) P-C4' energy: -56.525 flat angles C4'-P-C4' energy: -74.016 flat angles P-C4'-P energy: -52.068 tors. eta vs tors. theta energy: -81.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -943.646803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.646803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.646803 (E_RNA) where: Base-Base interactions energy: -613.081 where: short stacking energy: -255.707 Base-Backbone interact. energy: -2.222 local terms energy: -328.343009 where: bonds (distance) C4'-P energy: -60.209 bonds (distance) P-C4' energy: -84.306 flat angles C4'-P-C4' energy: -68.418 flat angles P-C4'-P energy: -47.771 tors. eta vs tors. theta energy: -67.639 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: 2 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -733.902714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.902714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.902714 (E_RNA) where: Base-Base interactions energy: -454.345 where: short stacking energy: -204.757 Base-Backbone interact. energy: 0.389 local terms energy: -279.947016 where: bonds (distance) C4'-P energy: -68.438 bonds (distance) P-C4' energy: -74.093 flat angles C4'-P-C4' energy: -72.494 flat angles P-C4'-P energy: -29.098 tors. eta vs tors. theta energy: -35.824 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: 9, replica: 10 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -340.800863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.800863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.800863 (E_RNA) where: Base-Base interactions energy: -118.086 where: short stacking energy: -104.289 Base-Backbone interact. energy: -1.600 local terms energy: -221.114412 where: bonds (distance) C4'-P energy: -61.996 bonds (distance) P-C4' energy: -69.987 flat angles C4'-P-C4' energy: -53.456 flat angles P-C4'-P energy: -39.216 tors. eta vs tors. theta energy: 3.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -329.272077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.272077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.272077 (E_RNA) where: Base-Base interactions energy: -101.072 where: short stacking energy: -81.292 Base-Backbone interact. energy: 0.407 local terms energy: -228.607741 where: bonds (distance) C4'-P energy: -58.028 bonds (distance) P-C4' energy: -82.633 flat angles C4'-P-C4' energy: -64.596 flat angles P-C4'-P energy: -44.172 tors. eta vs tors. theta energy: 20.821 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: 3 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -1387.953916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.953916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.953916 (E_RNA) where: Base-Base interactions energy: -967.181 where: short stacking energy: -400.974 Base-Backbone interact. energy: -3.250 local terms energy: -417.522274 where: bonds (distance) C4'-P energy: -83.638 bonds (distance) P-C4' energy: -73.044 flat angles C4'-P-C4' energy: -87.049 flat angles P-C4'-P energy: -62.299 tors. eta vs tors. theta energy: -111.491 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: 8 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -1316.545270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.545270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.545270 (E_RNA) where: Base-Base interactions energy: -889.872 where: short stacking energy: -391.668 Base-Backbone interact. energy: -1.800 local terms energy: -424.873603 where: bonds (distance) C4'-P energy: -73.392 bonds (distance) P-C4' energy: -72.185 flat angles C4'-P-C4' energy: -88.970 flat angles P-C4'-P energy: -67.258 tors. eta vs tors. theta energy: -123.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -1301.799615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.799615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.799615 (E_RNA) where: Base-Base interactions energy: -877.206 where: short stacking energy: -389.956 Base-Backbone interact. energy: 0.590 local terms energy: -425.183429 where: bonds (distance) C4'-P energy: -88.851 bonds (distance) P-C4' energy: -79.228 flat angles C4'-P-C4' energy: -84.283 flat angles P-C4'-P energy: -57.119 tors. eta vs tors. theta energy: -115.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -1241.236870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.236870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.236870 (E_RNA) where: Base-Base interactions energy: -835.633 where: short stacking energy: -366.781 Base-Backbone interact. energy: -0.843 local terms energy: -404.760603 where: bonds (distance) C4'-P energy: -58.369 bonds (distance) P-C4' energy: -79.171 flat angles C4'-P-C4' energy: -96.670 flat angles P-C4'-P energy: -59.057 tors. eta vs tors. theta energy: -111.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -1085.229194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.229194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.229194 (E_RNA) where: Base-Base interactions energy: -726.582 where: short stacking energy: -314.295 Base-Backbone interact. energy: -2.614 local terms energy: -356.033930 where: bonds (distance) C4'-P energy: -70.779 bonds (distance) P-C4' energy: -75.536 flat angles C4'-P-C4' energy: -77.616 flat angles P-C4'-P energy: -42.360 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: 5 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -953.601410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.601410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.601410 (E_RNA) where: Base-Base interactions energy: -593.223 where: short stacking energy: -279.865 Base-Backbone interact. energy: -0.862 local terms energy: -359.516753 where: bonds (distance) C4'-P energy: -69.832 bonds (distance) P-C4' energy: -72.159 flat angles C4'-P-C4' energy: -77.822 flat angles P-C4'-P energy: -51.209 tors. eta vs tors. theta energy: -88.494 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: 6 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -905.493829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.493829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.493829 (E_RNA) where: Base-Base interactions energy: -573.145 where: short stacking energy: -259.761 Base-Backbone interact. energy: -0.828 local terms energy: -331.520190 where: bonds (distance) C4'-P energy: -71.252 bonds (distance) P-C4' energy: -81.143 flat angles C4'-P-C4' energy: -59.422 flat angles P-C4'-P energy: -51.631 tors. eta vs tors. theta energy: -68.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -761.588798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.588798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.588798 (E_RNA) where: Base-Base interactions energy: -484.698 where: short stacking energy: -233.687 Base-Backbone interact. energy: 1.581 local terms energy: -278.471849 where: bonds (distance) C4'-P energy: -58.279 bonds (distance) P-C4' energy: -74.868 flat angles C4'-P-C4' energy: -67.734 flat angles P-C4'-P energy: -33.046 tors. eta vs tors. theta energy: -44.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -370.073076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.073076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.073076 (E_RNA) where: Base-Base interactions energy: -154.643 where: short stacking energy: -113.310 Base-Backbone interact. energy: -0.629 local terms energy: -214.801611 where: bonds (distance) C4'-P energy: -71.693 bonds (distance) P-C4' energy: -72.446 flat angles C4'-P-C4' energy: -51.709 flat angles P-C4'-P energy: -32.152 tors. eta vs tors. theta energy: 13.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -333.417718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.417718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.417718 (E_RNA) where: Base-Base interactions energy: -96.430 where: short stacking energy: -69.817 Base-Backbone interact. energy: 0.629 local terms energy: -237.616694 where: bonds (distance) C4'-P energy: -71.205 bonds (distance) P-C4' energy: -75.680 flat angles C4'-P-C4' energy: -69.722 flat angles P-C4'-P energy: -38.539 tors. eta vs tors. theta energy: 17.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -1370.657014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.657014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.657014 (E_RNA) where: Base-Base interactions energy: -942.683 where: short stacking energy: -409.129 Base-Backbone interact. energy: -2.656 local terms energy: -425.317767 where: bonds (distance) C4'-P energy: -76.961 bonds (distance) P-C4' energy: -82.270 flat angles C4'-P-C4' energy: -87.149 flat angles P-C4'-P energy: -67.518 tors. eta vs tors. theta energy: -111.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -1332.718873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.718873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.718873 (E_RNA) where: Base-Base interactions energy: -893.253 where: short stacking energy: -413.238 Base-Backbone interact. energy: -0.302 local terms energy: -439.164462 where: bonds (distance) C4'-P energy: -88.135 bonds (distance) P-C4' energy: -85.373 flat angles C4'-P-C4' energy: -93.353 flat angles P-C4'-P energy: -55.975 tors. eta vs tors. theta energy: -116.328 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: 3, replica: 9 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -1300.025111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.025111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.025111 (E_RNA) where: Base-Base interactions energy: -908.062 where: short stacking energy: -380.351 Base-Backbone interact. energy: -0.873 local terms energy: -391.090081 where: bonds (distance) C4'-P energy: -65.020 bonds (distance) P-C4' energy: -72.644 flat angles C4'-P-C4' energy: -86.675 flat angles P-C4'-P energy: -62.472 tors. eta vs tors. theta energy: -104.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -1225.477336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.477336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.477336 (E_RNA) where: Base-Base interactions energy: -838.249 where: short stacking energy: -379.017 Base-Backbone interact. energy: -1.879 local terms energy: -385.348833 where: bonds (distance) C4'-P energy: -82.817 bonds (distance) P-C4' energy: -62.872 flat angles C4'-P-C4' energy: -87.314 flat angles P-C4'-P energy: -38.671 tors. eta vs tors. theta energy: -113.675 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: 1 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -1083.634529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.634529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.634529 (E_RNA) where: Base-Base interactions energy: -727.750 where: short stacking energy: -325.245 Base-Backbone interact. energy: -1.634 local terms energy: -354.250868 where: bonds (distance) C4'-P energy: -76.639 bonds (distance) P-C4' energy: -74.655 flat angles C4'-P-C4' energy: -64.707 flat angles P-C4'-P energy: -54.392 tors. eta vs tors. theta energy: -83.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -955.082246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.082246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.082246 (E_RNA) where: Base-Base interactions energy: -624.264 where: short stacking energy: -288.620 Base-Backbone interact. energy: 0.728 local terms energy: -331.545459 where: bonds (distance) C4'-P energy: -61.198 bonds (distance) P-C4' energy: -52.024 flat angles C4'-P-C4' energy: -84.517 flat angles P-C4'-P energy: -60.043 tors. eta vs tors. theta energy: -73.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -830.265543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.265543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.265543 (E_RNA) where: Base-Base interactions energy: -506.489 where: short stacking energy: -232.240 Base-Backbone interact. energy: -0.074 local terms energy: -323.702168 where: bonds (distance) C4'-P energy: -77.254 bonds (distance) P-C4' energy: -76.438 flat angles C4'-P-C4' energy: -71.400 flat angles P-C4'-P energy: -52.850 tors. eta vs tors. theta energy: -45.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -833.211197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.211197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.211197 (E_RNA) where: Base-Base interactions energy: -550.513 where: short stacking energy: -243.173 Base-Backbone interact. energy: 0.229 local terms energy: -282.927598 where: bonds (distance) C4'-P energy: -54.742 bonds (distance) P-C4' energy: -63.133 flat angles C4'-P-C4' energy: -55.088 flat angles P-C4'-P energy: -45.001 tors. eta vs tors. theta energy: -64.963 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: 4 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -387.993829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.993829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.993829 (E_RNA) where: Base-Base interactions energy: -148.957 where: short stacking energy: -88.502 Base-Backbone interact. energy: 0.133 local terms energy: -239.169928 where: bonds (distance) C4'-P energy: -65.691 bonds (distance) P-C4' energy: -70.095 flat angles C4'-P-C4' energy: -54.901 flat angles P-C4'-P energy: -49.323 tors. eta vs tors. theta energy: 0.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -336.106864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.106864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.106864 (E_RNA) where: Base-Base interactions energy: -130.689 where: short stacking energy: -115.518 Base-Backbone interact. energy: -0.825 local terms energy: -204.592328 where: bonds (distance) C4'-P energy: -53.056 bonds (distance) P-C4' energy: -73.033 flat angles C4'-P-C4' energy: -40.202 flat angles P-C4'-P energy: -42.451 tors. eta vs tors. theta energy: 4.149 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: 3 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -1349.561557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.561557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.561557 (E_RNA) where: Base-Base interactions energy: -926.863 where: short stacking energy: -386.601 Base-Backbone interact. energy: -2.238 local terms energy: -420.461044 where: bonds (distance) C4'-P energy: -72.328 bonds (distance) P-C4' energy: -82.551 flat angles C4'-P-C4' energy: -93.330 flat angles P-C4'-P energy: -58.319 tors. eta vs tors. theta energy: -113.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -1308.361313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.361313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.361313 (E_RNA) where: Base-Base interactions energy: -875.154 where: short stacking energy: -393.961 Base-Backbone interact. energy: 3.418 local terms energy: -436.625796 where: bonds (distance) C4'-P energy: -85.626 bonds (distance) P-C4' energy: -85.562 flat angles C4'-P-C4' energy: -88.154 flat angles P-C4'-P energy: -52.666 tors. eta vs tors. theta energy: -124.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -1295.090795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.090795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.090795 (E_RNA) where: Base-Base interactions energy: -902.923 where: short stacking energy: -370.396 Base-Backbone interact. energy: -0.426 local terms energy: -391.742366 where: bonds (distance) C4'-P energy: -67.980 bonds (distance) P-C4' energy: -86.004 flat angles C4'-P-C4' energy: -84.414 flat angles P-C4'-P energy: -47.723 tors. eta vs tors. theta energy: -105.621 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: 345 Temperature: 1.050000 Total energy: -1212.540199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.540199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.540199 (E_RNA) where: Base-Base interactions energy: -797.858 where: short stacking energy: -351.213 Base-Backbone interact. energy: -0.365 local terms energy: -414.316853 where: bonds (distance) C4'-P energy: -71.280 bonds (distance) P-C4' energy: -84.148 flat angles C4'-P-C4' energy: -82.761 flat angles P-C4'-P energy: -52.847 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: 5, replica: 1 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -1108.736891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.736891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.736891 (E_RNA) where: Base-Base interactions energy: -719.278 where: short stacking energy: -305.603 Base-Backbone interact. energy: -3.195 local terms energy: -386.264055 where: bonds (distance) C4'-P energy: -79.945 bonds (distance) P-C4' energy: -76.127 flat angles C4'-P-C4' energy: -85.664 flat angles P-C4'-P energy: -54.670 tors. eta vs tors. theta energy: -89.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -952.629033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.629033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.629033 (E_RNA) where: Base-Base interactions energy: -608.424 where: short stacking energy: -296.243 Base-Backbone interact. energy: -0.904 local terms energy: -343.301208 where: bonds (distance) C4'-P energy: -72.699 bonds (distance) P-C4' energy: -66.333 flat angles C4'-P-C4' energy: -75.424 flat angles P-C4'-P energy: -49.016 tors. eta vs tors. theta energy: -79.829 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: 7, replica: 2 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -795.134434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.134434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.134434 (E_RNA) where: Base-Base interactions energy: -493.001 where: short stacking energy: -235.501 Base-Backbone interact. energy: -1.209 local terms energy: -300.923584 where: bonds (distance) C4'-P energy: -75.128 bonds (distance) P-C4' energy: -67.755 flat angles C4'-P-C4' energy: -65.957 flat angles P-C4'-P energy: -32.810 tors. eta vs tors. theta energy: -59.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -806.512432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.512432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.512432 (E_RNA) where: Base-Base interactions energy: -537.966 where: short stacking energy: -227.294 Base-Backbone interact. energy: -1.537 local terms energy: -267.009719 where: bonds (distance) C4'-P energy: -62.557 bonds (distance) P-C4' energy: -68.155 flat angles C4'-P-C4' energy: -57.384 flat angles P-C4'-P energy: -34.037 tors. eta vs tors. theta energy: -44.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -373.548066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.548066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.548066 (E_RNA) where: Base-Base interactions energy: -149.416 where: short stacking energy: -109.705 Base-Backbone interact. energy: -0.377 local terms energy: -223.754346 where: bonds (distance) C4'-P energy: -72.353 bonds (distance) P-C4' energy: -75.363 flat angles C4'-P-C4' energy: -54.770 flat angles P-C4'-P energy: -24.429 tors. eta vs tors. theta energy: 3.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -316.079333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.079333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.079333 (E_RNA) where: Base-Base interactions energy: -121.918 where: short stacking energy: -86.915 Base-Backbone interact. energy: -1.004 local terms energy: -193.156871 where: bonds (distance) C4'-P energy: -58.698 bonds (distance) P-C4' energy: -71.054 flat angles C4'-P-C4' energy: -38.827 flat angles P-C4'-P energy: -32.893 tors. eta vs tors. theta energy: 8.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -1353.939773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.939773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.939773 (E_RNA) where: Base-Base interactions energy: -925.176 where: short stacking energy: -382.594 Base-Backbone interact. energy: -3.458 local terms energy: -425.305405 where: bonds (distance) C4'-P energy: -84.277 bonds (distance) P-C4' energy: -79.498 flat angles C4'-P-C4' energy: -82.930 flat angles P-C4'-P energy: -60.160 tors. eta vs tors. theta energy: -118.440 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: 8 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -1320.214519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.214519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.214519 (E_RNA) where: Base-Base interactions energy: -892.914 where: short stacking energy: -402.658 Base-Backbone interact. energy: -0.731 local terms energy: -426.570211 where: bonds (distance) C4'-P energy: -89.370 bonds (distance) P-C4' energy: -67.623 flat angles C4'-P-C4' energy: -89.171 flat angles P-C4'-P energy: -62.225 tors. eta vs tors. theta energy: -118.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -1307.427107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.427107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.427107 (E_RNA) where: Base-Base interactions energy: -903.796 where: short stacking energy: -375.048 Base-Backbone interact. energy: -1.350 local terms energy: -402.280806 where: bonds (distance) C4'-P energy: -81.955 bonds (distance) P-C4' energy: -79.294 flat angles C4'-P-C4' energy: -89.655 flat angles P-C4'-P energy: -45.863 tors. eta vs tors. theta energy: -105.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -1208.130092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.130092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.130092 (E_RNA) where: Base-Base interactions energy: -823.710 where: short stacking energy: -361.800 Base-Backbone interact. energy: -0.527 local terms energy: -383.893638 where: bonds (distance) C4'-P energy: -75.529 bonds (distance) P-C4' energy: -76.012 flat angles C4'-P-C4' energy: -71.516 flat angles P-C4'-P energy: -50.804 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: 5, replica: 1 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -1055.591823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.591823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.591823 (E_RNA) where: Base-Base interactions energy: -716.260 where: short stacking energy: -290.379 Base-Backbone interact. energy: 2.992 local terms energy: -342.324071 where: bonds (distance) C4'-P energy: -70.735 bonds (distance) P-C4' energy: -75.547 flat angles C4'-P-C4' energy: -77.348 flat angles P-C4'-P energy: -43.380 tors. eta vs tors. theta energy: -75.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -1011.417026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.417026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.417026 (E_RNA) where: Base-Base interactions energy: -658.387 where: short stacking energy: -329.305 Base-Backbone interact. energy: -2.165 local terms energy: -350.864954 where: bonds (distance) C4'-P energy: -57.577 bonds (distance) P-C4' energy: -76.677 flat angles C4'-P-C4' energy: -80.366 flat angles P-C4'-P energy: -43.018 tors. eta vs tors. theta energy: -93.227 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: 2 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -834.669146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.669146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.669146 (E_RNA) where: Base-Base interactions energy: -515.435 where: short stacking energy: -234.579 Base-Backbone interact. energy: 0.112 local terms energy: -319.345803 where: bonds (distance) C4'-P energy: -75.387 bonds (distance) P-C4' energy: -75.082 flat angles C4'-P-C4' energy: -68.362 flat angles P-C4'-P energy: -37.067 tors. eta vs tors. theta energy: -63.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -869.287525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.287525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.287525 (E_RNA) where: Base-Base interactions energy: -561.355 where: short stacking energy: -236.254 Base-Backbone interact. energy: 2.129 local terms energy: -310.061570 where: bonds (distance) C4'-P energy: -68.818 bonds (distance) P-C4' energy: -74.460 flat angles C4'-P-C4' energy: -64.525 flat angles P-C4'-P energy: -42.843 tors. eta vs tors. theta energy: -59.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -333.380770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.380770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.380770 (E_RNA) where: Base-Base interactions energy: -112.649 where: short stacking energy: -88.162 Base-Backbone interact. energy: 0.707 local terms energy: -221.439352 where: bonds (distance) C4'-P energy: -77.777 bonds (distance) P-C4' energy: -75.004 flat angles C4'-P-C4' energy: -51.204 flat angles P-C4'-P energy: -35.054 tors. eta vs tors. theta energy: 17.600 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: 10 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -366.166939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.166939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.166939 (E_RNA) where: Base-Base interactions energy: -150.982 where: short stacking energy: -95.298 Base-Backbone interact. energy: 2.095 local terms energy: -217.280041 where: bonds (distance) C4'-P energy: -59.826 bonds (distance) P-C4' energy: -72.679 flat angles C4'-P-C4' energy: -52.598 flat angles P-C4'-P energy: -36.020 tors. eta vs tors. theta energy: 3.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -1375.995418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.995418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.995418 (E_RNA) where: Base-Base interactions energy: -953.004 where: short stacking energy: -404.213 Base-Backbone interact. energy: -2.734 local terms energy: -420.256593 where: bonds (distance) C4'-P energy: -74.774 bonds (distance) P-C4' energy: -88.066 flat angles C4'-P-C4' energy: -84.646 flat angles P-C4'-P energy: -53.054 tors. eta vs tors. theta energy: -119.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -1296.284048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.284048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.284048 (E_RNA) where: Base-Base interactions energy: -876.701 where: short stacking energy: -378.882 Base-Backbone interact. energy: -1.064 local terms energy: -418.519218 where: bonds (distance) C4'-P energy: -72.917 bonds (distance) P-C4' energy: -87.966 flat angles C4'-P-C4' energy: -91.726 flat angles P-C4'-P energy: -57.324 tors. eta vs tors. theta energy: -108.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -1282.773080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.773080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.773080 (E_RNA) where: Base-Base interactions energy: -873.041 where: short stacking energy: -370.388 Base-Backbone interact. energy: 0.195 local terms energy: -409.926583 where: bonds (distance) C4'-P energy: -70.252 bonds (distance) P-C4' energy: -69.643 flat angles C4'-P-C4' energy: -90.632 flat angles P-C4'-P energy: -59.175 tors. eta vs tors. theta energy: -120.224 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: 347 Temperature: 1.050000 Total energy: -1210.100856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.100856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.100856 (E_RNA) where: Base-Base interactions energy: -800.557 where: short stacking energy: -358.589 Base-Backbone interact. energy: -0.629 local terms energy: -408.915765 where: bonds (distance) C4'-P energy: -73.997 bonds (distance) P-C4' energy: -86.264 flat angles C4'-P-C4' energy: -86.966 flat angles P-C4'-P energy: -59.217 tors. eta vs tors. theta energy: -102.471 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: 1 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -1043.533651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.533651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.533651 (E_RNA) where: Base-Base interactions energy: -691.258 where: short stacking energy: -299.002 Base-Backbone interact. energy: 2.075 local terms energy: -354.350714 where: bonds (distance) C4'-P energy: -64.121 bonds (distance) P-C4' energy: -63.743 flat angles C4'-P-C4' energy: -82.310 flat angles P-C4'-P energy: -63.499 tors. eta vs tors. theta energy: -80.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -873.652470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.652470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.652470 (E_RNA) where: Base-Base interactions energy: -522.608 where: short stacking energy: -254.037 Base-Backbone interact. energy: -0.198 local terms energy: -350.846736 where: bonds (distance) C4'-P energy: -70.340 bonds (distance) P-C4' energy: -72.866 flat angles C4'-P-C4' energy: -86.421 flat angles P-C4'-P energy: -60.990 tors. eta vs tors. theta energy: -60.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -931.133015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.133015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.133015 (E_RNA) where: Base-Base interactions energy: -599.830 where: short stacking energy: -283.738 Base-Backbone interact. energy: -0.992 local terms energy: -330.310772 where: bonds (distance) C4'-P energy: -62.477 bonds (distance) P-C4' energy: -73.614 flat angles C4'-P-C4' energy: -79.877 flat angles P-C4'-P energy: -45.532 tors. eta vs tors. theta energy: -68.811 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: 347 Temperature: 1.250000 Total energy: -843.789400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.789400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.789400 (E_RNA) where: Base-Base interactions energy: -537.783 where: short stacking energy: -224.280 Base-Backbone interact. energy: -3.133 local terms energy: -302.873417 where: bonds (distance) C4'-P energy: -57.757 bonds (distance) P-C4' energy: -82.867 flat angles C4'-P-C4' energy: -71.357 flat angles P-C4'-P energy: -33.254 tors. eta vs tors. theta energy: -57.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -350.488644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.488644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.488644 (E_RNA) where: Base-Base interactions energy: -128.227 where: short stacking energy: -105.836 Base-Backbone interact. energy: 3.757 local terms energy: -226.018400 where: bonds (distance) C4'-P energy: -81.361 bonds (distance) P-C4' energy: -60.881 flat angles C4'-P-C4' energy: -50.098 flat angles P-C4'-P energy: -42.075 tors. eta vs tors. theta energy: 8.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -325.492306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.492306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.492306 (E_RNA) where: Base-Base interactions energy: -117.583 where: short stacking energy: -76.159 Base-Backbone interact. energy: 0.413 local terms energy: -208.321878 where: bonds (distance) C4'-P energy: -66.764 bonds (distance) P-C4' energy: -72.416 flat angles C4'-P-C4' energy: -56.405 flat angles P-C4'-P energy: -26.914 tors. eta vs tors. theta energy: 14.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -1381.304453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.304453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.304453 (E_RNA) where: Base-Base interactions energy: -973.032 where: short stacking energy: -402.782 Base-Backbone interact. energy: -3.386 local terms energy: -404.885839 where: bonds (distance) C4'-P energy: -70.845 bonds (distance) P-C4' energy: -76.211 flat angles C4'-P-C4' energy: -84.378 flat angles P-C4'-P energy: -58.118 tors. eta vs tors. theta energy: -115.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -1322.727714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.727714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.727714 (E_RNA) where: Base-Base interactions energy: -915.330 where: short stacking energy: -396.663 Base-Backbone interact. energy: 0.084 local terms energy: -407.481620 where: bonds (distance) C4'-P energy: -70.362 bonds (distance) P-C4' energy: -72.708 flat angles C4'-P-C4' energy: -89.592 flat angles P-C4'-P energy: -61.580 tors. eta vs tors. theta energy: -113.240 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: 8 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -1303.436556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.436556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.436556 (E_RNA) where: Base-Base interactions energy: -879.410 where: short stacking energy: -412.444 Base-Backbone interact. energy: -0.409 local terms energy: -423.618269 where: bonds (distance) C4'-P energy: -71.797 bonds (distance) P-C4' energy: -82.262 flat angles C4'-P-C4' energy: -88.382 flat angles P-C4'-P energy: -50.074 tors. eta vs tors. theta energy: -131.103 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: 7 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -1225.549070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.549070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.549070 (E_RNA) where: Base-Base interactions energy: -824.947 where: short stacking energy: -369.991 Base-Backbone interact. energy: -0.665 local terms energy: -399.937726 where: bonds (distance) C4'-P energy: -74.388 bonds (distance) P-C4' energy: -83.480 flat angles C4'-P-C4' energy: -80.688 flat angles P-C4'-P energy: -51.558 tors. eta vs tors. theta energy: -109.824 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: 5, replica: 1 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -1065.900147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.900147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.900147 (E_RNA) where: Base-Base interactions energy: -694.197 where: short stacking energy: -298.114 Base-Backbone interact. energy: -3.001 local terms energy: -368.702444 where: bonds (distance) C4'-P energy: -67.862 bonds (distance) P-C4' energy: -73.970 flat angles C4'-P-C4' energy: -86.687 flat angles P-C4'-P energy: -57.305 tors. eta vs tors. theta energy: -82.879 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: 2 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -864.481751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.481751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.481751 (E_RNA) where: Base-Base interactions energy: -536.053 where: short stacking energy: -251.033 Base-Backbone interact. energy: -2.454 local terms energy: -325.974959 where: bonds (distance) C4'-P energy: -59.378 bonds (distance) P-C4' energy: -71.619 flat angles C4'-P-C4' energy: -72.581 flat angles P-C4'-P energy: -58.090 tors. eta vs tors. theta energy: -64.307 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: 7, replica: 6 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -964.512961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.512961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.512961 (E_RNA) where: Base-Base interactions energy: -609.974 where: short stacking energy: -271.828 Base-Backbone interact. energy: -1.211 local terms energy: -353.328594 where: bonds (distance) C4'-P energy: -67.869 bonds (distance) P-C4' energy: -74.902 flat angles C4'-P-C4' energy: -72.613 flat angles P-C4'-P energy: -54.142 tors. eta vs tors. theta energy: -83.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -893.966448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.966448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.966448 (E_RNA) where: Base-Base interactions energy: -565.722 where: short stacking energy: -265.126 Base-Backbone interact. energy: 0.830 local terms energy: -329.074531 where: bonds (distance) C4'-P energy: -74.835 bonds (distance) P-C4' energy: -75.186 flat angles C4'-P-C4' energy: -60.004 flat angles P-C4'-P energy: -49.673 tors. eta vs tors. theta energy: -69.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -344.800626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.800626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.800626 (E_RNA) where: Base-Base interactions energy: -136.797 where: short stacking energy: -91.347 Base-Backbone interact. energy: 6.161 local terms energy: -214.164409 where: bonds (distance) C4'-P energy: -72.845 bonds (distance) P-C4' energy: -62.868 flat angles C4'-P-C4' energy: -58.543 flat angles P-C4'-P energy: -40.669 tors. eta vs tors. theta energy: 20.760 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: 10, replica: 10 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -318.673311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.673311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.673311 (E_RNA) where: Base-Base interactions energy: -102.185 where: short stacking energy: -70.096 Base-Backbone interact. energy: -2.174 local terms energy: -214.313798 where: bonds (distance) C4'-P energy: -61.621 bonds (distance) P-C4' energy: -76.481 flat angles C4'-P-C4' energy: -62.648 flat angles P-C4'-P energy: -32.081 tors. eta vs tors. theta energy: 18.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -1357.403671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.403671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.403671 (E_RNA) where: Base-Base interactions energy: -918.605 where: short stacking energy: -396.024 Base-Backbone interact. energy: -2.594 local terms energy: -436.204662 where: bonds (distance) C4'-P energy: -78.959 bonds (distance) P-C4' energy: -77.691 flat angles C4'-P-C4' energy: -90.683 flat angles P-C4'-P energy: -67.477 tors. eta vs tors. theta energy: -121.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -1279.141213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.141213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.141213 (E_RNA) where: Base-Base interactions energy: -878.858 where: short stacking energy: -383.177 Base-Backbone interact. energy: -2.433 local terms energy: -397.849705 where: bonds (distance) C4'-P energy: -71.273 bonds (distance) P-C4' energy: -73.254 flat angles C4'-P-C4' energy: -84.811 flat angles P-C4'-P energy: -59.042 tors. eta vs tors. theta energy: -109.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -1289.214016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.214016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.214016 (E_RNA) where: Base-Base interactions energy: -860.455 where: short stacking energy: -388.702 Base-Backbone interact. energy: 3.213 local terms energy: -431.972271 where: bonds (distance) C4'-P energy: -73.447 bonds (distance) P-C4' energy: -76.632 flat angles C4'-P-C4' energy: -89.750 flat angles P-C4'-P energy: -64.663 tors. eta vs tors. theta energy: -127.481 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: 7 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -1229.915019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.915019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.915019 (E_RNA) where: Base-Base interactions energy: -825.977 where: short stacking energy: -359.364 Base-Backbone interact. energy: -0.626 local terms energy: -403.312466 where: bonds (distance) C4'-P energy: -69.288 bonds (distance) P-C4' energy: -80.790 flat angles C4'-P-C4' energy: -83.838 flat angles P-C4'-P energy: -55.503 tors. eta vs tors. theta energy: -113.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -1071.441530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.441530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.441530 (E_RNA) where: Base-Base interactions energy: -736.246 where: short stacking energy: -326.195 Base-Backbone interact. energy: 1.380 local terms energy: -336.575209 where: bonds (distance) C4'-P energy: -71.006 bonds (distance) P-C4' energy: -63.212 flat angles C4'-P-C4' energy: -81.510 flat angles P-C4'-P energy: -40.952 tors. eta vs tors. theta energy: -79.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -982.159512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.159512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.159512 (E_RNA) where: Base-Base interactions energy: -612.580 where: short stacking energy: -292.697 Base-Backbone interact. energy: -1.143 local terms energy: -368.436526 where: bonds (distance) C4'-P energy: -80.687 bonds (distance) P-C4' energy: -66.287 flat angles C4'-P-C4' energy: -80.495 flat angles P-C4'-P energy: -51.327 tors. eta vs tors. theta energy: -89.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -869.188627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.188627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.188627 (E_RNA) where: Base-Base interactions energy: -559.604 where: short stacking energy: -268.223 Base-Backbone interact. energy: 0.914 local terms energy: -310.498100 where: bonds (distance) C4'-P energy: -67.089 bonds (distance) P-C4' energy: -75.306 flat angles C4'-P-C4' energy: -73.926 flat angles P-C4'-P energy: -41.399 tors. eta vs tors. theta energy: -52.779 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: 349 Temperature: 1.250000 Total energy: -849.185283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.185283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.185283 (E_RNA) where: Base-Base interactions energy: -552.489 where: short stacking energy: -238.789 Base-Backbone interact. energy: 1.281 local terms energy: -297.976858 where: bonds (distance) C4'-P energy: -62.477 bonds (distance) P-C4' energy: -74.480 flat angles C4'-P-C4' energy: -70.806 flat angles P-C4'-P energy: -37.764 tors. eta vs tors. theta energy: -52.450 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: 4 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -342.583984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.583984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.583984 (E_RNA) where: Base-Base interactions energy: -123.764 where: short stacking energy: -102.144 Base-Backbone interact. energy: 1.959 local terms energy: -220.779333 where: bonds (distance) C4'-P energy: -70.013 bonds (distance) P-C4' energy: -66.120 flat angles C4'-P-C4' energy: -63.780 flat angles P-C4'-P energy: -39.572 tors. eta vs tors. theta energy: 18.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -391.202688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.202688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.202688 (E_RNA) where: Base-Base interactions energy: -150.506 where: short stacking energy: -83.496 Base-Backbone interact. energy: -1.147 local terms energy: -239.549992 where: bonds (distance) C4'-P energy: -61.112 bonds (distance) P-C4' energy: -75.642 flat angles C4'-P-C4' energy: -70.477 flat angles P-C4'-P energy: -38.664 tors. eta vs tors. theta energy: 6.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -1351.271674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.271674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.271674 (E_RNA) where: Base-Base interactions energy: -927.094 where: short stacking energy: -393.143 Base-Backbone interact. energy: -1.165 local terms energy: -423.012898 where: bonds (distance) C4'-P energy: -80.562 bonds (distance) P-C4' energy: -84.898 flat angles C4'-P-C4' energy: -85.437 flat angles P-C4'-P energy: -56.681 tors. eta vs tors. theta energy: -115.435 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: 2, replica: 9 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -1287.632397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.632397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.632397 (E_RNA) where: Base-Base interactions energy: -871.478 where: short stacking energy: -366.736 Base-Backbone interact. energy: -1.774 local terms energy: -414.379918 where: bonds (distance) C4'-P energy: -84.828 bonds (distance) P-C4' energy: -83.319 flat angles C4'-P-C4' energy: -87.507 flat angles P-C4'-P energy: -61.665 tors. eta vs tors. theta energy: -97.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -1326.161393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.161393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.161393 (E_RNA) where: Base-Base interactions energy: -885.939 where: short stacking energy: -398.517 Base-Backbone interact. energy: -0.602 local terms energy: -439.620983 where: bonds (distance) C4'-P energy: -83.473 bonds (distance) P-C4' energy: -76.486 flat angles C4'-P-C4' energy: -89.409 flat angles P-C4'-P energy: -65.008 tors. eta vs tors. theta energy: -125.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -1238.714462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.714462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.714462 (E_RNA) where: Base-Base interactions energy: -838.972 where: short stacking energy: -360.130 Base-Backbone interact. energy: -0.138 local terms energy: -399.604328 where: bonds (distance) C4'-P energy: -68.242 bonds (distance) P-C4' energy: -83.188 flat angles C4'-P-C4' energy: -84.382 flat angles P-C4'-P energy: -54.407 tors. eta vs tors. theta energy: -109.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -1111.376227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.376227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.376227 (E_RNA) where: Base-Base interactions energy: -740.315 where: short stacking energy: -327.925 Base-Backbone interact. energy: -0.520 local terms energy: -370.540969 where: bonds (distance) C4'-P energy: -75.124 bonds (distance) P-C4' energy: -84.918 flat angles C4'-P-C4' energy: -62.821 flat angles P-C4'-P energy: -52.403 tors. eta vs tors. theta energy: -95.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -976.490562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.490562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.490562 (E_RNA) where: Base-Base interactions energy: -614.725 where: short stacking energy: -299.743 Base-Backbone interact. energy: 0.310 local terms energy: -362.075275 where: bonds (distance) C4'-P energy: -72.615 bonds (distance) P-C4' energy: -72.922 flat angles C4'-P-C4' energy: -78.916 flat angles P-C4'-P energy: -44.346 tors. eta vs tors. theta energy: -93.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -887.263593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.263593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.263593 (E_RNA) where: Base-Base interactions energy: -561.279 where: short stacking energy: -247.736 Base-Backbone interact. energy: -0.913 local terms energy: -325.071631 where: bonds (distance) C4'-P energy: -68.102 bonds (distance) P-C4' energy: -72.664 flat angles C4'-P-C4' energy: -86.012 flat angles P-C4'-P energy: -31.288 tors. eta vs tors. theta energy: -67.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -803.504233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.504233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.504233 (E_RNA) where: Base-Base interactions energy: -492.033 where: short stacking energy: -223.364 Base-Backbone interact. energy: -2.921 local terms energy: -308.550186 where: bonds (distance) C4'-P energy: -68.016 bonds (distance) P-C4' energy: -77.939 flat angles C4'-P-C4' energy: -65.483 flat angles P-C4'-P energy: -40.570 tors. eta vs tors. theta energy: -56.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -394.933086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.933086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.933086 (E_RNA) where: Base-Base interactions energy: -183.000 where: short stacking energy: -114.200 Base-Backbone interact. energy: 1.237 local terms energy: -213.169523 where: bonds (distance) C4'-P energy: -55.125 bonds (distance) P-C4' energy: -68.423 flat angles C4'-P-C4' energy: -62.149 flat angles P-C4'-P energy: -30.691 tors. eta vs tors. theta energy: 3.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -391.391329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.391329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.391329 (E_RNA) where: Base-Base interactions energy: -143.267 where: short stacking energy: -96.810 Base-Backbone interact. energy: -1.552 local terms energy: -246.572605 where: bonds (distance) C4'-P energy: -76.244 bonds (distance) P-C4' energy: -66.898 flat angles C4'-P-C4' energy: -67.071 flat angles P-C4'-P energy: -42.482 tors. eta vs tors. theta energy: 6.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -1368.432678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.432678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.432678 (E_RNA) where: Base-Base interactions energy: -955.348 where: short stacking energy: -394.512 Base-Backbone interact. energy: -2.130 local terms energy: -410.955068 where: bonds (distance) C4'-P energy: -72.178 bonds (distance) P-C4' energy: -77.928 flat angles C4'-P-C4' energy: -88.930 flat angles P-C4'-P energy: -61.913 tors. eta vs tors. theta energy: -110.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -1350.552265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.552265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.552265 (E_RNA) where: Base-Base interactions energy: -923.126 where: short stacking energy: -432.579 Base-Backbone interact. energy: -1.319 local terms energy: -426.107494 where: bonds (distance) C4'-P energy: -68.965 bonds (distance) P-C4' energy: -71.470 flat angles C4'-P-C4' energy: -96.353 flat angles P-C4'-P energy: -59.749 tors. eta vs tors. theta energy: -129.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -1237.553707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.553707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.553707 (E_RNA) where: Base-Base interactions energy: -841.676 where: short stacking energy: -346.904 Base-Backbone interact. energy: -0.955 local terms energy: -394.922597 where: bonds (distance) C4'-P energy: -68.850 bonds (distance) P-C4' energy: -72.870 flat angles C4'-P-C4' energy: -88.821 flat angles P-C4'-P energy: -64.621 tors. eta vs tors. theta energy: -99.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -1235.195196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.195196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.195196 (E_RNA) where: Base-Base interactions energy: -832.281 where: short stacking energy: -355.014 Base-Backbone interact. energy: -1.916 local terms energy: -400.997629 where: bonds (distance) C4'-P energy: -76.641 bonds (distance) P-C4' energy: -80.752 flat angles C4'-P-C4' energy: -83.540 flat angles P-C4'-P energy: -43.017 tors. eta vs tors. theta energy: -117.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -1107.582430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.582430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.582430 (E_RNA) where: Base-Base interactions energy: -732.041 where: short stacking energy: -328.017 Base-Backbone interact. energy: -2.410 local terms energy: -373.132281 where: bonds (distance) C4'-P energy: -78.430 bonds (distance) P-C4' energy: -74.878 flat angles C4'-P-C4' energy: -87.096 flat angles P-C4'-P energy: -38.008 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: 6, replica: 6 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -954.228678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.228678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.228678 (E_RNA) where: Base-Base interactions energy: -625.567 where: short stacking energy: -296.128 Base-Backbone interact. energy: -2.563 local terms energy: -326.098571 where: bonds (distance) C4'-P energy: -61.776 bonds (distance) P-C4' energy: -70.011 flat angles C4'-P-C4' energy: -70.766 flat angles P-C4'-P energy: -40.306 tors. eta vs tors. theta energy: -83.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -904.992098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.992098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.992098 (E_RNA) where: Base-Base interactions energy: -584.658 where: short stacking energy: -274.745 Base-Backbone interact. energy: -0.132 local terms energy: -320.202309 where: bonds (distance) C4'-P energy: -52.461 bonds (distance) P-C4' energy: -67.081 flat angles C4'-P-C4' energy: -73.877 flat angles P-C4'-P energy: -54.949 tors. eta vs tors. theta energy: -71.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -812.910848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.910848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.910848 (E_RNA) where: Base-Base interactions energy: -518.778 where: short stacking energy: -224.232 Base-Backbone interact. energy: 0.437 local terms energy: -294.570012 where: bonds (distance) C4'-P energy: -62.343 bonds (distance) P-C4' energy: -75.898 flat angles C4'-P-C4' energy: -75.725 flat angles P-C4'-P energy: -48.522 tors. eta vs tors. theta energy: -32.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -407.740749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.740749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.740749 (E_RNA) where: Base-Base interactions energy: -181.603 where: short stacking energy: -106.083 Base-Backbone interact. energy: -0.145 local terms energy: -225.991999 where: bonds (distance) C4'-P energy: -70.124 bonds (distance) P-C4' energy: -69.458 flat angles C4'-P-C4' energy: -61.817 flat angles P-C4'-P energy: -39.689 tors. eta vs tors. theta energy: 15.096 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: 10, replica: 4 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -402.947200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.947200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.947200 (E_RNA) where: Base-Base interactions energy: -215.899 where: short stacking energy: -139.215 Base-Backbone interact. energy: 1.304 local terms energy: -188.352300 where: bonds (distance) C4'-P energy: -44.506 bonds (distance) P-C4' energy: -50.442 flat angles C4'-P-C4' energy: -54.066 flat angles P-C4'-P energy: -36.116 tors. eta vs tors. theta energy: -3.222 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: 3 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -1397.159725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.159725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.159725 (E_RNA) where: Base-Base interactions energy: -968.854 where: short stacking energy: -409.090 Base-Backbone interact. energy: -1.869 local terms energy: -426.436210 where: bonds (distance) C4'-P energy: -76.165 bonds (distance) P-C4' energy: -79.210 flat angles C4'-P-C4' energy: -97.443 flat angles P-C4'-P energy: -59.692 tors. eta vs tors. theta energy: -113.927 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: 8 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -1342.181644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.181644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.181644 (E_RNA) where: Base-Base interactions energy: -906.507 where: short stacking energy: -400.976 Base-Backbone interact. energy: -0.441 local terms energy: -435.232926 where: bonds (distance) C4'-P energy: -79.181 bonds (distance) P-C4' energy: -77.084 flat angles C4'-P-C4' energy: -88.943 flat angles P-C4'-P energy: -61.104 tors. eta vs tors. theta energy: -128.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -1289.489753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.489753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.489753 (E_RNA) where: Base-Base interactions energy: -862.824 where: short stacking energy: -390.637 Base-Backbone interact. energy: -1.337 local terms energy: -425.328959 where: bonds (distance) C4'-P energy: -72.683 bonds (distance) P-C4' energy: -76.204 flat angles C4'-P-C4' energy: -90.547 flat angles P-C4'-P energy: -60.375 tors. eta vs tors. theta energy: -125.521 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: 9 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -1218.152396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.152396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.152396 (E_RNA) where: Base-Base interactions energy: -836.245 where: short stacking energy: -341.522 Base-Backbone interact. energy: -0.889 local terms energy: -381.018216 where: bonds (distance) C4'-P energy: -74.597 bonds (distance) P-C4' energy: -78.387 flat angles C4'-P-C4' energy: -76.586 flat angles P-C4'-P energy: -52.854 tors. eta vs tors. theta energy: -98.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -1053.154740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.154740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.154740 (E_RNA) where: Base-Base interactions energy: -690.733 where: short stacking energy: -311.285 Base-Backbone interact. energy: -1.926 local terms energy: -360.495124 where: bonds (distance) C4'-P energy: -78.740 bonds (distance) P-C4' energy: -80.136 flat angles C4'-P-C4' energy: -69.692 flat angles P-C4'-P energy: -53.736 tors. eta vs tors. theta energy: -78.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -931.000220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.000220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.000220 (E_RNA) where: Base-Base interactions energy: -591.217 where: short stacking energy: -257.977 Base-Backbone interact. energy: -0.036 local terms energy: -339.747149 where: bonds (distance) C4'-P energy: -70.301 bonds (distance) P-C4' energy: -78.437 flat angles C4'-P-C4' energy: -74.975 flat angles P-C4'-P energy: -49.193 tors. eta vs tors. theta energy: -66.841 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: 2 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -884.753261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.753261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.753261 (E_RNA) where: Base-Base interactions energy: -553.715 where: short stacking energy: -243.019 Base-Backbone interact. energy: 0.157 local terms energy: -331.195010 where: bonds (distance) C4'-P energy: -71.407 bonds (distance) P-C4' energy: -69.924 flat angles C4'-P-C4' energy: -82.503 flat angles P-C4'-P energy: -49.388 tors. eta vs tors. theta energy: -57.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -817.045308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.045308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.045308 (E_RNA) where: Base-Base interactions energy: -512.114 where: short stacking energy: -238.087 Base-Backbone interact. energy: -2.666 local terms energy: -302.264987 where: bonds (distance) C4'-P energy: -65.150 bonds (distance) P-C4' energy: -72.384 flat angles C4'-P-C4' energy: -70.902 flat angles P-C4'-P energy: -43.201 tors. eta vs tors. theta energy: -50.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -402.956342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.956342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.956342 (E_RNA) where: Base-Base interactions energy: -168.735 where: short stacking energy: -104.406 Base-Backbone interact. energy: -1.770 local terms energy: -232.450709 where: bonds (distance) C4'-P energy: -52.872 bonds (distance) P-C4' energy: -69.801 flat angles C4'-P-C4' energy: -63.278 flat angles P-C4'-P energy: -39.698 tors. eta vs tors. theta energy: -6.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -343.618700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.618700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.618700 (E_RNA) where: Base-Base interactions energy: -136.289 where: short stacking energy: -92.981 Base-Backbone interact. energy: 1.085 local terms energy: -208.415070 where: bonds (distance) C4'-P energy: -52.964 bonds (distance) P-C4' energy: -82.608 flat angles C4'-P-C4' energy: -55.792 flat angles P-C4'-P energy: -31.819 tors. eta vs tors. theta energy: 14.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -1373.077993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.077993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.077993 (E_RNA) where: Base-Base interactions energy: -943.209 where: short stacking energy: -397.191 Base-Backbone interact. energy: 0.655 local terms energy: -430.523532 where: bonds (distance) C4'-P energy: -74.986 bonds (distance) P-C4' energy: -73.122 flat angles C4'-P-C4' energy: -89.335 flat angles P-C4'-P energy: -70.177 tors. eta vs tors. theta energy: -122.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -1333.534786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.534786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.534786 (E_RNA) where: Base-Base interactions energy: -900.276 where: short stacking energy: -403.766 Base-Backbone interact. energy: -1.381 local terms energy: -431.877951 where: bonds (distance) C4'-P energy: -75.452 bonds (distance) P-C4' energy: -81.700 flat angles C4'-P-C4' energy: -83.269 flat angles P-C4'-P energy: -58.551 tors. eta vs tors. theta energy: -132.905 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: 7 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -1294.321610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.321610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.321610 (E_RNA) where: Base-Base interactions energy: -874.094 where: short stacking energy: -389.520 Base-Backbone interact. energy: 3.028 local terms energy: -423.255499 where: bonds (distance) C4'-P energy: -77.512 bonds (distance) P-C4' energy: -77.466 flat angles C4'-P-C4' energy: -91.357 flat angles P-C4'-P energy: -61.947 tors. eta vs tors. theta energy: -114.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -1204.642455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.642455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.642455 (E_RNA) where: Base-Base interactions energy: -803.186 where: short stacking energy: -341.188 Base-Backbone interact. energy: 0.714 local terms energy: -402.170838 where: bonds (distance) C4'-P energy: -78.644 bonds (distance) P-C4' energy: -79.070 flat angles C4'-P-C4' energy: -86.486 flat angles P-C4'-P energy: -51.109 tors. eta vs tors. theta energy: -106.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -1051.185074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.185074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.185074 (E_RNA) where: Base-Base interactions energy: -687.076 where: short stacking energy: -305.831 Base-Backbone interact. energy: -1.531 local terms energy: -362.577596 where: bonds (distance) C4'-P energy: -74.181 bonds (distance) P-C4' energy: -67.434 flat angles C4'-P-C4' energy: -81.200 flat angles P-C4'-P energy: -57.308 tors. eta vs tors. theta energy: -82.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -985.172591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.172591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.172591 (E_RNA) where: Base-Base interactions energy: -641.807 where: short stacking energy: -299.763 Base-Backbone interact. energy: -1.890 local terms energy: -341.476240 where: bonds (distance) C4'-P energy: -73.724 bonds (distance) P-C4' energy: -56.130 flat angles C4'-P-C4' energy: -80.343 flat angles P-C4'-P energy: -46.902 tors. eta vs tors. theta energy: -84.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -866.254385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.254385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.254385 (E_RNA) where: Base-Base interactions energy: -560.391 where: short stacking energy: -255.882 Base-Backbone interact. energy: -0.842 local terms energy: -305.021905 where: bonds (distance) C4'-P energy: -67.726 bonds (distance) P-C4' energy: -71.919 flat angles C4'-P-C4' energy: -71.523 flat angles P-C4'-P energy: -45.859 tors. eta vs tors. theta energy: -47.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -768.510712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.510712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.510712 (E_RNA) where: Base-Base interactions energy: -475.355 where: short stacking energy: -215.211 Base-Backbone interact. energy: -2.009 local terms energy: -291.146600 where: bonds (distance) C4'-P energy: -71.758 bonds (distance) P-C4' energy: -72.452 flat angles C4'-P-C4' energy: -52.835 flat angles P-C4'-P energy: -44.225 tors. eta vs tors. theta energy: -49.876 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: 9, replica: 4 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -373.943503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.943503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.943503 (E_RNA) where: Base-Base interactions energy: -150.312 where: short stacking energy: -113.210 Base-Backbone interact. energy: 0.970 local terms energy: -224.602197 where: bonds (distance) C4'-P energy: -65.123 bonds (distance) P-C4' energy: -63.345 flat angles C4'-P-C4' energy: -64.477 flat angles P-C4'-P energy: -31.302 tors. eta vs tors. theta energy: -0.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -350.421055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.421055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.421055 (E_RNA) where: Base-Base interactions energy: -112.236 where: short stacking energy: -77.263 Base-Backbone interact. energy: 1.293 local terms energy: -239.478481 where: bonds (distance) C4'-P energy: -68.608 bonds (distance) P-C4' energy: -69.134 flat angles C4'-P-C4' energy: -70.015 flat angles P-C4'-P energy: -42.403 tors. eta vs tors. theta energy: 10.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -1374.125836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.125836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.125836 (E_RNA) where: Base-Base interactions energy: -950.806 where: short stacking energy: -402.520 Base-Backbone interact. energy: 2.396 local terms energy: -425.715998 where: bonds (distance) C4'-P energy: -76.810 bonds (distance) P-C4' energy: -80.866 flat angles C4'-P-C4' energy: -88.959 flat angles P-C4'-P energy: -62.737 tors. eta vs tors. theta energy: -116.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -1336.066404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.066404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.066404 (E_RNA) where: Base-Base interactions energy: -886.413 where: short stacking energy: -400.955 Base-Backbone interact. energy: -0.651 local terms energy: -449.002347 where: bonds (distance) C4'-P energy: -88.588 bonds (distance) P-C4' energy: -84.666 flat angles C4'-P-C4' energy: -91.141 flat angles P-C4'-P energy: -63.573 tors. eta vs tors. theta energy: -121.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -1274.735326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.735326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.735326 (E_RNA) where: Base-Base interactions energy: -855.742 where: short stacking energy: -390.820 Base-Backbone interact. energy: -0.644 local terms energy: -418.349581 where: bonds (distance) C4'-P energy: -70.631 bonds (distance) P-C4' energy: -76.462 flat angles C4'-P-C4' energy: -90.677 flat angles P-C4'-P energy: -55.643 tors. eta vs tors. theta energy: -124.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -1204.247247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.247247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.247247 (E_RNA) where: Base-Base interactions energy: -834.086 where: short stacking energy: -358.666 Base-Backbone interact. energy: -0.958 local terms energy: -369.202837 where: bonds (distance) C4'-P energy: -69.987 bonds (distance) P-C4' energy: -80.371 flat angles C4'-P-C4' energy: -71.626 flat angles P-C4'-P energy: -45.823 tors. eta vs tors. theta energy: -101.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -1097.288391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.288391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.288391 (E_RNA) where: Base-Base interactions energy: -713.477 where: short stacking energy: -319.214 Base-Backbone interact. energy: 0.049 local terms energy: -383.860328 where: bonds (distance) C4'-P energy: -71.259 bonds (distance) P-C4' energy: -81.446 flat angles C4'-P-C4' energy: -83.773 flat angles P-C4'-P energy: -50.577 tors. eta vs tors. theta energy: -96.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -917.638533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.638533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.638533 (E_RNA) where: Base-Base interactions energy: -589.162 where: short stacking energy: -252.218 Base-Backbone interact. energy: 2.882 local terms energy: -331.358831 where: bonds (distance) C4'-P energy: -69.077 bonds (distance) P-C4' energy: -66.908 flat angles C4'-P-C4' energy: -83.992 flat angles P-C4'-P energy: -50.574 tors. eta vs tors. theta energy: -60.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -889.234909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.234909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.234909 (E_RNA) where: Base-Base interactions energy: -575.148 where: short stacking energy: -263.270 Base-Backbone interact. energy: -1.665 local terms energy: -312.422342 where: bonds (distance) C4'-P energy: -63.843 bonds (distance) P-C4' energy: -73.623 flat angles C4'-P-C4' energy: -72.582 flat angles P-C4'-P energy: -39.361 tors. eta vs tors. theta energy: -63.014 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: 5 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -764.146885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.146885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.146885 (E_RNA) where: Base-Base interactions energy: -498.760 where: short stacking energy: -240.946 Base-Backbone interact. energy: 4.354 local terms energy: -269.740332 where: bonds (distance) C4'-P energy: -70.422 bonds (distance) P-C4' energy: -59.076 flat angles C4'-P-C4' energy: -61.597 flat angles P-C4'-P energy: -28.891 tors. eta vs tors. theta energy: -49.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -355.495249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.495249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.495249 (E_RNA) where: Base-Base interactions energy: -133.525 where: short stacking energy: -122.050 Base-Backbone interact. energy: 0.477 local terms energy: -222.447056 where: bonds (distance) C4'-P energy: -51.987 bonds (distance) P-C4' energy: -64.718 flat angles C4'-P-C4' energy: -71.605 flat angles P-C4'-P energy: -40.076 tors. eta vs tors. theta energy: 5.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -336.853954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.853954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.853954 (E_RNA) where: Base-Base interactions energy: -127.868 where: short stacking energy: -102.604 Base-Backbone interact. energy: -1.131 local terms energy: -207.855170 where: bonds (distance) C4'-P energy: -53.680 bonds (distance) P-C4' energy: -77.339 flat angles C4'-P-C4' energy: -51.539 flat angles P-C4'-P energy: -32.984 tors. eta vs tors. theta energy: 7.687 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: 1, replica: 3 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -1390.087047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.087047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.087047 (E_RNA) where: Base-Base interactions energy: -967.655 where: short stacking energy: -413.110 Base-Backbone interact. energy: -0.206 local terms energy: -422.226036 where: bonds (distance) C4'-P energy: -81.464 bonds (distance) P-C4' energy: -75.425 flat angles C4'-P-C4' energy: -89.417 flat angles P-C4'-P energy: -57.315 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: 2, replica: 8 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -1345.930504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.930504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.930504 (E_RNA) where: Base-Base interactions energy: -909.913 where: short stacking energy: -427.687 Base-Backbone interact. energy: -0.922 local terms energy: -435.095307 where: bonds (distance) C4'-P energy: -72.017 bonds (distance) P-C4' energy: -72.647 flat angles C4'-P-C4' energy: -91.714 flat angles P-C4'-P energy: -61.629 tors. eta vs tors. theta energy: -137.089 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: 7 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -1308.935338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.935338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.935338 (E_RNA) where: Base-Base interactions energy: -889.054 where: short stacking energy: -408.483 Base-Backbone interact. energy: -0.350 local terms energy: -419.531037 where: bonds (distance) C4'-P energy: -76.325 bonds (distance) P-C4' energy: -76.224 flat angles C4'-P-C4' energy: -96.715 flat angles P-C4'-P energy: -49.392 tors. eta vs tors. theta energy: -120.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -1209.358056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.358056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.358056 (E_RNA) where: Base-Base interactions energy: -829.143 where: short stacking energy: -347.402 Base-Backbone interact. energy: -1.978 local terms energy: -378.236562 where: bonds (distance) C4'-P energy: -61.642 bonds (distance) P-C4' energy: -82.810 flat angles C4'-P-C4' energy: -79.420 flat angles P-C4'-P energy: -52.099 tors. eta vs tors. theta energy: -102.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -1050.747611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.747611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.747611 (E_RNA) where: Base-Base interactions energy: -707.052 where: short stacking energy: -288.792 Base-Backbone interact. energy: 0.309 local terms energy: -344.004689 where: bonds (distance) C4'-P energy: -71.281 bonds (distance) P-C4' energy: -58.628 flat angles C4'-P-C4' energy: -72.855 flat angles P-C4'-P energy: -54.156 tors. eta vs tors. theta energy: -87.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -958.051789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.051789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.051789 (E_RNA) where: Base-Base interactions energy: -614.370 where: short stacking energy: -270.804 Base-Backbone interact. energy: -1.025 local terms energy: -342.656340 where: bonds (distance) C4'-P energy: -74.369 bonds (distance) P-C4' energy: -72.934 flat angles C4'-P-C4' energy: -81.658 flat angles P-C4'-P energy: -51.693 tors. eta vs tors. theta energy: -62.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -875.026002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.026002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.026002 (E_RNA) where: Base-Base interactions energy: -552.875 where: short stacking energy: -259.693 Base-Backbone interact. energy: -1.914 local terms energy: -320.237312 where: bonds (distance) C4'-P energy: -65.420 bonds (distance) P-C4' energy: -73.527 flat angles C4'-P-C4' energy: -61.950 flat angles P-C4'-P energy: -53.847 tors. eta vs tors. theta energy: -65.493 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: 8, replica: 5 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -789.305873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.305873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.305873 (E_RNA) where: Base-Base interactions energy: -511.172 where: short stacking energy: -231.830 Base-Backbone interact. energy: 3.298 local terms energy: -281.431960 where: bonds (distance) C4'-P energy: -66.970 bonds (distance) P-C4' energy: -55.129 flat angles C4'-P-C4' energy: -74.887 flat angles P-C4'-P energy: -35.023 tors. eta vs tors. theta energy: -49.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -356.432134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.432134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.432134 (E_RNA) where: Base-Base interactions energy: -120.652 where: short stacking energy: -102.386 Base-Backbone interact. energy: 0.091 local terms energy: -235.870152 where: bonds (distance) C4'-P energy: -64.255 bonds (distance) P-C4' energy: -65.877 flat angles C4'-P-C4' energy: -66.678 flat angles P-C4'-P energy: -41.508 tors. eta vs tors. theta energy: 2.447 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: 4 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -336.696699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.696699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.696699 (E_RNA) where: Base-Base interactions energy: -114.701 where: short stacking energy: -102.412 Base-Backbone interact. energy: -1.331 local terms energy: -220.663834 where: bonds (distance) C4'-P energy: -68.257 bonds (distance) P-C4' energy: -73.190 flat angles C4'-P-C4' energy: -54.743 flat angles P-C4'-P energy: -35.419 tors. eta vs tors. theta energy: 10.945 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: 8 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -1391.910432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.910432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.910432 (E_RNA) where: Base-Base interactions energy: -923.096 where: short stacking energy: -421.913 Base-Backbone interact. energy: -0.774 local terms energy: -468.040598 where: bonds (distance) C4'-P energy: -86.570 bonds (distance) P-C4' energy: -77.897 flat angles C4'-P-C4' energy: -93.119 flat angles P-C4'-P energy: -72.885 tors. eta vs tors. theta energy: -137.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -1370.297619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.297619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.297619 (E_RNA) where: Base-Base interactions energy: -961.270 where: short stacking energy: -392.313 Base-Backbone interact. energy: 0.383 local terms energy: -409.411340 where: bonds (distance) C4'-P energy: -83.795 bonds (distance) P-C4' energy: -64.294 flat angles C4'-P-C4' energy: -84.749 flat angles P-C4'-P energy: -63.493 tors. eta vs tors. theta energy: -113.081 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: 3, replica: 7 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -1298.769812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.769812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.769812 (E_RNA) where: Base-Base interactions energy: -873.808 where: short stacking energy: -393.595 Base-Backbone interact. energy: -0.647 local terms energy: -424.314617 where: bonds (distance) C4'-P energy: -89.398 bonds (distance) P-C4' energy: -76.608 flat angles C4'-P-C4' energy: -87.302 flat angles P-C4'-P energy: -62.098 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: 4, replica: 9 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -1219.101199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.101199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.101199 (E_RNA) where: Base-Base interactions energy: -844.772 where: short stacking energy: -365.144 Base-Backbone interact. energy: -1.458 local terms energy: -372.871007 where: bonds (distance) C4'-P energy: -76.915 bonds (distance) P-C4' energy: -65.753 flat angles C4'-P-C4' energy: -75.795 flat angles P-C4'-P energy: -50.506 tors. eta vs tors. theta energy: -103.901 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: 1 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -1017.768561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.768561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.768561 (E_RNA) where: Base-Base interactions energy: -670.356 where: short stacking energy: -283.816 Base-Backbone interact. energy: -0.523 local terms energy: -346.890355 where: bonds (distance) C4'-P energy: -80.143 bonds (distance) P-C4' energy: -73.467 flat angles C4'-P-C4' energy: -72.956 flat angles P-C4'-P energy: -48.487 tors. eta vs tors. theta energy: -71.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -1006.282571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.282571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.282571 (E_RNA) where: Base-Base interactions energy: -656.834 where: short stacking energy: -299.667 Base-Backbone interact. energy: 2.474 local terms energy: -351.922447 where: bonds (distance) C4'-P energy: -66.741 bonds (distance) P-C4' energy: -71.859 flat angles C4'-P-C4' energy: -75.784 flat angles P-C4'-P energy: -57.122 tors. eta vs tors. theta energy: -80.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -892.766025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.766025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.766025 (E_RNA) where: Base-Base interactions energy: -558.502 where: short stacking energy: -267.711 Base-Backbone interact. energy: -1.181 local terms energy: -333.082605 where: bonds (distance) C4'-P energy: -54.979 bonds (distance) P-C4' energy: -71.563 flat angles C4'-P-C4' energy: -79.178 flat angles P-C4'-P energy: -55.944 tors. eta vs tors. theta energy: -71.419 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: 356 Temperature: 1.250000 Total energy: -815.788579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.788579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.788579 (E_RNA) where: Base-Base interactions energy: -513.412 where: short stacking energy: -240.744 Base-Backbone interact. energy: -2.449 local terms energy: -299.926985 where: bonds (distance) C4'-P energy: -65.776 bonds (distance) P-C4' energy: -60.887 flat angles C4'-P-C4' energy: -67.174 flat angles P-C4'-P energy: -41.075 tors. eta vs tors. theta energy: -65.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -354.174796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.174796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.174796 (E_RNA) where: Base-Base interactions energy: -117.944 where: short stacking energy: -102.485 Base-Backbone interact. energy: -0.754 local terms energy: -235.476361 where: bonds (distance) C4'-P energy: -62.537 bonds (distance) P-C4' energy: -77.034 flat angles C4'-P-C4' energy: -65.711 flat angles P-C4'-P energy: -34.340 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: 10, replica: 10 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -341.848166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.848166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.848166 (E_RNA) where: Base-Base interactions energy: -136.876 where: short stacking energy: -101.706 Base-Backbone interact. energy: -1.607 local terms energy: -203.365063 where: bonds (distance) C4'-P energy: -66.841 bonds (distance) P-C4' energy: -72.076 flat angles C4'-P-C4' energy: -57.691 flat angles P-C4'-P energy: -18.915 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: 1, replica: 8 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -1397.059505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.059505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.059505 (E_RNA) where: Base-Base interactions energy: -927.236 where: short stacking energy: -424.921 Base-Backbone interact. energy: -0.781 local terms energy: -469.042580 where: bonds (distance) C4'-P energy: -82.577 bonds (distance) P-C4' energy: -87.489 flat angles C4'-P-C4' energy: -96.478 flat angles P-C4'-P energy: -65.568 tors. eta vs tors. theta energy: -136.930 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: 3 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -1376.120616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.120616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.120616 (E_RNA) where: Base-Base interactions energy: -960.390 where: short stacking energy: -408.136 Base-Backbone interact. energy: -2.938 local terms energy: -412.793055 where: bonds (distance) C4'-P energy: -72.098 bonds (distance) P-C4' energy: -81.758 flat angles C4'-P-C4' energy: -84.498 flat angles P-C4'-P energy: -62.256 tors. eta vs tors. theta energy: -112.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -1292.230063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.230063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.230063 (E_RNA) where: Base-Base interactions energy: -861.282 where: short stacking energy: -378.807 Base-Backbone interact. energy: -0.722 local terms energy: -430.226092 where: bonds (distance) C4'-P energy: -80.580 bonds (distance) P-C4' energy: -78.310 flat angles C4'-P-C4' energy: -89.628 flat angles P-C4'-P energy: -55.450 tors. eta vs tors. theta energy: -126.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -1208.576976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.576976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.576976 (E_RNA) where: Base-Base interactions energy: -797.120 where: short stacking energy: -338.245 Base-Backbone interact. energy: -1.643 local terms energy: -409.813583 where: bonds (distance) C4'-P energy: -76.683 bonds (distance) P-C4' energy: -70.035 flat angles C4'-P-C4' energy: -94.374 flat angles P-C4'-P energy: -68.333 tors. eta vs tors. theta energy: -100.389 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: 1 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -1047.938945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.938945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.938945 (E_RNA) where: Base-Base interactions energy: -685.468 where: short stacking energy: -300.281 Base-Backbone interact. energy: -1.391 local terms energy: -361.079939 where: bonds (distance) C4'-P energy: -72.372 bonds (distance) P-C4' energy: -72.155 flat angles C4'-P-C4' energy: -84.729 flat angles P-C4'-P energy: -58.961 tors. eta vs tors. theta energy: -72.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -962.097718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.097718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.097718 (E_RNA) where: Base-Base interactions energy: -621.269 where: short stacking energy: -292.556 Base-Backbone interact. energy: 1.612 local terms energy: -342.441457 where: bonds (distance) C4'-P energy: -73.116 bonds (distance) P-C4' energy: -54.042 flat angles C4'-P-C4' energy: -84.584 flat angles P-C4'-P energy: -54.745 tors. eta vs tors. theta energy: -75.954 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: 7, replica: 2 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -894.079064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.079064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.079064 (E_RNA) where: Base-Base interactions energy: -582.981 where: short stacking energy: -267.063 Base-Backbone interact. energy: 1.508 local terms energy: -312.605286 where: bonds (distance) C4'-P energy: -64.646 bonds (distance) P-C4' energy: -76.458 flat angles C4'-P-C4' energy: -66.755 flat angles P-C4'-P energy: -47.186 tors. eta vs tors. theta energy: -57.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -804.904252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.904252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.904252 (E_RNA) where: Base-Base interactions energy: -498.619 where: short stacking energy: -247.229 Base-Backbone interact. energy: -0.348 local terms energy: -305.937106 where: bonds (distance) C4'-P energy: -69.676 bonds (distance) P-C4' energy: -75.959 flat angles C4'-P-C4' energy: -69.229 flat angles P-C4'-P energy: -39.308 tors. eta vs tors. theta energy: -51.765 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: 4 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -362.312742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.312742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.312742 (E_RNA) where: Base-Base interactions energy: -116.704 where: short stacking energy: -104.899 Base-Backbone interact. energy: -0.873 local terms energy: -244.734985 where: bonds (distance) C4'-P energy: -75.790 bonds (distance) P-C4' energy: -75.934 flat angles C4'-P-C4' energy: -59.019 flat angles P-C4'-P energy: -33.216 tors. eta vs tors. theta energy: -0.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -316.261589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.261589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.261589 (E_RNA) where: Base-Base interactions energy: -111.285 where: short stacking energy: -85.541 Base-Backbone interact. energy: 6.891 local terms energy: -211.867491 where: bonds (distance) C4'-P energy: -59.969 bonds (distance) P-C4' energy: -71.323 flat angles C4'-P-C4' energy: -56.049 flat angles P-C4'-P energy: -36.206 tors. eta vs tors. theta energy: 11.679 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: 8 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -1376.532955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.532955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.532955 (E_RNA) where: Base-Base interactions energy: -924.431 where: short stacking energy: -424.493 Base-Backbone interact. energy: -1.088 local terms energy: -451.014322 where: bonds (distance) C4'-P energy: -79.589 bonds (distance) P-C4' energy: -88.017 flat angles C4'-P-C4' energy: -94.748 flat angles P-C4'-P energy: -55.710 tors. eta vs tors. theta energy: -132.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -1403.926169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.926169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.926169 (E_RNA) where: Base-Base interactions energy: -987.943 where: short stacking energy: -423.685 Base-Backbone interact. energy: -4.221 local terms energy: -411.762362 where: bonds (distance) C4'-P energy: -67.058 bonds (distance) P-C4' energy: -77.147 flat angles C4'-P-C4' energy: -89.583 flat angles P-C4'-P energy: -62.814 tors. eta vs tors. theta energy: -115.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -1278.742601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.742601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.742601 (E_RNA) where: Base-Base interactions energy: -860.993 where: short stacking energy: -395.377 Base-Backbone interact. energy: -1.376 local terms energy: -416.373431 where: bonds (distance) C4'-P energy: -80.905 bonds (distance) P-C4' energy: -73.061 flat angles C4'-P-C4' energy: -88.513 flat angles P-C4'-P energy: -54.438 tors. eta vs tors. theta energy: -119.457 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: 4, replica: 9 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -1213.958230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.958230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.958230 (E_RNA) where: Base-Base interactions energy: -806.136 where: short stacking energy: -368.986 Base-Backbone interact. energy: -2.233 local terms energy: -405.588573 where: bonds (distance) C4'-P energy: -75.067 bonds (distance) P-C4' energy: -76.909 flat angles C4'-P-C4' energy: -92.970 flat angles P-C4'-P energy: -53.112 tors. eta vs tors. theta energy: -107.531 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: 1 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -1059.736993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.736993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.736993 (E_RNA) where: Base-Base interactions energy: -715.638 where: short stacking energy: -310.539 Base-Backbone interact. energy: 0.708 local terms energy: -344.806841 where: bonds (distance) C4'-P energy: -69.540 bonds (distance) P-C4' energy: -67.629 flat angles C4'-P-C4' energy: -82.503 flat angles P-C4'-P energy: -36.804 tors. eta vs tors. theta energy: -88.331 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: 6 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -897.878845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.878845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.878845 (E_RNA) where: Base-Base interactions energy: -572.490 where: short stacking energy: -251.784 Base-Backbone interact. energy: 0.885 local terms energy: -326.273454 where: bonds (distance) C4'-P energy: -63.036 bonds (distance) P-C4' energy: -78.282 flat angles C4'-P-C4' energy: -74.322 flat angles P-C4'-P energy: -50.840 tors. eta vs tors. theta energy: -59.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -814.361754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.361754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.361754 (E_RNA) where: Base-Base interactions energy: -517.675 where: short stacking energy: -234.925 Base-Backbone interact. energy: -1.870 local terms energy: -294.816609 where: bonds (distance) C4'-P energy: -78.401 bonds (distance) P-C4' energy: -75.038 flat angles C4'-P-C4' energy: -55.291 flat angles P-C4'-P energy: -38.207 tors. eta vs tors. theta energy: -47.880 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: 2 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -807.243311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.243311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.243311 (E_RNA) where: Base-Base interactions energy: -505.055 where: short stacking energy: -239.901 Base-Backbone interact. energy: 1.177 local terms energy: -303.365201 where: bonds (distance) C4'-P energy: -59.565 bonds (distance) P-C4' energy: -64.735 flat angles C4'-P-C4' energy: -71.015 flat angles P-C4'-P energy: -48.067 tors. eta vs tors. theta energy: -59.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -359.080184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.080184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.080184 (E_RNA) where: Base-Base interactions energy: -123.778 where: short stacking energy: -110.023 Base-Backbone interact. energy: -2.663 local terms energy: -232.639083 where: bonds (distance) C4'-P energy: -63.307 bonds (distance) P-C4' energy: -78.363 flat angles C4'-P-C4' energy: -51.652 flat angles P-C4'-P energy: -45.775 tors. eta vs tors. theta energy: 6.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -353.418208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.418208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.418208 (E_RNA) where: Base-Base interactions energy: -151.107 where: short stacking energy: -117.738 Base-Backbone interact. energy: 1.372 local terms energy: -203.682497 where: bonds (distance) C4'-P energy: -77.043 bonds (distance) P-C4' energy: -60.818 flat angles C4'-P-C4' energy: -64.057 flat angles P-C4'-P energy: -8.955 tors. eta vs tors. theta energy: 7.190 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: 8 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -1374.804531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.804531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.804531 (E_RNA) where: Base-Base interactions energy: -929.582 where: short stacking energy: -431.592 Base-Backbone interact. energy: -0.903 local terms energy: -444.319026 where: bonds (distance) C4'-P energy: -71.898 bonds (distance) P-C4' energy: -80.723 flat angles C4'-P-C4' energy: -96.176 flat angles P-C4'-P energy: -61.442 tors. eta vs tors. theta energy: -134.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -1386.403791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.403791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.403791 (E_RNA) where: Base-Base interactions energy: -961.326 where: short stacking energy: -400.542 Base-Backbone interact. energy: -0.145 local terms energy: -424.933245 where: bonds (distance) C4'-P energy: -79.663 bonds (distance) P-C4' energy: -69.917 flat angles C4'-P-C4' energy: -91.588 flat angles P-C4'-P energy: -64.221 tors. eta vs tors. theta energy: -119.545 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: 7 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -1289.332596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.332596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.332596 (E_RNA) where: Base-Base interactions energy: -863.711 where: short stacking energy: -385.097 Base-Backbone interact. energy: -1.489 local terms energy: -424.132415 where: bonds (distance) C4'-P energy: -69.472 bonds (distance) P-C4' energy: -79.147 flat angles C4'-P-C4' energy: -91.740 flat angles P-C4'-P energy: -66.435 tors. eta vs tors. theta energy: -117.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -1209.511702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.511702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.511702 (E_RNA) where: Base-Base interactions energy: -830.335 where: short stacking energy: -348.630 Base-Backbone interact. energy: -2.361 local terms energy: -376.815909 where: bonds (distance) C4'-P energy: -79.359 bonds (distance) P-C4' energy: -79.769 flat angles C4'-P-C4' energy: -64.206 flat angles P-C4'-P energy: -60.193 tors. eta vs tors. theta energy: -93.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -1086.641059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.641059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.641059 (E_RNA) where: Base-Base interactions energy: -721.956 where: short stacking energy: -316.867 Base-Backbone interact. energy: -1.382 local terms energy: -363.302693 where: bonds (distance) C4'-P energy: -72.893 bonds (distance) P-C4' energy: -76.152 flat angles C4'-P-C4' energy: -84.198 flat angles P-C4'-P energy: -44.845 tors. eta vs tors. theta energy: -85.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -923.277738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.277738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.277738 (E_RNA) where: Base-Base interactions energy: -590.181 where: short stacking energy: -276.529 Base-Backbone interact. energy: -1.507 local terms energy: -331.590024 where: bonds (distance) C4'-P energy: -57.072 bonds (distance) P-C4' energy: -75.901 flat angles C4'-P-C4' energy: -68.685 flat angles P-C4'-P energy: -49.059 tors. eta vs tors. theta energy: -80.872 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: 7, replica: 6 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -900.444061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.444061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.444061 (E_RNA) where: Base-Base interactions energy: -565.569 where: short stacking energy: -250.841 Base-Backbone interact. energy: -1.366 local terms energy: -333.508513 where: bonds (distance) C4'-P energy: -75.227 bonds (distance) P-C4' energy: -88.150 flat angles C4'-P-C4' energy: -70.024 flat angles P-C4'-P energy: -35.811 tors. eta vs tors. theta energy: -64.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -744.730280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.730280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.730280 (E_RNA) where: Base-Base interactions energy: -466.455 where: short stacking energy: -202.530 Base-Backbone interact. energy: 1.496 local terms energy: -279.771625 where: bonds (distance) C4'-P energy: -65.345 bonds (distance) P-C4' energy: -56.490 flat angles C4'-P-C4' energy: -77.073 flat angles P-C4'-P energy: -42.066 tors. eta vs tors. theta energy: -38.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -358.403930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.403930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.403930 (E_RNA) where: Base-Base interactions energy: -139.502 where: short stacking energy: -112.904 Base-Backbone interact. energy: -0.889 local terms energy: -218.012538 where: bonds (distance) C4'-P energy: -66.083 bonds (distance) P-C4' energy: -72.214 flat angles C4'-P-C4' energy: -57.779 flat angles P-C4'-P energy: -29.604 tors. eta vs tors. theta energy: 7.668 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: 10 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -364.930294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.930294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.930294 (E_RNA) where: Base-Base interactions energy: -146.545 where: short stacking energy: -106.147 Base-Backbone interact. energy: -1.505 local terms energy: -216.880329 where: bonds (distance) C4'-P energy: -65.288 bonds (distance) P-C4' energy: -68.616 flat angles C4'-P-C4' energy: -54.878 flat angles P-C4'-P energy: -38.344 tors. eta vs tors. theta energy: 10.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -1386.717405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.717405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.717405 (E_RNA) where: Base-Base interactions energy: -976.786 where: short stacking energy: -372.891 Base-Backbone interact. energy: 2.376 local terms energy: -412.307390 where: bonds (distance) C4'-P energy: -77.424 bonds (distance) P-C4' energy: -75.081 flat angles C4'-P-C4' energy: -84.803 flat angles P-C4'-P energy: -66.307 tors. eta vs tors. theta energy: -108.693 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: 2, replica: 8 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -1365.369926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.369926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.369926 (E_RNA) where: Base-Base interactions energy: -912.227 where: short stacking energy: -438.224 Base-Backbone interact. energy: -1.123 local terms energy: -452.019304 where: bonds (distance) C4'-P energy: -80.986 bonds (distance) P-C4' energy: -71.612 flat angles C4'-P-C4' energy: -92.577 flat angles P-C4'-P energy: -64.047 tors. eta vs tors. theta energy: -142.798 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: 7 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -1314.367576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.367576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.367576 (E_RNA) where: Base-Base interactions energy: -874.937 where: short stacking energy: -394.297 Base-Backbone interact. energy: -0.880 local terms energy: -438.549745 where: bonds (distance) C4'-P energy: -80.175 bonds (distance) P-C4' energy: -80.460 flat angles C4'-P-C4' energy: -90.566 flat angles P-C4'-P energy: -69.882 tors. eta vs tors. theta energy: -117.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -1236.905461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.905461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.905461 (E_RNA) where: Base-Base interactions energy: -858.103 where: short stacking energy: -370.324 Base-Backbone interact. energy: -1.159 local terms energy: -377.643373 where: bonds (distance) C4'-P energy: -59.608 bonds (distance) P-C4' energy: -69.264 flat angles C4'-P-C4' energy: -84.908 flat angles P-C4'-P energy: -57.299 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: 5, replica: 1 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -1024.383824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.383824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.383824 (E_RNA) where: Base-Base interactions energy: -687.210 where: short stacking energy: -311.040 Base-Backbone interact. energy: -0.449 local terms energy: -336.725321 where: bonds (distance) C4'-P energy: -55.327 bonds (distance) P-C4' energy: -69.421 flat angles C4'-P-C4' energy: -79.742 flat angles P-C4'-P energy: -52.410 tors. eta vs tors. theta energy: -79.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -893.891786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.891786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.891786 (E_RNA) where: Base-Base interactions energy: -563.362 where: short stacking energy: -247.081 Base-Backbone interact. energy: 1.156 local terms energy: -331.686300 where: bonds (distance) C4'-P energy: -69.073 bonds (distance) P-C4' energy: -73.812 flat angles C4'-P-C4' energy: -80.475 flat angles P-C4'-P energy: -49.950 tors. eta vs tors. theta energy: -58.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -867.272861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.272861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.272861 (E_RNA) where: Base-Base interactions energy: -556.034 where: short stacking energy: -258.719 Base-Backbone interact. energy: -2.206 local terms energy: -309.032596 where: bonds (distance) C4'-P energy: -66.533 bonds (distance) P-C4' energy: -77.673 flat angles C4'-P-C4' energy: -70.004 flat angles P-C4'-P energy: -39.769 tors. eta vs tors. theta energy: -55.054 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: 2 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -732.214355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.214355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.214355 (E_RNA) where: Base-Base interactions energy: -427.597 where: short stacking energy: -211.852 Base-Backbone interact. energy: -2.928 local terms energy: -301.689253 where: bonds (distance) C4'-P energy: -58.298 bonds (distance) P-C4' energy: -86.151 flat angles C4'-P-C4' energy: -70.484 flat angles P-C4'-P energy: -41.402 tors. eta vs tors. theta energy: -45.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -380.281754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.281754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.281754 (E_RNA) where: Base-Base interactions energy: -149.220 where: short stacking energy: -119.581 Base-Backbone interact. energy: 1.165 local terms energy: -232.227312 where: bonds (distance) C4'-P energy: -59.904 bonds (distance) P-C4' energy: -83.468 flat angles C4'-P-C4' energy: -53.123 flat angles P-C4'-P energy: -32.745 tors. eta vs tors. theta energy: -2.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -342.529254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.529254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.529254 (E_RNA) where: Base-Base interactions energy: -119.472 where: short stacking energy: -99.960 Base-Backbone interact. energy: 0.000 local terms energy: -223.057479 where: bonds (distance) C4'-P energy: -63.136 bonds (distance) P-C4' energy: -70.162 flat angles C4'-P-C4' energy: -57.678 flat angles P-C4'-P energy: -41.860 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: 3 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -1402.435151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.435151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.435151 (E_RNA) where: Base-Base interactions energy: -979.018 where: short stacking energy: -390.243 Base-Backbone interact. energy: -3.664 local terms energy: -419.753087 where: bonds (distance) C4'-P energy: -71.886 bonds (distance) P-C4' energy: -82.698 flat angles C4'-P-C4' energy: -91.198 flat angles P-C4'-P energy: -60.832 tors. eta vs tors. theta energy: -113.138 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: 8 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -1340.215878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.215878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.215878 (E_RNA) where: Base-Base interactions energy: -900.158 where: short stacking energy: -401.527 Base-Backbone interact. energy: -1.131 local terms energy: -438.926895 where: bonds (distance) C4'-P energy: -88.699 bonds (distance) P-C4' energy: -69.674 flat angles C4'-P-C4' energy: -89.404 flat angles P-C4'-P energy: -67.402 tors. eta vs tors. theta energy: -123.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -1325.491748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.491748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.491748 (E_RNA) where: Base-Base interactions energy: -890.366 where: short stacking energy: -383.313 Base-Backbone interact. energy: 0.351 local terms energy: -435.477107 where: bonds (distance) C4'-P energy: -84.970 bonds (distance) P-C4' energy: -68.996 flat angles C4'-P-C4' energy: -87.923 flat angles P-C4'-P energy: -65.068 tors. eta vs tors. theta energy: -128.521 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: 9 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -1215.876169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.876169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.876169 (E_RNA) where: Base-Base interactions energy: -846.021 where: short stacking energy: -346.741 Base-Backbone interact. energy: -0.712 local terms energy: -369.142764 where: bonds (distance) C4'-P energy: -66.673 bonds (distance) P-C4' energy: -75.351 flat angles C4'-P-C4' energy: -73.346 flat angles P-C4'-P energy: -52.406 tors. eta vs tors. theta energy: -101.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -1075.000414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.000414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.000414 (E_RNA) where: Base-Base interactions energy: -710.253 where: short stacking energy: -317.676 Base-Backbone interact. energy: -0.643 local terms energy: -364.104649 where: bonds (distance) C4'-P energy: -81.377 bonds (distance) P-C4' energy: -76.031 flat angles C4'-P-C4' energy: -71.757 flat angles P-C4'-P energy: -46.908 tors. eta vs tors. theta energy: -88.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -903.251655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.251655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.251655 (E_RNA) where: Base-Base interactions energy: -563.588 where: short stacking energy: -246.490 Base-Backbone interact. energy: -1.855 local terms energy: -337.809325 where: bonds (distance) C4'-P energy: -74.377 bonds (distance) P-C4' energy: -80.670 flat angles C4'-P-C4' energy: -81.592 flat angles P-C4'-P energy: -40.479 tors. eta vs tors. theta energy: -60.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -870.221354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.221354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.221354 (E_RNA) where: Base-Base interactions energy: -548.456 where: short stacking energy: -244.594 Base-Backbone interact. energy: -3.411 local terms energy: -318.355007 where: bonds (distance) C4'-P energy: -68.339 bonds (distance) P-C4' energy: -75.091 flat angles C4'-P-C4' energy: -72.137 flat angles P-C4'-P energy: -50.017 tors. eta vs tors. theta energy: -52.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -735.809325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.809325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.809325 (E_RNA) where: Base-Base interactions energy: -460.056 where: short stacking energy: -213.237 Base-Backbone interact. energy: 0.686 local terms energy: -276.439110 where: bonds (distance) C4'-P energy: -58.993 bonds (distance) P-C4' energy: -82.812 flat angles C4'-P-C4' energy: -59.778 flat angles P-C4'-P energy: -40.408 tors. eta vs tors. theta energy: -34.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -352.781273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.781273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.781273 (E_RNA) where: Base-Base interactions energy: -121.314 where: short stacking energy: -85.432 Base-Backbone interact. energy: -0.852 local terms energy: -230.615831 where: bonds (distance) C4'-P energy: -69.438 bonds (distance) P-C4' energy: -63.357 flat angles C4'-P-C4' energy: -68.396 flat angles P-C4'-P energy: -42.077 tors. eta vs tors. theta energy: 12.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -339.356306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.356306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.356306 (E_RNA) where: Base-Base interactions energy: -148.453 where: short stacking energy: -105.061 Base-Backbone interact. energy: 1.880 local terms energy: -192.782733 where: bonds (distance) C4'-P energy: -60.926 bonds (distance) P-C4' energy: -60.136 flat angles C4'-P-C4' energy: -52.211 flat angles P-C4'-P energy: -21.176 tors. eta vs tors. theta energy: 1.666 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: 8 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -1375.548319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.548319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.548319 (E_RNA) where: Base-Base interactions energy: -927.029 where: short stacking energy: -429.191 Base-Backbone interact. energy: -1.179 local terms energy: -447.340871 where: bonds (distance) C4'-P energy: -76.895 bonds (distance) P-C4' energy: -82.760 flat angles C4'-P-C4' energy: -90.495 flat angles P-C4'-P energy: -67.089 tors. eta vs tors. theta energy: -130.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -1371.174381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.174381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.174381 (E_RNA) where: Base-Base interactions energy: -963.163 where: short stacking energy: -401.154 Base-Backbone interact. energy: 2.181 local terms energy: -410.192948 where: bonds (distance) C4'-P energy: -82.098 bonds (distance) P-C4' energy: -88.839 flat angles C4'-P-C4' energy: -80.404 flat angles P-C4'-P energy: -47.825 tors. eta vs tors. theta energy: -111.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -1303.456015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.456015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.456015 (E_RNA) where: Base-Base interactions energy: -888.768 where: short stacking energy: -395.110 Base-Backbone interact. energy: -0.550 local terms energy: -414.138601 where: bonds (distance) C4'-P energy: -86.997 bonds (distance) P-C4' energy: -64.730 flat angles C4'-P-C4' energy: -95.296 flat angles P-C4'-P energy: -55.060 tors. eta vs tors. theta energy: -112.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -1228.596440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.596440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.596440 (E_RNA) where: Base-Base interactions energy: -832.229 where: short stacking energy: -360.437 Base-Backbone interact. energy: -0.467 local terms energy: -395.900023 where: bonds (distance) C4'-P energy: -73.570 bonds (distance) P-C4' energy: -80.140 flat angles C4'-P-C4' energy: -82.228 flat angles P-C4'-P energy: -54.587 tors. eta vs tors. theta energy: -105.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -1088.073399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.073399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.073399 (E_RNA) where: Base-Base interactions energy: -717.490 where: short stacking energy: -319.944 Base-Backbone interact. energy: -3.350 local terms energy: -367.234108 where: bonds (distance) C4'-P energy: -69.354 bonds (distance) P-C4' energy: -81.164 flat angles C4'-P-C4' energy: -80.927 flat angles P-C4'-P energy: -54.506 tors. eta vs tors. theta energy: -81.283 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: 6, replica: 5 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -876.481966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.481966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.481966 (E_RNA) where: Base-Base interactions energy: -566.430 where: short stacking energy: -245.951 Base-Backbone interact. energy: -1.001 local terms energy: -309.050897 where: bonds (distance) C4'-P energy: -75.428 bonds (distance) P-C4' energy: -68.606 flat angles C4'-P-C4' energy: -78.825 flat angles P-C4'-P energy: -40.019 tors. eta vs tors. theta energy: -46.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -899.730467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.730467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.730467 (E_RNA) where: Base-Base interactions energy: -565.150 where: short stacking energy: -266.311 Base-Backbone interact. energy: 0.572 local terms energy: -335.152615 where: bonds (distance) C4'-P energy: -68.303 bonds (distance) P-C4' energy: -65.033 flat angles C4'-P-C4' energy: -83.134 flat angles P-C4'-P energy: -51.129 tors. eta vs tors. theta energy: -67.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -777.995982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.995982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.995982 (E_RNA) where: Base-Base interactions energy: -472.782 where: short stacking energy: -217.024 Base-Backbone interact. energy: -2.413 local terms energy: -302.801395 where: bonds (distance) C4'-P energy: -69.619 bonds (distance) P-C4' energy: -78.378 flat angles C4'-P-C4' energy: -61.912 flat angles P-C4'-P energy: -41.453 tors. eta vs tors. theta energy: -51.440 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: 362 Temperature: 1.300000 Total energy: -365.447284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.447284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.447284 (E_RNA) where: Base-Base interactions energy: -131.676 where: short stacking energy: -85.591 Base-Backbone interact. energy: 0.408 local terms energy: -234.178616 where: bonds (distance) C4'-P energy: -57.910 bonds (distance) P-C4' energy: -78.709 flat angles C4'-P-C4' energy: -53.353 flat angles P-C4'-P energy: -49.400 tors. eta vs tors. theta energy: 5.193 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: 4 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -340.015518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.015518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.015518 (E_RNA) where: Base-Base interactions energy: -125.889 where: short stacking energy: -85.793 Base-Backbone interact. energy: 0.171 local terms energy: -214.297078 where: bonds (distance) C4'-P energy: -67.640 bonds (distance) P-C4' energy: -66.734 flat angles C4'-P-C4' energy: -64.803 flat angles P-C4'-P energy: -30.385 tors. eta vs tors. theta energy: 15.265 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: 8 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -1374.289754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.289754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.289754 (E_RNA) where: Base-Base interactions energy: -914.244 where: short stacking energy: -425.646 Base-Backbone interact. energy: -0.185 local terms energy: -459.860592 where: bonds (distance) C4'-P energy: -75.884 bonds (distance) P-C4' energy: -86.519 flat angles C4'-P-C4' energy: -89.414 flat angles P-C4'-P energy: -73.686 tors. eta vs tors. theta energy: -134.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -1373.279079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.279079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.279079 (E_RNA) where: Base-Base interactions energy: -961.160 where: short stacking energy: -392.351 Base-Backbone interact. energy: -5.363 local terms energy: -406.755855 where: bonds (distance) C4'-P energy: -73.458 bonds (distance) P-C4' energy: -66.596 flat angles C4'-P-C4' energy: -101.221 flat angles P-C4'-P energy: -56.115 tors. eta vs tors. theta energy: -109.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -1281.922210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.922210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.922210 (E_RNA) where: Base-Base interactions energy: -860.974 where: short stacking energy: -370.318 Base-Backbone interact. energy: -1.109 local terms energy: -419.839696 where: bonds (distance) C4'-P energy: -74.991 bonds (distance) P-C4' energy: -77.451 flat angles C4'-P-C4' energy: -85.308 flat angles P-C4'-P energy: -63.840 tors. eta vs tors. theta energy: -118.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -1261.144956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.144956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.144956 (E_RNA) where: Base-Base interactions energy: -868.810 where: short stacking energy: -386.066 Base-Backbone interact. energy: -1.059 local terms energy: -391.275963 where: bonds (distance) C4'-P energy: -67.786 bonds (distance) P-C4' energy: -76.031 flat angles C4'-P-C4' energy: -83.554 flat angles P-C4'-P energy: -52.324 tors. eta vs tors. theta energy: -111.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -1062.645906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.645906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.645906 (E_RNA) where: Base-Base interactions energy: -709.392 where: short stacking energy: -314.357 Base-Backbone interact. energy: -1.800 local terms energy: -351.454233 where: bonds (distance) C4'-P energy: -76.634 bonds (distance) P-C4' energy: -69.159 flat angles C4'-P-C4' energy: -67.739 flat angles P-C4'-P energy: -56.042 tors. eta vs tors. theta energy: -81.881 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: 5 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -942.230621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.230621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.230621 (E_RNA) where: Base-Base interactions energy: -645.160 where: short stacking energy: -280.300 Base-Backbone interact. energy: -2.185 local terms energy: -294.885714 where: bonds (distance) C4'-P energy: -59.051 bonds (distance) P-C4' energy: -70.808 flat angles C4'-P-C4' energy: -78.281 flat angles P-C4'-P energy: -20.706 tors. eta vs tors. theta energy: -66.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -886.997469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.997469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.997469 (E_RNA) where: Base-Base interactions energy: -573.023 where: short stacking energy: -239.252 Base-Backbone interact. energy: -1.238 local terms energy: -312.737116 where: bonds (distance) C4'-P energy: -62.042 bonds (distance) P-C4' energy: -75.404 flat angles C4'-P-C4' energy: -77.170 flat angles P-C4'-P energy: -47.918 tors. eta vs tors. theta energy: -50.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -825.227231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.227231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.227231 (E_RNA) where: Base-Base interactions energy: -517.751 where: short stacking energy: -242.479 Base-Backbone interact. energy: -1.662 local terms energy: -305.814761 where: bonds (distance) C4'-P energy: -67.831 bonds (distance) P-C4' energy: -61.802 flat angles C4'-P-C4' energy: -74.953 flat angles P-C4'-P energy: -44.327 tors. eta vs tors. theta energy: -56.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -356.234965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.234965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.234965 (E_RNA) where: Base-Base interactions energy: -110.712 where: short stacking energy: -86.637 Base-Backbone interact. energy: -2.341 local terms energy: -243.181569 where: bonds (distance) C4'-P energy: -66.025 bonds (distance) P-C4' energy: -89.277 flat angles C4'-P-C4' energy: -52.380 flat angles P-C4'-P energy: -46.771 tors. eta vs tors. theta energy: 11.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -329.122447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.122447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.122447 (E_RNA) where: Base-Base interactions energy: -123.733 where: short stacking energy: -111.805 Base-Backbone interact. energy: 0.735 local terms energy: -206.124346 where: bonds (distance) C4'-P energy: -55.697 bonds (distance) P-C4' energy: -80.080 flat angles C4'-P-C4' energy: -43.005 flat angles P-C4'-P energy: -36.638 tors. eta vs tors. theta energy: 9.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -1373.043795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.043795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.043795 (E_RNA) where: Base-Base interactions energy: -919.952 where: short stacking energy: -426.592 Base-Backbone interact. energy: -0.313 local terms energy: -452.779390 where: bonds (distance) C4'-P energy: -80.950 bonds (distance) P-C4' energy: -81.824 flat angles C4'-P-C4' energy: -92.702 flat angles P-C4'-P energy: -65.946 tors. eta vs tors. theta energy: -131.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -1367.287872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.287872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.287872 (E_RNA) where: Base-Base interactions energy: -946.835 where: short stacking energy: -390.497 Base-Backbone interact. energy: -2.898 local terms energy: -417.554613 where: bonds (distance) C4'-P energy: -78.764 bonds (distance) P-C4' energy: -80.407 flat angles C4'-P-C4' energy: -92.574 flat angles P-C4'-P energy: -54.860 tors. eta vs tors. theta energy: -110.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -1285.480971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.480971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.480971 (E_RNA) where: Base-Base interactions energy: -872.937 where: short stacking energy: -388.604 Base-Backbone interact. energy: -1.212 local terms energy: -411.332388 where: bonds (distance) C4'-P energy: -77.767 bonds (distance) P-C4' energy: -68.416 flat angles C4'-P-C4' energy: -87.060 flat angles P-C4'-P energy: -58.704 tors. eta vs tors. theta energy: -119.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -1234.893963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.893963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.893963 (E_RNA) where: Base-Base interactions energy: -836.224 where: short stacking energy: -343.071 Base-Backbone interact. energy: -0.442 local terms energy: -398.227925 where: bonds (distance) C4'-P energy: -69.537 bonds (distance) P-C4' energy: -83.692 flat angles C4'-P-C4' energy: -81.704 flat angles P-C4'-P energy: -57.461 tors. eta vs tors. theta energy: -105.833 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: 1 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -1029.773200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.773200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.773200 (E_RNA) where: Base-Base interactions energy: -677.238 where: short stacking energy: -289.400 Base-Backbone interact. energy: -0.671 local terms energy: -351.863769 where: bonds (distance) C4'-P energy: -70.584 bonds (distance) P-C4' energy: -79.060 flat angles C4'-P-C4' energy: -76.857 flat angles P-C4'-P energy: -45.116 tors. eta vs tors. theta energy: -80.247 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: 5 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -933.048395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.048395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.048395 (E_RNA) where: Base-Base interactions energy: -593.103 where: short stacking energy: -244.754 Base-Backbone interact. energy: -1.566 local terms energy: -338.379269 where: bonds (distance) C4'-P energy: -64.310 bonds (distance) P-C4' energy: -78.504 flat angles C4'-P-C4' energy: -74.205 flat angles P-C4'-P energy: -53.211 tors. eta vs tors. theta energy: -68.149 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: 364 Temperature: 1.200000 Total energy: -902.136330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.136330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.136330 (E_RNA) where: Base-Base interactions energy: -566.614 where: short stacking energy: -264.870 Base-Backbone interact. energy: -0.920 local terms energy: -334.602313 where: bonds (distance) C4'-P energy: -78.487 bonds (distance) P-C4' energy: -58.711 flat angles C4'-P-C4' energy: -86.108 flat angles P-C4'-P energy: -53.511 tors. eta vs tors. theta energy: -57.785 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: 8, replica: 2 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -721.638758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.638758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.638758 (E_RNA) where: Base-Base interactions energy: -440.817 where: short stacking energy: -208.681 Base-Backbone interact. energy: 0.334 local terms energy: -281.156198 where: bonds (distance) C4'-P energy: -70.589 bonds (distance) P-C4' energy: -64.451 flat angles C4'-P-C4' energy: -60.820 flat angles P-C4'-P energy: -50.360 tors. eta vs tors. theta energy: -34.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -361.856220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.856220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.856220 (E_RNA) where: Base-Base interactions energy: -128.609 where: short stacking energy: -104.438 Base-Backbone interact. energy: -1.036 local terms energy: -232.211590 where: bonds (distance) C4'-P energy: -72.045 bonds (distance) P-C4' energy: -73.718 flat angles C4'-P-C4' energy: -62.219 flat angles P-C4'-P energy: -30.043 tors. eta vs tors. theta energy: 5.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -347.368742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.368742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.368742 (E_RNA) where: Base-Base interactions energy: -151.814 where: short stacking energy: -100.740 Base-Backbone interact. energy: 1.547 local terms energy: -197.101462 where: bonds (distance) C4'-P energy: -53.930 bonds (distance) P-C4' energy: -71.716 flat angles C4'-P-C4' energy: -57.086 flat angles P-C4'-P energy: -28.647 tors. eta vs tors. theta energy: 14.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -1360.410584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.410584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.410584 (E_RNA) where: Base-Base interactions energy: -919.069 where: short stacking energy: -419.982 Base-Backbone interact. energy: -1.260 local terms energy: -440.081430 where: bonds (distance) C4'-P energy: -77.965 bonds (distance) P-C4' energy: -85.639 flat angles C4'-P-C4' energy: -87.443 flat angles P-C4'-P energy: -59.462 tors. eta vs tors. theta energy: -129.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -1364.269663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.269663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.269663 (E_RNA) where: Base-Base interactions energy: -941.392 where: short stacking energy: -399.147 Base-Backbone interact. energy: -2.695 local terms energy: -420.182106 where: bonds (distance) C4'-P energy: -85.292 bonds (distance) P-C4' energy: -74.288 flat angles C4'-P-C4' energy: -94.184 flat angles P-C4'-P energy: -55.788 tors. eta vs tors. theta energy: -110.630 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: 9 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -1256.810096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.810096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.810096 (E_RNA) where: Base-Base interactions energy: -871.772 where: short stacking energy: -387.053 Base-Backbone interact. energy: -2.699 local terms energy: -382.339221 where: bonds (distance) C4'-P energy: -76.007 bonds (distance) P-C4' energy: -68.664 flat angles C4'-P-C4' energy: -75.995 flat angles P-C4'-P energy: -53.306 tors. eta vs tors. theta energy: -108.368 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: 365 Temperature: 1.050000 Total energy: -1277.844192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.844192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.844192 (E_RNA) where: Base-Base interactions energy: -859.407 where: short stacking energy: -367.750 Base-Backbone interact. energy: -0.350 local terms energy: -418.087325 where: bonds (distance) C4'-P energy: -79.655 bonds (distance) P-C4' energy: -76.601 flat angles C4'-P-C4' energy: -81.972 flat angles P-C4'-P energy: -64.314 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: 5, replica: 1 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -1038.677855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.677855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.677855 (E_RNA) where: Base-Base interactions energy: -693.497 where: short stacking energy: -291.613 Base-Backbone interact. energy: -0.901 local terms energy: -344.279831 where: bonds (distance) C4'-P energy: -62.655 bonds (distance) P-C4' energy: -80.626 flat angles C4'-P-C4' energy: -81.743 flat angles P-C4'-P energy: -46.544 tors. eta vs tors. theta energy: -72.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -993.719890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.719890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.719890 (E_RNA) where: Base-Base interactions energy: -651.779 where: short stacking energy: -295.270 Base-Backbone interact. energy: -1.666 local terms energy: -340.275133 where: bonds (distance) C4'-P energy: -64.922 bonds (distance) P-C4' energy: -62.752 flat angles C4'-P-C4' energy: -83.545 flat angles P-C4'-P energy: -47.855 tors. eta vs tors. theta energy: -81.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -880.396547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.396547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.396547 (E_RNA) where: Base-Base interactions energy: -553.787 where: short stacking energy: -256.365 Base-Backbone interact. energy: -1.810 local terms energy: -324.798944 where: bonds (distance) C4'-P energy: -75.668 bonds (distance) P-C4' energy: -71.145 flat angles C4'-P-C4' energy: -73.727 flat angles P-C4'-P energy: -42.135 tors. eta vs tors. theta energy: -62.124 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: 2 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -713.206623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.206623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.206623 (E_RNA) where: Base-Base interactions energy: -415.771 where: short stacking energy: -198.337 Base-Backbone interact. energy: -0.714 local terms energy: -296.721698 where: bonds (distance) C4'-P energy: -77.725 bonds (distance) P-C4' energy: -73.471 flat angles C4'-P-C4' energy: -73.736 flat angles P-C4'-P energy: -35.877 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: 4 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -342.023894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.023894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.023894 (E_RNA) where: Base-Base interactions energy: -112.509 where: short stacking energy: -99.928 Base-Backbone interact. energy: -0.503 local terms energy: -229.011507 where: bonds (distance) C4'-P energy: -63.957 bonds (distance) P-C4' energy: -76.117 flat angles C4'-P-C4' energy: -60.673 flat angles P-C4'-P energy: -36.941 tors. eta vs tors. theta energy: 8.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -345.419153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.419153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.419153 (E_RNA) where: Base-Base interactions energy: -112.174 where: short stacking energy: -95.999 Base-Backbone interact. energy: 1.043 local terms energy: -234.288333 where: bonds (distance) C4'-P energy: -56.777 bonds (distance) P-C4' energy: -72.954 flat angles C4'-P-C4' energy: -65.677 flat angles P-C4'-P energy: -46.627 tors. eta vs tors. theta energy: 7.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -1395.688541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.688541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.688541 (E_RNA) where: Base-Base interactions energy: -967.917 where: short stacking energy: -399.363 Base-Backbone interact. energy: 3.713 local terms energy: -431.483696 where: bonds (distance) C4'-P energy: -83.066 bonds (distance) P-C4' energy: -87.134 flat angles C4'-P-C4' energy: -94.065 flat angles P-C4'-P energy: -53.625 tors. eta vs tors. theta energy: -113.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -1373.791055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.791055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.791055 (E_RNA) where: Base-Base interactions energy: -921.315 where: short stacking energy: -420.795 Base-Backbone interact. energy: -0.968 local terms energy: -451.508413 where: bonds (distance) C4'-P energy: -76.331 bonds (distance) P-C4' energy: -87.768 flat angles C4'-P-C4' energy: -88.875 flat angles P-C4'-P energy: -64.255 tors. eta vs tors. theta energy: -134.279 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: 3, replica: 9 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -1274.971468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.971468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.971468 (E_RNA) where: Base-Base interactions energy: -866.244 where: short stacking energy: -371.392 Base-Backbone interact. energy: -1.251 local terms energy: -407.477040 where: bonds (distance) C4'-P energy: -75.009 bonds (distance) P-C4' energy: -72.957 flat angles C4'-P-C4' energy: -81.300 flat angles P-C4'-P energy: -68.671 tors. eta vs tors. theta energy: -109.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -1267.264090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.264090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.264090 (E_RNA) where: Base-Base interactions energy: -842.353 where: short stacking energy: -365.948 Base-Backbone interact. energy: -0.128 local terms energy: -424.783742 where: bonds (distance) C4'-P energy: -69.909 bonds (distance) P-C4' energy: -80.087 flat angles C4'-P-C4' energy: -89.466 flat angles P-C4'-P energy: -60.608 tors. eta vs tors. theta energy: -124.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -1069.058956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.058956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.058956 (E_RNA) where: Base-Base interactions energy: -705.295 where: short stacking energy: -319.356 Base-Backbone interact. energy: -1.322 local terms energy: -362.442061 where: bonds (distance) C4'-P energy: -68.697 bonds (distance) P-C4' energy: -75.549 flat angles C4'-P-C4' energy: -84.116 flat angles P-C4'-P energy: -51.050 tors. eta vs tors. theta energy: -83.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -953.462081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.462081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.462081 (E_RNA) where: Base-Base interactions energy: -596.876 where: short stacking energy: -265.320 Base-Backbone interact. energy: -1.276 local terms energy: -355.309861 where: bonds (distance) C4'-P energy: -74.936 bonds (distance) P-C4' energy: -73.361 flat angles C4'-P-C4' energy: -78.577 flat angles P-C4'-P energy: -53.666 tors. eta vs tors. theta energy: -74.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -905.385284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.385284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.385284 (E_RNA) where: Base-Base interactions energy: -567.310 where: short stacking energy: -258.083 Base-Backbone interact. energy: 3.304 local terms energy: -341.379616 where: bonds (distance) C4'-P energy: -62.610 bonds (distance) P-C4' energy: -75.527 flat angles C4'-P-C4' energy: -75.374 flat angles P-C4'-P energy: -56.071 tors. eta vs tors. theta energy: -71.798 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: 2 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -691.547173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.547173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.547173 (E_RNA) where: Base-Base interactions energy: -401.905 where: short stacking energy: -187.901 Base-Backbone interact. energy: 2.709 local terms energy: -292.351070 where: bonds (distance) C4'-P energy: -71.604 bonds (distance) P-C4' energy: -64.118 flat angles C4'-P-C4' energy: -72.204 flat angles P-C4'-P energy: -57.036 tors. eta vs tors. theta energy: -27.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -350.476046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.476046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.476046 (E_RNA) where: Base-Base interactions energy: -113.491 where: short stacking energy: -99.257 Base-Backbone interact. energy: -2.166 local terms energy: -234.818866 where: bonds (distance) C4'-P energy: -74.198 bonds (distance) P-C4' energy: -58.700 flat angles C4'-P-C4' energy: -65.945 flat angles P-C4'-P energy: -50.943 tors. eta vs tors. theta energy: 14.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -328.297021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.297021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.297021 (E_RNA) where: Base-Base interactions energy: -134.490 where: short stacking energy: -97.361 Base-Backbone interact. energy: 0.882 local terms energy: -194.688849 where: bonds (distance) C4'-P energy: -64.746 bonds (distance) P-C4' energy: -70.282 flat angles C4'-P-C4' energy: -43.268 flat angles P-C4'-P energy: -33.989 tors. eta vs tors. theta energy: 17.596 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: 3 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -1420.089487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.089487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.089487 (E_RNA) where: Base-Base interactions energy: -990.061 where: short stacking energy: -394.564 Base-Backbone interact. energy: -1.641 local terms energy: -428.386935 where: bonds (distance) C4'-P energy: -86.188 bonds (distance) P-C4' energy: -81.500 flat angles C4'-P-C4' energy: -92.012 flat angles P-C4'-P energy: -67.230 tors. eta vs tors. theta energy: -101.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -1325.569349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.569349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.569349 (E_RNA) where: Base-Base interactions energy: -893.570 where: short stacking energy: -410.704 Base-Backbone interact. energy: -0.805 local terms energy: -431.194334 where: bonds (distance) C4'-P energy: -78.065 bonds (distance) P-C4' energy: -71.006 flat angles C4'-P-C4' energy: -85.117 flat angles P-C4'-P energy: -65.820 tors. eta vs tors. theta energy: -131.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -1278.740996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.740996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.740996 (E_RNA) where: Base-Base interactions energy: -874.722 where: short stacking energy: -379.366 Base-Backbone interact. energy: 1.387 local terms energy: -405.405731 where: bonds (distance) C4'-P energy: -78.061 bonds (distance) P-C4' energy: -72.707 flat angles C4'-P-C4' energy: -87.911 flat angles P-C4'-P energy: -61.170 tors. eta vs tors. theta energy: -105.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -1246.766441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.766441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.766441 (E_RNA) where: Base-Base interactions energy: -851.307 where: short stacking energy: -366.126 Base-Backbone interact. energy: -1.591 local terms energy: -393.868220 where: bonds (distance) C4'-P energy: -70.219 bonds (distance) P-C4' energy: -80.249 flat angles C4'-P-C4' energy: -77.408 flat angles P-C4'-P energy: -55.995 tors. eta vs tors. theta energy: -109.997 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: 1 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -1109.183946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.183946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.183946 (E_RNA) where: Base-Base interactions energy: -758.473 where: short stacking energy: -335.120 Base-Backbone interact. energy: -1.661 local terms energy: -349.049442 where: bonds (distance) C4'-P energy: -69.969 bonds (distance) P-C4' energy: -76.013 flat angles C4'-P-C4' energy: -74.401 flat angles P-C4'-P energy: -48.101 tors. eta vs tors. theta energy: -80.566 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: 6 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -1020.878654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.878654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.878654 (E_RNA) where: Base-Base interactions energy: -680.595 where: short stacking energy: -305.959 Base-Backbone interact. energy: 1.126 local terms energy: -341.409430 where: bonds (distance) C4'-P energy: -63.246 bonds (distance) P-C4' energy: -64.371 flat angles C4'-P-C4' energy: -76.810 flat angles P-C4'-P energy: -54.071 tors. eta vs tors. theta energy: -82.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -824.506955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.506955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.506955 (E_RNA) where: Base-Base interactions energy: -511.506 where: short stacking energy: -246.420 Base-Backbone interact. energy: -1.814 local terms energy: -311.186902 where: bonds (distance) C4'-P energy: -73.907 bonds (distance) P-C4' energy: -62.657 flat angles C4'-P-C4' energy: -70.653 flat angles P-C4'-P energy: -41.107 tors. eta vs tors. theta energy: -62.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -687.306043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.306043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.306043 (E_RNA) where: Base-Base interactions energy: -402.253 where: short stacking energy: -199.401 Base-Backbone interact. energy: -2.031 local terms energy: -283.021443 where: bonds (distance) C4'-P energy: -73.129 bonds (distance) P-C4' energy: -66.336 flat angles C4'-P-C4' energy: -68.165 flat angles P-C4'-P energy: -49.292 tors. eta vs tors. theta energy: -26.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -354.599681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.599681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.599681 (E_RNA) where: Base-Base interactions energy: -129.976 where: short stacking energy: -123.881 Base-Backbone interact. energy: -1.825 local terms energy: -222.798755 where: bonds (distance) C4'-P energy: -71.408 bonds (distance) P-C4' energy: -62.673 flat angles C4'-P-C4' energy: -59.806 flat angles P-C4'-P energy: -34.680 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: 4 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -328.985436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.985436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.985436 (E_RNA) where: Base-Base interactions energy: -110.640 where: short stacking energy: -95.148 Base-Backbone interact. energy: -0.242 local terms energy: -218.103507 where: bonds (distance) C4'-P energy: -56.591 bonds (distance) P-C4' energy: -77.139 flat angles C4'-P-C4' energy: -53.986 flat angles P-C4'-P energy: -42.878 tors. eta vs tors. theta energy: 12.491 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: 1, replica: 3 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -1413.600008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.600008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.600008 (E_RNA) where: Base-Base interactions energy: -982.931 where: short stacking energy: -404.922 Base-Backbone interact. energy: -2.104 local terms energy: -428.565470 where: bonds (distance) C4'-P energy: -79.068 bonds (distance) P-C4' energy: -85.612 flat angles C4'-P-C4' energy: -93.256 flat angles P-C4'-P energy: -64.897 tors. eta vs tors. theta energy: -105.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -1354.889067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.889067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.889067 (E_RNA) where: Base-Base interactions energy: -912.914 where: short stacking energy: -423.303 Base-Backbone interact. energy: -0.563 local terms energy: -441.411339 where: bonds (distance) C4'-P energy: -77.028 bonds (distance) P-C4' energy: -81.345 flat angles C4'-P-C4' energy: -96.863 flat angles P-C4'-P energy: -56.382 tors. eta vs tors. theta energy: -129.793 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: 9 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -1305.140677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.140677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.140677 (E_RNA) where: Base-Base interactions energy: -893.750 where: short stacking energy: -382.779 Base-Backbone interact. energy: -2.420 local terms energy: -408.970182 where: bonds (distance) C4'-P energy: -74.224 bonds (distance) P-C4' energy: -87.820 flat angles C4'-P-C4' energy: -81.320 flat angles P-C4'-P energy: -56.516 tors. eta vs tors. theta energy: -109.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -1278.343662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.343662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.343662 (E_RNA) where: Base-Base interactions energy: -889.651 where: short stacking energy: -380.992 Base-Backbone interact. energy: -0.515 local terms energy: -388.178422 where: bonds (distance) C4'-P energy: -63.271 bonds (distance) P-C4' energy: -75.781 flat angles C4'-P-C4' energy: -74.861 flat angles P-C4'-P energy: -52.984 tors. eta vs tors. theta energy: -121.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -1112.102101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.102101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.102101 (E_RNA) where: Base-Base interactions energy: -735.065 where: short stacking energy: -334.076 Base-Backbone interact. energy: -0.755 local terms energy: -376.282438 where: bonds (distance) C4'-P energy: -61.870 bonds (distance) P-C4' energy: -68.515 flat angles C4'-P-C4' energy: -88.377 flat angles P-C4'-P energy: -58.029 tors. eta vs tors. theta energy: -99.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -1079.546014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.546014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.546014 (E_RNA) where: Base-Base interactions energy: -724.639 where: short stacking energy: -337.522 Base-Backbone interact. energy: -1.521 local terms energy: -353.386082 where: bonds (distance) C4'-P energy: -59.520 bonds (distance) P-C4' energy: -77.173 flat angles C4'-P-C4' energy: -77.973 flat angles P-C4'-P energy: -48.502 tors. eta vs tors. theta energy: -90.218 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: 7, replica: 5 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -851.149889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.149889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.149889 (E_RNA) where: Base-Base interactions energy: -545.005 where: short stacking energy: -254.038 Base-Backbone interact. energy: -1.484 local terms energy: -304.661452 where: bonds (distance) C4'-P energy: -65.608 bonds (distance) P-C4' energy: -73.645 flat angles C4'-P-C4' energy: -76.672 flat angles P-C4'-P energy: -33.319 tors. eta vs tors. theta energy: -55.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -653.412481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.412481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.412481 (E_RNA) where: Base-Base interactions energy: -369.976 where: short stacking energy: -186.721 Base-Backbone interact. energy: 1.512 local terms energy: -284.947989 where: bonds (distance) C4'-P energy: -66.334 bonds (distance) P-C4' energy: -74.728 flat angles C4'-P-C4' energy: -70.915 flat angles P-C4'-P energy: -43.072 tors. eta vs tors. theta energy: -29.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -436.084546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.084546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.084546 (E_RNA) where: Base-Base interactions energy: -208.298 where: short stacking energy: -133.315 Base-Backbone interact. energy: 1.701 local terms energy: -229.487759 where: bonds (distance) C4'-P energy: -62.895 bonds (distance) P-C4' energy: -65.641 flat angles C4'-P-C4' energy: -63.963 flat angles P-C4'-P energy: -37.957 tors. eta vs tors. theta energy: 0.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -323.993547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.993547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.993547 (E_RNA) where: Base-Base interactions energy: -112.163 where: short stacking energy: -91.718 Base-Backbone interact. energy: 0.359 local terms energy: -212.189064 where: bonds (distance) C4'-P energy: -67.244 bonds (distance) P-C4' energy: -61.518 flat angles C4'-P-C4' energy: -57.092 flat angles P-C4'-P energy: -45.910 tors. eta vs tors. theta energy: 19.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -1401.621348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.621348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.621348 (E_RNA) where: Base-Base interactions energy: -970.871 where: short stacking energy: -412.076 Base-Backbone interact. energy: 0.054 local terms energy: -430.804191 where: bonds (distance) C4'-P energy: -74.233 bonds (distance) P-C4' energy: -79.844 flat angles C4'-P-C4' energy: -100.840 flat angles P-C4'-P energy: -59.307 tors. eta vs tors. theta energy: -116.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -1336.273928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.273928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.273928 (E_RNA) where: Base-Base interactions energy: -892.930 where: short stacking energy: -410.473 Base-Backbone interact. energy: -1.052 local terms energy: -442.291923 where: bonds (distance) C4'-P energy: -73.156 bonds (distance) P-C4' energy: -75.966 flat angles C4'-P-C4' energy: -91.729 flat angles P-C4'-P energy: -64.046 tors. eta vs tors. theta energy: -137.394 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: 9 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -1311.376729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.376729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.376729 (E_RNA) where: Base-Base interactions energy: -902.337 where: short stacking energy: -400.704 Base-Backbone interact. energy: -2.370 local terms energy: -406.669142 where: bonds (distance) C4'-P energy: -80.273 bonds (distance) P-C4' energy: -72.576 flat angles C4'-P-C4' energy: -85.022 flat angles P-C4'-P energy: -56.044 tors. eta vs tors. theta energy: -112.754 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: 7 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -1263.757984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.757984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.757984 (E_RNA) where: Base-Base interactions energy: -851.958 where: short stacking energy: -380.952 Base-Backbone interact. energy: 1.651 local terms energy: -413.451114 where: bonds (distance) C4'-P energy: -71.798 bonds (distance) P-C4' energy: -85.563 flat angles C4'-P-C4' energy: -84.578 flat angles P-C4'-P energy: -57.822 tors. eta vs tors. theta energy: -113.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -1122.782827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.782827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.782827 (E_RNA) where: Base-Base interactions energy: -750.149 where: short stacking energy: -342.065 Base-Backbone interact. energy: -1.650 local terms energy: -370.982924 where: bonds (distance) C4'-P energy: -56.594 bonds (distance) P-C4' energy: -74.780 flat angles C4'-P-C4' energy: -79.355 flat angles P-C4'-P energy: -52.969 tors. eta vs tors. theta energy: -107.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -1046.093355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.093355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.093355 (E_RNA) where: Base-Base interactions energy: -721.428 where: short stacking energy: -322.261 Base-Backbone interact. energy: 0.550 local terms energy: -325.214984 where: bonds (distance) C4'-P energy: -64.145 bonds (distance) P-C4' energy: -74.697 flat angles C4'-P-C4' energy: -76.119 flat angles P-C4'-P energy: -35.035 tors. eta vs tors. theta energy: -75.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -869.922530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.922530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.922530 (E_RNA) where: Base-Base interactions energy: -563.249 where: short stacking energy: -266.167 Base-Backbone interact. energy: -0.328 local terms energy: -306.345438 where: bonds (distance) C4'-P energy: -64.053 bonds (distance) P-C4' energy: -55.552 flat angles C4'-P-C4' energy: -77.774 flat angles P-C4'-P energy: -47.215 tors. eta vs tors. theta energy: -61.751 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: 2 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -625.557678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.557678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.557678 (E_RNA) where: Base-Base interactions energy: -333.336 where: short stacking energy: -168.305 Base-Backbone interact. energy: -1.577 local terms energy: -290.644749 where: bonds (distance) C4'-P energy: -65.281 bonds (distance) P-C4' energy: -92.729 flat angles C4'-P-C4' energy: -62.569 flat angles P-C4'-P energy: -45.719 tors. eta vs tors. theta energy: -24.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -388.749501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.749501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.749501 (E_RNA) where: Base-Base interactions energy: -150.011 where: short stacking energy: -104.702 Base-Backbone interact. energy: 1.747 local terms energy: -240.485668 where: bonds (distance) C4'-P energy: -63.863 bonds (distance) P-C4' energy: -77.804 flat angles C4'-P-C4' energy: -46.710 flat angles P-C4'-P energy: -51.776 tors. eta vs tors. theta energy: -0.333 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: 4 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -327.326666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.326666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.326666 (E_RNA) where: Base-Base interactions energy: -124.845 where: short stacking energy: -96.452 Base-Backbone interact. energy: -1.291 local terms energy: -201.191143 where: bonds (distance) C4'-P energy: -54.523 bonds (distance) P-C4' energy: -84.116 flat angles C4'-P-C4' energy: -61.738 flat angles P-C4'-P energy: -26.509 tors. eta vs tors. theta energy: 25.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -1365.054109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.054109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.054109 (E_RNA) where: Base-Base interactions energy: -929.936 where: short stacking energy: -422.194 Base-Backbone interact. energy: -1.107 local terms energy: -434.011252 where: bonds (distance) C4'-P energy: -86.697 bonds (distance) P-C4' energy: -76.087 flat angles C4'-P-C4' energy: -89.873 flat angles P-C4'-P energy: -65.524 tors. eta vs tors. theta energy: -115.831 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: 8 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -1340.523587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.523587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.523587 (E_RNA) where: Base-Base interactions energy: -902.190 where: short stacking energy: -391.994 Base-Backbone interact. energy: -1.413 local terms energy: -436.920382 where: bonds (distance) C4'-P energy: -84.097 bonds (distance) P-C4' energy: -83.097 flat angles C4'-P-C4' energy: -87.036 flat angles P-C4'-P energy: -58.939 tors. eta vs tors. theta energy: -123.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -1281.720833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.720833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.720833 (E_RNA) where: Base-Base interactions energy: -874.239 where: short stacking energy: -379.168 Base-Backbone interact. energy: -2.699 local terms energy: -404.783646 where: bonds (distance) C4'-P energy: -72.592 bonds (distance) P-C4' energy: -75.468 flat angles C4'-P-C4' energy: -92.276 flat angles P-C4'-P energy: -53.490 tors. eta vs tors. theta energy: -110.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -1235.665216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.665216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.665216 (E_RNA) where: Base-Base interactions energy: -823.167 where: short stacking energy: -362.923 Base-Backbone interact. energy: -0.350 local terms energy: -412.149096 where: bonds (distance) C4'-P energy: -74.571 bonds (distance) P-C4' energy: -68.641 flat angles C4'-P-C4' energy: -90.172 flat angles P-C4'-P energy: -71.790 tors. eta vs tors. theta energy: -106.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -1130.221293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.221293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.221293 (E_RNA) where: Base-Base interactions energy: -767.305 where: short stacking energy: -339.922 Base-Backbone interact. energy: 2.182 local terms energy: -365.097714 where: bonds (distance) C4'-P energy: -59.113 bonds (distance) P-C4' energy: -73.492 flat angles C4'-P-C4' energy: -84.480 flat angles P-C4'-P energy: -50.362 tors. eta vs tors. theta energy: -97.651 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: 1 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -1016.188969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.188969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.188969 (E_RNA) where: Base-Base interactions energy: -684.885 where: short stacking energy: -292.055 Base-Backbone interact. energy: 0.807 local terms energy: -332.111428 where: bonds (distance) C4'-P energy: -50.367 bonds (distance) P-C4' energy: -81.326 flat angles C4'-P-C4' energy: -73.122 flat angles P-C4'-P energy: -42.545 tors. eta vs tors. theta energy: -84.752 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: 5 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -850.858528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.858528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.858528 (E_RNA) where: Base-Base interactions energy: -537.859 where: short stacking energy: -248.284 Base-Backbone interact. energy: 0.897 local terms energy: -313.896638 where: bonds (distance) C4'-P energy: -77.619 bonds (distance) P-C4' energy: -70.765 flat angles C4'-P-C4' energy: -61.016 flat angles P-C4'-P energy: -45.035 tors. eta vs tors. theta energy: -59.461 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: 2 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -646.985448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.985448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.985448 (E_RNA) where: Base-Base interactions energy: -379.105 where: short stacking energy: -186.160 Base-Backbone interact. energy: 1.245 local terms energy: -269.125478 where: bonds (distance) C4'-P energy: -64.015 bonds (distance) P-C4' energy: -63.176 flat angles C4'-P-C4' energy: -62.807 flat angles P-C4'-P energy: -44.329 tors. eta vs tors. theta energy: -34.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -369.668366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.668366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.668366 (E_RNA) where: Base-Base interactions energy: -146.777 where: short stacking energy: -86.983 Base-Backbone interact. energy: 0.515 local terms energy: -223.406322 where: bonds (distance) C4'-P energy: -76.809 bonds (distance) P-C4' energy: -65.948 flat angles C4'-P-C4' energy: -59.115 flat angles P-C4'-P energy: -28.926 tors. eta vs tors. theta energy: 7.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -352.909905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.909905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.909905 (E_RNA) where: Base-Base interactions energy: -151.165 where: short stacking energy: -105.172 Base-Backbone interact. energy: -0.756 local terms energy: -200.988669 where: bonds (distance) C4'-P energy: -41.012 bonds (distance) P-C4' energy: -68.948 flat angles C4'-P-C4' energy: -67.179 flat angles P-C4'-P energy: -32.758 tors. eta vs tors. theta energy: 8.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -1382.756949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.756949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.756949 (E_RNA) where: Base-Base interactions energy: -961.366 where: short stacking energy: -397.379 Base-Backbone interact. energy: -1.666 local terms energy: -419.724642 where: bonds (distance) C4'-P energy: -78.052 bonds (distance) P-C4' energy: -86.676 flat angles C4'-P-C4' energy: -86.031 flat angles P-C4'-P energy: -55.661 tors. eta vs tors. theta energy: -113.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -1327.711223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.711223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.711223 (E_RNA) where: Base-Base interactions energy: -900.594 where: short stacking energy: -412.364 Base-Backbone interact. energy: 0.060 local terms energy: -427.177195 where: bonds (distance) C4'-P energy: -80.715 bonds (distance) P-C4' energy: -72.181 flat angles C4'-P-C4' energy: -92.133 flat angles P-C4'-P energy: -52.122 tors. eta vs tors. theta energy: -130.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -1272.368112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.368112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.368112 (E_RNA) where: Base-Base interactions energy: -858.780 where: short stacking energy: -389.713 Base-Backbone interact. energy: -1.200 local terms energy: -412.387513 where: bonds (distance) C4'-P energy: -74.236 bonds (distance) P-C4' energy: -80.292 flat angles C4'-P-C4' energy: -91.765 flat angles P-C4'-P energy: -60.917 tors. eta vs tors. theta energy: -105.177 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: 7 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -1256.931049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.931049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.931049 (E_RNA) where: Base-Base interactions energy: -846.677 where: short stacking energy: -358.203 Base-Backbone interact. energy: -0.352 local terms energy: -409.902031 where: bonds (distance) C4'-P energy: -86.036 bonds (distance) P-C4' energy: -76.497 flat angles C4'-P-C4' energy: -82.578 flat angles P-C4'-P energy: -57.471 tors. eta vs tors. theta energy: -107.320 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: 6 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -1110.566839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.566839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.566839 (E_RNA) where: Base-Base interactions energy: -725.477 where: short stacking energy: -329.927 Base-Backbone interact. energy: 2.956 local terms energy: -388.044984 where: bonds (distance) C4'-P energy: -85.550 bonds (distance) P-C4' energy: -80.691 flat angles C4'-P-C4' energy: -78.836 flat angles P-C4'-P energy: -54.078 tors. eta vs tors. theta energy: -88.890 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: 1 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -1023.863661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.863661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.863661 (E_RNA) where: Base-Base interactions energy: -664.948 where: short stacking energy: -284.676 Base-Backbone interact. energy: -1.136 local terms energy: -357.778943 where: bonds (distance) C4'-P energy: -64.422 bonds (distance) P-C4' energy: -70.764 flat angles C4'-P-C4' energy: -82.466 flat angles P-C4'-P energy: -51.497 tors. eta vs tors. theta energy: -88.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -855.823857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.823857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.823857 (E_RNA) where: Base-Base interactions energy: -556.946 where: short stacking energy: -275.505 Base-Backbone interact. energy: 10.150 local terms energy: -309.028288 where: bonds (distance) C4'-P energy: -57.757 bonds (distance) P-C4' energy: -64.167 flat angles C4'-P-C4' energy: -76.277 flat angles P-C4'-P energy: -48.144 tors. eta vs tors. theta energy: -62.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -602.588959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.588959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.588959 (E_RNA) where: Base-Base interactions energy: -327.191 where: short stacking energy: -172.833 Base-Backbone interact. energy: -1.932 local terms energy: -273.466593 where: bonds (distance) C4'-P energy: -65.645 bonds (distance) P-C4' energy: -72.098 flat angles C4'-P-C4' energy: -73.376 flat angles P-C4'-P energy: -39.081 tors. eta vs tors. theta energy: -23.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -406.996720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.996720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.996720 (E_RNA) where: Base-Base interactions energy: -157.755 where: short stacking energy: -116.048 Base-Backbone interact. energy: 1.247 local terms energy: -250.489050 where: bonds (distance) C4'-P energy: -62.788 bonds (distance) P-C4' energy: -81.241 flat angles C4'-P-C4' energy: -54.464 flat angles P-C4'-P energy: -51.024 tors. eta vs tors. theta energy: -0.973 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: 4 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -325.737930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.737930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.737930 (E_RNA) where: Base-Base interactions energy: -130.119 where: short stacking energy: -91.014 Base-Backbone interact. energy: -0.479 local terms energy: -195.139527 where: bonds (distance) C4'-P energy: -69.788 bonds (distance) P-C4' energy: -59.267 flat angles C4'-P-C4' energy: -36.838 flat angles P-C4'-P energy: -43.055 tors. eta vs tors. theta energy: 13.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -1362.505552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.505552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.505552 (E_RNA) where: Base-Base interactions energy: -912.689 where: short stacking energy: -420.471 Base-Backbone interact. energy: -0.142 local terms energy: -449.674657 where: bonds (distance) C4'-P energy: -72.644 bonds (distance) P-C4' energy: -84.455 flat angles C4'-P-C4' energy: -89.195 flat angles P-C4'-P energy: -70.625 tors. eta vs tors. theta energy: -132.755 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: 372 Temperature: 0.950000 Total energy: -1353.679903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.679903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.679903 (E_RNA) where: Base-Base interactions energy: -918.392 where: short stacking energy: -376.252 Base-Backbone interact. energy: 1.633 local terms energy: -436.920012 where: bonds (distance) C4'-P energy: -81.543 bonds (distance) P-C4' energy: -82.652 flat angles C4'-P-C4' energy: -89.182 flat angles P-C4'-P energy: -67.762 tors. eta vs tors. theta energy: -115.781 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: 7 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -1287.809608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.809608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.809608 (E_RNA) where: Base-Base interactions energy: -870.065 where: short stacking energy: -373.505 Base-Backbone interact. energy: -0.693 local terms energy: -417.052159 where: bonds (distance) C4'-P energy: -81.002 bonds (distance) P-C4' energy: -81.222 flat angles C4'-P-C4' energy: -92.825 flat angles P-C4'-P energy: -59.553 tors. eta vs tors. theta energy: -102.451 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: 9 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -1251.343934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.343934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.343934 (E_RNA) where: Base-Base interactions energy: -837.116 where: short stacking energy: -355.586 Base-Backbone interact. energy: -4.298 local terms energy: -409.929923 where: bonds (distance) C4'-P energy: -77.819 bonds (distance) P-C4' energy: -86.791 flat angles C4'-P-C4' energy: -82.620 flat angles P-C4'-P energy: -56.400 tors. eta vs tors. theta energy: -106.299 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: 6 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -1103.221619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.221619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.221619 (E_RNA) where: Base-Base interactions energy: -742.110 where: short stacking energy: -328.479 Base-Backbone interact. energy: -1.589 local terms energy: -359.522825 where: bonds (distance) C4'-P energy: -63.803 bonds (distance) P-C4' energy: -70.380 flat angles C4'-P-C4' energy: -80.688 flat angles P-C4'-P energy: -55.679 tors. eta vs tors. theta energy: -88.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -1101.349140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.349140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.349140 (E_RNA) where: Base-Base interactions energy: -718.162 where: short stacking energy: -321.960 Base-Backbone interact. energy: -2.310 local terms energy: -380.877075 where: bonds (distance) C4'-P energy: -57.238 bonds (distance) P-C4' energy: -76.470 flat angles C4'-P-C4' energy: -83.981 flat angles P-C4'-P energy: -56.074 tors. eta vs tors. theta energy: -107.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -856.754909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.754909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.754909 (E_RNA) where: Base-Base interactions energy: -543.265 where: short stacking energy: -264.475 Base-Backbone interact. energy: 0.070 local terms energy: -313.559578 where: bonds (distance) C4'-P energy: -62.755 bonds (distance) P-C4' energy: -72.487 flat angles C4'-P-C4' energy: -74.811 flat angles P-C4'-P energy: -49.983 tors. eta vs tors. theta energy: -53.523 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: 2 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -637.240247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.240247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.240247 (E_RNA) where: Base-Base interactions energy: -378.092 where: short stacking energy: -192.808 Base-Backbone interact. energy: -0.776 local terms energy: -258.372639 where: bonds (distance) C4'-P energy: -56.711 bonds (distance) P-C4' energy: -59.342 flat angles C4'-P-C4' energy: -71.050 flat angles P-C4'-P energy: -45.147 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: 10 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -374.027669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.027669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.027669 (E_RNA) where: Base-Base interactions energy: -133.138 where: short stacking energy: -117.303 Base-Backbone interact. energy: 2.359 local terms energy: -243.248512 where: bonds (distance) C4'-P energy: -75.810 bonds (distance) P-C4' energy: -72.044 flat angles C4'-P-C4' energy: -52.412 flat angles P-C4'-P energy: -37.859 tors. eta vs tors. theta energy: -5.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -329.085076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.085076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.085076 (E_RNA) where: Base-Base interactions energy: -127.781 where: short stacking energy: -100.680 Base-Backbone interact. energy: 2.627 local terms energy: -203.930789 where: bonds (distance) C4'-P energy: -68.932 bonds (distance) P-C4' energy: -61.395 flat angles C4'-P-C4' energy: -58.259 flat angles P-C4'-P energy: -32.895 tors. eta vs tors. theta energy: 17.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -1370.365412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.365412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.365412 (E_RNA) where: Base-Base interactions energy: -934.735 where: short stacking energy: -416.413 Base-Backbone interact. energy: -0.192 local terms energy: -435.438180 where: bonds (distance) C4'-P energy: -68.609 bonds (distance) P-C4' energy: -72.978 flat angles C4'-P-C4' energy: -94.534 flat angles P-C4'-P energy: -63.805 tors. eta vs tors. theta energy: -135.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -1373.537630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.537630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.537630 (E_RNA) where: Base-Base interactions energy: -967.313 where: short stacking energy: -398.491 Base-Backbone interact. energy: -2.268 local terms energy: -403.956301 where: bonds (distance) C4'-P energy: -74.167 bonds (distance) P-C4' energy: -71.279 flat angles C4'-P-C4' energy: -85.674 flat angles P-C4'-P energy: -58.264 tors. eta vs tors. theta energy: -114.572 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: 3, replica: 7 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -1301.987896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.987896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.987896 (E_RNA) where: Base-Base interactions energy: -884.586 where: short stacking energy: -385.387 Base-Backbone interact. energy: -0.943 local terms energy: -416.459307 where: bonds (distance) C4'-P energy: -79.269 bonds (distance) P-C4' energy: -68.125 flat angles C4'-P-C4' energy: -92.295 flat angles P-C4'-P energy: -59.667 tors. eta vs tors. theta energy: -117.104 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: 373 Temperature: 1.050000 Total energy: -1199.675478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.675478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.675478 (E_RNA) where: Base-Base interactions energy: -818.473 where: short stacking energy: -324.747 Base-Backbone interact. energy: -0.270 local terms energy: -380.932439 where: bonds (distance) C4'-P energy: -77.302 bonds (distance) P-C4' energy: -77.019 flat angles C4'-P-C4' energy: -80.498 flat angles P-C4'-P energy: -44.356 tors. eta vs tors. theta energy: -101.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -1086.780694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.780694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.780694 (E_RNA) where: Base-Base interactions energy: -722.510 where: short stacking energy: -325.685 Base-Backbone interact. energy: -2.324 local terms energy: -361.947234 where: bonds (distance) C4'-P energy: -70.091 bonds (distance) P-C4' energy: -61.730 flat angles C4'-P-C4' energy: -85.532 flat angles P-C4'-P energy: -45.112 tors. eta vs tors. theta energy: -99.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -1079.995253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.995253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.995253 (E_RNA) where: Base-Base interactions energy: -722.593 where: short stacking energy: -317.254 Base-Backbone interact. energy: -1.050 local terms energy: -356.352997 where: bonds (distance) C4'-P energy: -75.271 bonds (distance) P-C4' energy: -58.493 flat angles C4'-P-C4' energy: -84.480 flat angles P-C4'-P energy: -41.642 tors. eta vs tors. theta energy: -96.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -841.176343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.176343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.176343 (E_RNA) where: Base-Base interactions energy: -512.769 where: short stacking energy: -234.111 Base-Backbone interact. energy: -1.710 local terms energy: -326.696869 where: bonds (distance) C4'-P energy: -75.895 bonds (distance) P-C4' energy: -79.501 flat angles C4'-P-C4' energy: -76.565 flat angles P-C4'-P energy: -43.938 tors. eta vs tors. theta energy: -50.799 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: 2 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -666.645248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.645248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.645248 (E_RNA) where: Base-Base interactions energy: -381.365 where: short stacking energy: -206.011 Base-Backbone interact. energy: 1.784 local terms energy: -287.064142 where: bonds (distance) C4'-P energy: -54.633 bonds (distance) P-C4' energy: -69.900 flat angles C4'-P-C4' energy: -76.382 flat angles P-C4'-P energy: -35.736 tors. eta vs tors. theta energy: -50.413 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: 10 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -357.517556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.517556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.517556 (E_RNA) where: Base-Base interactions energy: -121.328 where: short stacking energy: -95.168 Base-Backbone interact. energy: 6.502 local terms energy: -242.691928 where: bonds (distance) C4'-P energy: -71.785 bonds (distance) P-C4' energy: -66.618 flat angles C4'-P-C4' energy: -70.146 flat angles P-C4'-P energy: -40.540 tors. eta vs tors. theta energy: 6.397 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: 10, replica: 4 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -318.134407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.134407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.134407 (E_RNA) where: Base-Base interactions energy: -119.648 where: short stacking energy: -99.576 Base-Backbone interact. energy: 3.094 local terms energy: -201.579970 where: bonds (distance) C4'-P energy: -73.949 bonds (distance) P-C4' energy: -56.012 flat angles C4'-P-C4' energy: -52.841 flat angles P-C4'-P energy: -29.063 tors. eta vs tors. theta energy: 10.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -1391.509120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.509120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.509120 (E_RNA) where: Base-Base interactions energy: -958.717 where: short stacking energy: -400.145 Base-Backbone interact. energy: -2.364 local terms energy: -430.427731 where: bonds (distance) C4'-P energy: -75.765 bonds (distance) P-C4' energy: -84.662 flat angles C4'-P-C4' energy: -86.153 flat angles P-C4'-P energy: -60.448 tors. eta vs tors. theta energy: -123.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -1352.442351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.442351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.442351 (E_RNA) where: Base-Base interactions energy: -918.430 where: short stacking energy: -399.970 Base-Backbone interact. energy: -0.597 local terms energy: -433.415553 where: bonds (distance) C4'-P energy: -68.970 bonds (distance) P-C4' energy: -76.148 flat angles C4'-P-C4' energy: -89.185 flat angles P-C4'-P energy: -71.955 tors. eta vs tors. theta energy: -127.158 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: 7 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -1300.767763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.767763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.767763 (E_RNA) where: Base-Base interactions energy: -891.994 where: short stacking energy: -371.871 Base-Backbone interact. energy: -1.544 local terms energy: -407.229104 where: bonds (distance) C4'-P energy: -82.778 bonds (distance) P-C4' energy: -80.783 flat angles C4'-P-C4' energy: -86.853 flat angles P-C4'-P energy: -45.095 tors. eta vs tors. theta energy: -111.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -1190.894949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.894949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.894949 (E_RNA) where: Base-Base interactions energy: -814.438 where: short stacking energy: -348.300 Base-Backbone interact. energy: -2.895 local terms energy: -373.561786 where: bonds (distance) C4'-P energy: -78.204 bonds (distance) P-C4' energy: -67.098 flat angles C4'-P-C4' energy: -79.052 flat angles P-C4'-P energy: -52.814 tors. eta vs tors. theta energy: -96.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -1088.661266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.661266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.661266 (E_RNA) where: Base-Base interactions energy: -713.621 where: short stacking energy: -296.303 Base-Backbone interact. energy: 3.678 local terms energy: -378.718996 where: bonds (distance) C4'-P energy: -75.092 bonds (distance) P-C4' energy: -83.137 flat angles C4'-P-C4' energy: -75.100 flat angles P-C4'-P energy: -55.145 tors. eta vs tors. theta energy: -90.246 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: 1 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -1062.889051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.889051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.889051 (E_RNA) where: Base-Base interactions energy: -713.677 where: short stacking energy: -318.044 Base-Backbone interact. energy: -2.278 local terms energy: -346.933903 where: bonds (distance) C4'-P energy: -73.390 bonds (distance) P-C4' energy: -57.294 flat angles C4'-P-C4' energy: -78.341 flat angles P-C4'-P energy: -48.166 tors. eta vs tors. theta energy: -89.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -849.026140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.026140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.026140 (E_RNA) where: Base-Base interactions energy: -529.596 where: short stacking energy: -242.446 Base-Backbone interact. energy: -0.054 local terms energy: -319.376063 where: bonds (distance) C4'-P energy: -69.763 bonds (distance) P-C4' energy: -76.867 flat angles C4'-P-C4' energy: -78.505 flat angles P-C4'-P energy: -41.947 tors. eta vs tors. theta energy: -52.295 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: 2 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -637.282948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.282948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.282948 (E_RNA) where: Base-Base interactions energy: -370.278 where: short stacking energy: -192.459 Base-Backbone interact. energy: -1.793 local terms energy: -265.212085 where: bonds (distance) C4'-P energy: -58.115 bonds (distance) P-C4' energy: -63.724 flat angles C4'-P-C4' energy: -62.315 flat angles P-C4'-P energy: -43.368 tors. eta vs tors. theta energy: -37.690 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: 9, replica: 4 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -344.191501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.191501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.191501 (E_RNA) where: Base-Base interactions energy: -119.507 where: short stacking energy: -92.259 Base-Backbone interact. energy: -0.774 local terms energy: -223.911222 where: bonds (distance) C4'-P energy: -78.080 bonds (distance) P-C4' energy: -62.599 flat angles C4'-P-C4' energy: -53.994 flat angles P-C4'-P energy: -33.844 tors. eta vs tors. theta energy: 4.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -348.147834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.147834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.147834 (E_RNA) where: Base-Base interactions energy: -110.720 where: short stacking energy: -102.595 Base-Backbone interact. energy: -1.198 local terms energy: -236.230320 where: bonds (distance) C4'-P energy: -63.305 bonds (distance) P-C4' energy: -61.897 flat angles C4'-P-C4' energy: -64.413 flat angles P-C4'-P energy: -43.809 tors. eta vs tors. theta energy: -2.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -1406.258811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.258811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.258811 (E_RNA) where: Base-Base interactions energy: -973.539 where: short stacking energy: -385.559 Base-Backbone interact. energy: 0.510 local terms energy: -433.230634 where: bonds (distance) C4'-P energy: -75.335 bonds (distance) P-C4' energy: -92.099 flat angles C4'-P-C4' energy: -94.376 flat angles P-C4'-P energy: -54.503 tors. eta vs tors. theta energy: -116.918 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: 8 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -1352.691314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.691314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.691314 (E_RNA) where: Base-Base interactions energy: -901.626 where: short stacking energy: -407.316 Base-Backbone interact. energy: -1.476 local terms energy: -449.589445 where: bonds (distance) C4'-P energy: -74.105 bonds (distance) P-C4' energy: -84.662 flat angles C4'-P-C4' energy: -93.337 flat angles P-C4'-P energy: -61.279 tors. eta vs tors. theta energy: -136.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -1293.562502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.562502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.562502 (E_RNA) where: Base-Base interactions energy: -882.254 where: short stacking energy: -394.286 Base-Backbone interact. energy: -1.643 local terms energy: -409.665428 where: bonds (distance) C4'-P energy: -82.103 bonds (distance) P-C4' energy: -65.845 flat angles C4'-P-C4' energy: -87.684 flat angles P-C4'-P energy: -58.097 tors. eta vs tors. theta energy: -115.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -1163.718277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.718277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.718277 (E_RNA) where: Base-Base interactions energy: -774.559 where: short stacking energy: -317.431 Base-Backbone interact. energy: -1.880 local terms energy: -387.279435 where: bonds (distance) C4'-P energy: -80.341 bonds (distance) P-C4' energy: -76.044 flat angles C4'-P-C4' energy: -83.171 flat angles P-C4'-P energy: -43.899 tors. eta vs tors. theta energy: -103.824 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: 5, replica: 6 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -1103.468934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.468934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.468934 (E_RNA) where: Base-Base interactions energy: -742.367 where: short stacking energy: -337.524 Base-Backbone interact. energy: -1.543 local terms energy: -359.558681 where: bonds (distance) C4'-P energy: -58.885 bonds (distance) P-C4' energy: -79.069 flat angles C4'-P-C4' energy: -69.293 flat angles P-C4'-P energy: -56.319 tors. eta vs tors. theta energy: -95.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -1046.584424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.584424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.584424 (E_RNA) where: Base-Base interactions energy: -707.090 where: short stacking energy: -304.026 Base-Backbone interact. energy: -1.745 local terms energy: -337.749283 where: bonds (distance) C4'-P energy: -69.655 bonds (distance) P-C4' energy: -74.698 flat angles C4'-P-C4' energy: -81.643 flat angles P-C4'-P energy: -36.501 tors. eta vs tors. theta energy: -75.252 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: 5 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -826.348360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.348360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.348360 (E_RNA) where: Base-Base interactions energy: -518.619 where: short stacking energy: -239.916 Base-Backbone interact. energy: 1.442 local terms energy: -309.171671 where: bonds (distance) C4'-P energy: -77.322 bonds (distance) P-C4' energy: -65.369 flat angles C4'-P-C4' energy: -62.156 flat angles P-C4'-P energy: -45.772 tors. eta vs tors. theta energy: -58.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -628.889418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.889418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.889418 (E_RNA) where: Base-Base interactions energy: -342.741 where: short stacking energy: -168.870 Base-Backbone interact. energy: -0.264 local terms energy: -285.884107 where: bonds (distance) C4'-P energy: -67.359 bonds (distance) P-C4' energy: -77.104 flat angles C4'-P-C4' energy: -63.505 flat angles P-C4'-P energy: -48.637 tors. eta vs tors. theta energy: -29.279 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: 9, replica: 4 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -376.744669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.744669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.744669 (E_RNA) where: Base-Base interactions energy: -148.598 where: short stacking energy: -96.383 Base-Backbone interact. energy: -3.470 local terms energy: -224.676762 where: bonds (distance) C4'-P energy: -64.818 bonds (distance) P-C4' energy: -65.366 flat angles C4'-P-C4' energy: -57.217 flat angles P-C4'-P energy: -43.151 tors. eta vs tors. theta energy: 5.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -312.858405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.858405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.858405 (E_RNA) where: Base-Base interactions energy: -111.183 where: short stacking energy: -75.491 Base-Backbone interact. energy: -2.062 local terms energy: -199.613318 where: bonds (distance) C4'-P energy: -61.852 bonds (distance) P-C4' energy: -64.027 flat angles C4'-P-C4' energy: -66.199 flat angles P-C4'-P energy: -39.353 tors. eta vs tors. theta energy: 31.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -1386.533854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.533854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.533854 (E_RNA) where: Base-Base interactions energy: -927.827 where: short stacking energy: -433.278 Base-Backbone interact. energy: -1.141 local terms energy: -457.565684 where: bonds (distance) C4'-P energy: -85.476 bonds (distance) P-C4' energy: -80.078 flat angles C4'-P-C4' energy: -94.795 flat angles P-C4'-P energy: -64.596 tors. eta vs tors. theta energy: -132.620 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: 3 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -1367.768474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.768474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.768474 (E_RNA) where: Base-Base interactions energy: -939.670 where: short stacking energy: -396.618 Base-Backbone interact. energy: 5.842 local terms energy: -433.940737 where: bonds (distance) C4'-P energy: -81.579 bonds (distance) P-C4' energy: -80.224 flat angles C4'-P-C4' energy: -91.242 flat angles P-C4'-P energy: -65.220 tors. eta vs tors. theta energy: -115.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -1326.905919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.905919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.905919 (E_RNA) where: Base-Base interactions energy: -892.152 where: short stacking energy: -392.589 Base-Backbone interact. energy: -0.399 local terms energy: -434.354677 where: bonds (distance) C4'-P energy: -76.572 bonds (distance) P-C4' energy: -80.452 flat angles C4'-P-C4' energy: -88.772 flat angles P-C4'-P energy: -57.996 tors. eta vs tors. theta energy: -130.563 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: 4, replica: 9 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -1216.118764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.118764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.118764 (E_RNA) where: Base-Base interactions energy: -812.000 where: short stacking energy: -332.375 Base-Backbone interact. energy: 1.957 local terms energy: -406.075787 where: bonds (distance) C4'-P energy: -79.565 bonds (distance) P-C4' energy: -79.524 flat angles C4'-P-C4' energy: -87.051 flat angles P-C4'-P energy: -61.744 tors. eta vs tors. theta energy: -98.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -1108.713383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.713383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.713383 (E_RNA) where: Base-Base interactions energy: -725.082 where: short stacking energy: -313.353 Base-Backbone interact. energy: 0.299 local terms energy: -383.930350 where: bonds (distance) C4'-P energy: -75.812 bonds (distance) P-C4' energy: -72.634 flat angles C4'-P-C4' energy: -87.041 flat angles P-C4'-P energy: -57.225 tors. eta vs tors. theta energy: -91.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -1021.746304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.746304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.746304 (E_RNA) where: Base-Base interactions energy: -689.829 where: short stacking energy: -302.751 Base-Backbone interact. energy: 0.605 local terms energy: -332.523071 where: bonds (distance) C4'-P energy: -68.409 bonds (distance) P-C4' energy: -64.363 flat angles C4'-P-C4' energy: -78.727 flat angles P-C4'-P energy: -44.524 tors. eta vs tors. theta energy: -76.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -799.826501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.826501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.826501 (E_RNA) where: Base-Base interactions energy: -491.889 where: short stacking energy: -257.734 Base-Backbone interact. energy: -0.449 local terms energy: -307.488227 where: bonds (distance) C4'-P energy: -57.821 bonds (distance) P-C4' energy: -70.628 flat angles C4'-P-C4' energy: -81.437 flat angles P-C4'-P energy: -37.324 tors. eta vs tors. theta energy: -60.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -705.312551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.312551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.312551 (E_RNA) where: Base-Base interactions energy: -413.127 where: short stacking energy: -223.545 Base-Backbone interact. energy: -1.341 local terms energy: -290.844447 where: bonds (distance) C4'-P energy: -57.853 bonds (distance) P-C4' energy: -83.125 flat angles C4'-P-C4' energy: -71.221 flat angles P-C4'-P energy: -41.566 tors. eta vs tors. theta energy: -37.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -348.709068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.709068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.709068 (E_RNA) where: Base-Base interactions energy: -124.406 where: short stacking energy: -112.427 Base-Backbone interact. energy: -0.842 local terms energy: -223.461817 where: bonds (distance) C4'-P energy: -72.623 bonds (distance) P-C4' energy: -68.148 flat angles C4'-P-C4' energy: -54.772 flat angles P-C4'-P energy: -33.884 tors. eta vs tors. theta energy: 5.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -317.755106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.755106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.755106 (E_RNA) where: Base-Base interactions energy: -93.746 where: short stacking energy: -74.956 Base-Backbone interact. energy: 2.075 local terms energy: -226.083740 where: bonds (distance) C4'-P energy: -65.376 bonds (distance) P-C4' energy: -82.273 flat angles C4'-P-C4' energy: -56.698 flat angles P-C4'-P energy: -33.584 tors. eta vs tors. theta energy: 11.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -1378.233052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.233052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.233052 (E_RNA) where: Base-Base interactions energy: -904.589 where: short stacking energy: -420.159 Base-Backbone interact. energy: -0.422 local terms energy: -473.221987 where: bonds (distance) C4'-P energy: -89.076 bonds (distance) P-C4' energy: -87.197 flat angles C4'-P-C4' energy: -98.845 flat angles P-C4'-P energy: -59.910 tors. eta vs tors. theta energy: -138.194 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: 2, replica: 3 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -1352.082263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.082263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.082263 (E_RNA) where: Base-Base interactions energy: -955.710 where: short stacking energy: -396.821 Base-Backbone interact. energy: 2.365 local terms energy: -398.737439 where: bonds (distance) C4'-P energy: -77.870 bonds (distance) P-C4' energy: -81.768 flat angles C4'-P-C4' energy: -72.511 flat angles P-C4'-P energy: -54.733 tors. eta vs tors. theta energy: -111.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -1292.155032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.155032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.155032 (E_RNA) where: Base-Base interactions energy: -870.012 where: short stacking energy: -385.420 Base-Backbone interact. energy: -0.725 local terms energy: -421.417458 where: bonds (distance) C4'-P energy: -77.104 bonds (distance) P-C4' energy: -85.352 flat angles C4'-P-C4' energy: -88.937 flat angles P-C4'-P energy: -44.758 tors. eta vs tors. theta energy: -125.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -1226.299988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.299988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.299988 (E_RNA) where: Base-Base interactions energy: -848.727 where: short stacking energy: -345.406 Base-Backbone interact. energy: 0.831 local terms energy: -378.403784 where: bonds (distance) C4'-P energy: -77.881 bonds (distance) P-C4' energy: -67.740 flat angles C4'-P-C4' energy: -79.161 flat angles P-C4'-P energy: -55.523 tors. eta vs tors. theta energy: -98.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -1072.937236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.937236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.937236 (E_RNA) where: Base-Base interactions energy: -704.478 where: short stacking energy: -327.954 Base-Backbone interact. energy: 3.636 local terms energy: -372.094856 where: bonds (distance) C4'-P energy: -77.460 bonds (distance) P-C4' energy: -69.571 flat angles C4'-P-C4' energy: -75.671 flat angles P-C4'-P energy: -51.520 tors. eta vs tors. theta energy: -97.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -1044.844699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.844699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.844699 (E_RNA) where: Base-Base interactions energy: -681.736 where: short stacking energy: -298.851 Base-Backbone interact. energy: -2.406 local terms energy: -360.702639 where: bonds (distance) C4'-P energy: -75.909 bonds (distance) P-C4' energy: -63.585 flat angles C4'-P-C4' energy: -83.254 flat angles P-C4'-P energy: -56.224 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: 5 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -814.481494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.481494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.481494 (E_RNA) where: Base-Base interactions energy: -491.791 where: short stacking energy: -241.310 Base-Backbone interact. energy: 0.914 local terms energy: -323.603909 where: bonds (distance) C4'-P energy: -73.051 bonds (distance) P-C4' energy: -71.721 flat angles C4'-P-C4' energy: -80.055 flat angles P-C4'-P energy: -39.389 tors. eta vs tors. theta energy: -59.388 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: 2 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -697.334190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.334190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.334190 (E_RNA) where: Base-Base interactions energy: -423.779 where: short stacking energy: -215.410 Base-Backbone interact. energy: 1.995 local terms energy: -275.550018 where: bonds (distance) C4'-P energy: -66.466 bonds (distance) P-C4' energy: -76.422 flat angles C4'-P-C4' energy: -58.176 flat angles P-C4'-P energy: -35.739 tors. eta vs tors. theta energy: -38.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -348.723595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.723595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.723595 (E_RNA) where: Base-Base interactions energy: -123.384 where: short stacking energy: -84.594 Base-Backbone interact. energy: -2.555 local terms energy: -222.784989 where: bonds (distance) C4'-P energy: -63.820 bonds (distance) P-C4' energy: -73.539 flat angles C4'-P-C4' energy: -61.140 flat angles P-C4'-P energy: -34.473 tors. eta vs tors. theta energy: 10.187 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: 10, replica: 10 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -338.382983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.382983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.382983 (E_RNA) where: Base-Base interactions energy: -99.647 where: short stacking energy: -88.290 Base-Backbone interact. energy: 0.514 local terms energy: -239.250317 where: bonds (distance) C4'-P energy: -65.338 bonds (distance) P-C4' energy: -77.247 flat angles C4'-P-C4' energy: -66.179 flat angles P-C4'-P energy: -36.680 tors. eta vs tors. theta energy: 6.194 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: 1, replica: 8 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -1364.954372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.954372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.954372 (E_RNA) where: Base-Base interactions energy: -917.762 where: short stacking energy: -423.335 Base-Backbone interact. energy: -1.862 local terms energy: -445.330715 where: bonds (distance) C4'-P energy: -83.305 bonds (distance) P-C4' energy: -83.198 flat angles C4'-P-C4' energy: -91.979 flat angles P-C4'-P energy: -56.432 tors. eta vs tors. theta energy: -130.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -1384.239805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.239805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.239805 (E_RNA) where: Base-Base interactions energy: -956.301 where: short stacking energy: -395.590 Base-Backbone interact. energy: -4.194 local terms energy: -423.745071 where: bonds (distance) C4'-P energy: -80.754 bonds (distance) P-C4' energy: -85.034 flat angles C4'-P-C4' energy: -85.374 flat angles P-C4'-P energy: -60.904 tors. eta vs tors. theta energy: -111.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -1324.742506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.742506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.742506 (E_RNA) where: Base-Base interactions energy: -903.543 where: short stacking energy: -390.572 Base-Backbone interact. energy: -1.611 local terms energy: -419.588550 where: bonds (distance) C4'-P energy: -72.476 bonds (distance) P-C4' energy: -66.656 flat angles C4'-P-C4' energy: -90.302 flat angles P-C4'-P energy: -63.735 tors. eta vs tors. theta energy: -126.419 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: 9 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -1242.120382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.120382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.120382 (E_RNA) where: Base-Base interactions energy: -834.633 where: short stacking energy: -359.257 Base-Backbone interact. energy: -1.099 local terms energy: -406.388916 where: bonds (distance) C4'-P energy: -77.330 bonds (distance) P-C4' energy: -71.943 flat angles C4'-P-C4' energy: -90.998 flat angles P-C4'-P energy: -57.634 tors. eta vs tors. theta energy: -108.484 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: 1 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -1088.258172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.258172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.258172 (E_RNA) where: Base-Base interactions energy: -723.276 where: short stacking energy: -314.795 Base-Backbone interact. energy: -2.354 local terms energy: -362.628057 where: bonds (distance) C4'-P energy: -76.604 bonds (distance) P-C4' energy: -59.935 flat angles C4'-P-C4' energy: -83.938 flat angles P-C4'-P energy: -57.880 tors. eta vs tors. theta energy: -84.271 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: 378 Temperature: 1.150000 Total energy: -1048.807341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.807341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.807341 (E_RNA) where: Base-Base interactions energy: -705.056 where: short stacking energy: -298.115 Base-Backbone interact. energy: -1.964 local terms energy: -341.787771 where: bonds (distance) C4'-P energy: -65.702 bonds (distance) P-C4' energy: -74.104 flat angles C4'-P-C4' energy: -74.861 flat angles P-C4'-P energy: -41.906 tors. eta vs tors. theta energy: -85.215 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: 2 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -756.911307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.911307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.911307 (E_RNA) where: Base-Base interactions energy: -444.660 where: short stacking energy: -208.294 Base-Backbone interact. energy: -2.123 local terms energy: -310.127579 where: bonds (distance) C4'-P energy: -65.280 bonds (distance) P-C4' energy: -75.541 flat angles C4'-P-C4' energy: -62.933 flat angles P-C4'-P energy: -50.787 tors. eta vs tors. theta energy: -55.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -728.892019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.892019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.892019 (E_RNA) where: Base-Base interactions energy: -466.882 where: short stacking energy: -233.187 Base-Backbone interact. energy: -0.881 local terms energy: -261.129196 where: bonds (distance) C4'-P energy: -59.663 bonds (distance) P-C4' energy: -69.245 flat angles C4'-P-C4' energy: -54.459 flat angles P-C4'-P energy: -36.695 tors. eta vs tors. theta energy: -41.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -353.804685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.804685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.804685 (E_RNA) where: Base-Base interactions energy: -98.105 where: short stacking energy: -90.907 Base-Backbone interact. energy: -1.907 local terms energy: -253.792966 where: bonds (distance) C4'-P energy: -65.155 bonds (distance) P-C4' energy: -85.144 flat angles C4'-P-C4' energy: -64.883 flat angles P-C4'-P energy: -48.517 tors. eta vs tors. theta energy: 9.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -306.046378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.046378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.046378 (E_RNA) where: Base-Base interactions energy: -93.649 where: short stacking energy: -65.675 Base-Backbone interact. energy: -3.074 local terms energy: -209.323505 where: bonds (distance) C4'-P energy: -79.348 bonds (distance) P-C4' energy: -75.865 flat angles C4'-P-C4' energy: -52.772 flat angles P-C4'-P energy: -21.076 tors. eta vs tors. theta energy: 19.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -1392.267312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.267312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.267312 (E_RNA) where: Base-Base interactions energy: -933.455 where: short stacking energy: -432.930 Base-Backbone interact. energy: 0.453 local terms energy: -459.265904 where: bonds (distance) C4'-P energy: -84.327 bonds (distance) P-C4' energy: -88.912 flat angles C4'-P-C4' energy: -91.550 flat angles P-C4'-P energy: -58.968 tors. eta vs tors. theta energy: -135.509 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: 2, replica: 3 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -1403.667212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.667212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.667212 (E_RNA) where: Base-Base interactions energy: -965.503 where: short stacking energy: -403.996 Base-Backbone interact. energy: -3.681 local terms energy: -434.483396 where: bonds (distance) C4'-P energy: -82.216 bonds (distance) P-C4' energy: -84.548 flat angles C4'-P-C4' energy: -94.297 flat angles P-C4'-P energy: -60.763 tors. eta vs tors. theta energy: -112.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -1292.991350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.991350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.991350 (E_RNA) where: Base-Base interactions energy: -864.025 where: short stacking energy: -367.268 Base-Backbone interact. energy: -0.034 local terms energy: -428.932220 where: bonds (distance) C4'-P energy: -81.580 bonds (distance) P-C4' energy: -81.544 flat angles C4'-P-C4' energy: -85.964 flat angles P-C4'-P energy: -61.813 tors. eta vs tors. theta energy: -118.031 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: 9 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -1238.903634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.903634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.903634 (E_RNA) where: Base-Base interactions energy: -837.273 where: short stacking energy: -357.174 Base-Backbone interact. energy: -2.102 local terms energy: -399.528359 where: bonds (distance) C4'-P energy: -70.192 bonds (distance) P-C4' energy: -83.033 flat angles C4'-P-C4' energy: -83.529 flat angles P-C4'-P energy: -62.194 tors. eta vs tors. theta energy: -100.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -1121.418151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.418151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.418151 (E_RNA) where: Base-Base interactions energy: -744.342 where: short stacking energy: -336.599 Base-Backbone interact. energy: -0.626 local terms energy: -376.450395 where: bonds (distance) C4'-P energy: -68.559 bonds (distance) P-C4' energy: -81.112 flat angles C4'-P-C4' energy: -89.204 flat angles P-C4'-P energy: -51.024 tors. eta vs tors. theta energy: -86.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -1063.648320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.648320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.648320 (E_RNA) where: Base-Base interactions energy: -685.950 where: short stacking energy: -303.131 Base-Backbone interact. energy: -0.798 local terms energy: -376.900082 where: bonds (distance) C4'-P energy: -76.926 bonds (distance) P-C4' energy: -64.240 flat angles C4'-P-C4' energy: -79.502 flat angles P-C4'-P energy: -64.250 tors. eta vs tors. theta energy: -91.982 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: 2 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -763.160996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.160996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.160996 (E_RNA) where: Base-Base interactions energy: -448.635 where: short stacking energy: -218.208 Base-Backbone interact. energy: -2.905 local terms energy: -311.621579 where: bonds (distance) C4'-P energy: -79.760 bonds (distance) P-C4' energy: -84.679 flat angles C4'-P-C4' energy: -57.752 flat angles P-C4'-P energy: -49.639 tors. eta vs tors. theta energy: -39.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -699.179247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.179247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.179247 (E_RNA) where: Base-Base interactions energy: -416.264 where: short stacking energy: -195.693 Base-Backbone interact. energy: -0.774 local terms energy: -282.140756 where: bonds (distance) C4'-P energy: -67.586 bonds (distance) P-C4' energy: -74.088 flat angles C4'-P-C4' energy: -67.363 flat angles P-C4'-P energy: -33.878 tors. eta vs tors. theta energy: -39.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -397.662131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.662131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.662131 (E_RNA) where: Base-Base interactions energy: -159.503 where: short stacking energy: -124.178 Base-Backbone interact. energy: -2.365 local terms energy: -235.794396 where: bonds (distance) C4'-P energy: -64.855 bonds (distance) P-C4' energy: -63.805 flat angles C4'-P-C4' energy: -63.483 flat angles P-C4'-P energy: -31.452 tors. eta vs tors. theta energy: -12.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -363.966643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.966643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.966643 (E_RNA) where: Base-Base interactions energy: -156.113 where: short stacking energy: -108.343 Base-Backbone interact. energy: -0.533 local terms energy: -207.321099 where: bonds (distance) C4'-P energy: -57.462 bonds (distance) P-C4' energy: -72.243 flat angles C4'-P-C4' energy: -66.796 flat angles P-C4'-P energy: -36.975 tors. eta vs tors. theta energy: 26.154 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: 380 Temperature: 0.900000 Total energy: -1394.377237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.377237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.377237 (E_RNA) where: Base-Base interactions energy: -971.863 where: short stacking energy: -401.870 Base-Backbone interact. energy: -4.673 local terms energy: -417.841132 where: bonds (distance) C4'-P energy: -76.790 bonds (distance) P-C4' energy: -78.295 flat angles C4'-P-C4' energy: -94.455 flat angles P-C4'-P energy: -48.872 tors. eta vs tors. theta energy: -119.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -1335.196059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.196059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.196059 (E_RNA) where: Base-Base interactions energy: -887.208 where: short stacking energy: -388.328 Base-Backbone interact. energy: -1.330 local terms energy: -446.657468 where: bonds (distance) C4'-P energy: -90.929 bonds (distance) P-C4' energy: -83.242 flat angles C4'-P-C4' energy: -89.890 flat angles P-C4'-P energy: -59.098 tors. eta vs tors. theta energy: -123.498 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: 7 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -1288.857604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.857604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.857604 (E_RNA) where: Base-Base interactions energy: -883.440 where: short stacking energy: -380.303 Base-Backbone interact. energy: -1.868 local terms energy: -403.549770 where: bonds (distance) C4'-P energy: -69.576 bonds (distance) P-C4' energy: -80.729 flat angles C4'-P-C4' energy: -88.300 flat angles P-C4'-P energy: -46.752 tors. eta vs tors. theta energy: -118.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -1245.640715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.640715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.640715 (E_RNA) where: Base-Base interactions energy: -849.063 where: short stacking energy: -365.762 Base-Backbone interact. energy: -2.243 local terms energy: -394.334985 where: bonds (distance) C4'-P energy: -62.466 bonds (distance) P-C4' energy: -83.044 flat angles C4'-P-C4' energy: -83.004 flat angles P-C4'-P energy: -67.313 tors. eta vs tors. theta energy: -98.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -1099.335487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.335487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.335487 (E_RNA) where: Base-Base interactions energy: -738.963 where: short stacking energy: -325.222 Base-Backbone interact. energy: -2.140 local terms energy: -358.233107 where: bonds (distance) C4'-P energy: -68.943 bonds (distance) P-C4' energy: -70.825 flat angles C4'-P-C4' energy: -66.447 flat angles P-C4'-P energy: -54.207 tors. eta vs tors. theta energy: -97.811 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: 6 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -1045.071724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.071724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.071724 (E_RNA) where: Base-Base interactions energy: -677.539 where: short stacking energy: -294.952 Base-Backbone interact. energy: -1.724 local terms energy: -365.808744 where: bonds (distance) C4'-P energy: -67.694 bonds (distance) P-C4' energy: -70.815 flat angles C4'-P-C4' energy: -79.391 flat angles P-C4'-P energy: -59.020 tors. eta vs tors. theta energy: -88.888 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: 5 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -805.685430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.685430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.685430 (E_RNA) where: Base-Base interactions energy: -486.519 where: short stacking energy: -231.123 Base-Backbone interact. energy: 0.146 local terms energy: -319.312289 where: bonds (distance) C4'-P energy: -64.838 bonds (distance) P-C4' energy: -66.171 flat angles C4'-P-C4' energy: -70.383 flat angles P-C4'-P energy: -52.431 tors. eta vs tors. theta energy: -65.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -683.263365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.263365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.263365 (E_RNA) where: Base-Base interactions energy: -398.987 where: short stacking energy: -183.641 Base-Backbone interact. energy: -1.607 local terms energy: -282.669222 where: bonds (distance) C4'-P energy: -57.778 bonds (distance) P-C4' energy: -79.836 flat angles C4'-P-C4' energy: -64.623 flat angles P-C4'-P energy: -43.803 tors. eta vs tors. theta energy: -36.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -389.785648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.785648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.785648 (E_RNA) where: Base-Base interactions energy: -176.521 where: short stacking energy: -133.903 Base-Backbone interact. energy: -1.461 local terms energy: -211.804363 where: bonds (distance) C4'-P energy: -55.214 bonds (distance) P-C4' energy: -65.082 flat angles C4'-P-C4' energy: -52.421 flat angles P-C4'-P energy: -40.159 tors. eta vs tors. theta energy: 1.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -331.126381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.126381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.126381 (E_RNA) where: Base-Base interactions energy: -121.419 where: short stacking energy: -85.770 Base-Backbone interact. energy: -1.695 local terms energy: -208.013066 where: bonds (distance) C4'-P energy: -76.098 bonds (distance) P-C4' energy: -61.829 flat angles C4'-P-C4' energy: -56.039 flat angles P-C4'-P energy: -20.353 tors. eta vs tors. theta energy: 6.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -1409.743733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.743733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.743733 (E_RNA) where: Base-Base interactions energy: -977.380 where: short stacking energy: -414.904 Base-Backbone interact. energy: 0.051 local terms energy: -432.415256 where: bonds (distance) C4'-P energy: -84.806 bonds (distance) P-C4' energy: -81.857 flat angles C4'-P-C4' energy: -88.359 flat angles P-C4'-P energy: -55.910 tors. eta vs tors. theta energy: -121.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -1327.464495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.464495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.464495 (E_RNA) where: Base-Base interactions energy: -908.181 where: short stacking energy: -392.227 Base-Backbone interact. energy: 2.308 local terms energy: -421.591066 where: bonds (distance) C4'-P energy: -85.357 bonds (distance) P-C4' energy: -71.742 flat angles C4'-P-C4' energy: -92.842 flat angles P-C4'-P energy: -48.799 tors. eta vs tors. theta energy: -122.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -1296.773150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.773150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.773150 (E_RNA) where: Base-Base interactions energy: -876.581 where: short stacking energy: -387.884 Base-Backbone interact. energy: -0.235 local terms energy: -419.957205 where: bonds (distance) C4'-P energy: -79.654 bonds (distance) P-C4' energy: -80.007 flat angles C4'-P-C4' energy: -84.845 flat angles P-C4'-P energy: -58.883 tors. eta vs tors. theta energy: -116.568 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: 9 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -1243.341265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.341265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.341265 (E_RNA) where: Base-Base interactions energy: -852.609 where: short stacking energy: -353.228 Base-Backbone interact. energy: -0.695 local terms energy: -390.038125 where: bonds (distance) C4'-P energy: -66.488 bonds (distance) P-C4' energy: -88.267 flat angles C4'-P-C4' energy: -76.699 flat angles P-C4'-P energy: -53.131 tors. eta vs tors. theta energy: -105.453 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: 1 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -1085.395908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.395908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.395908 (E_RNA) where: Base-Base interactions energy: -716.906 where: short stacking energy: -298.652 Base-Backbone interact. energy: -3.364 local terms energy: -365.126002 where: bonds (distance) C4'-P energy: -68.088 bonds (distance) P-C4' energy: -82.219 flat angles C4'-P-C4' energy: -83.519 flat angles P-C4'-P energy: -40.092 tors. eta vs tors. theta energy: -91.208 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: 6 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -1027.446960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.446960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.446960 (E_RNA) where: Base-Base interactions energy: -660.992 where: short stacking energy: -280.002 Base-Backbone interact. energy: -0.799 local terms energy: -365.656022 where: bonds (distance) C4'-P energy: -68.802 bonds (distance) P-C4' energy: -83.439 flat angles C4'-P-C4' energy: -85.558 flat angles P-C4'-P energy: -52.970 tors. eta vs tors. theta energy: -74.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -837.485631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.485631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.485631 (E_RNA) where: Base-Base interactions energy: -515.557 where: short stacking energy: -226.332 Base-Backbone interact. energy: -1.964 local terms energy: -319.964856 where: bonds (distance) C4'-P energy: -64.046 bonds (distance) P-C4' energy: -68.452 flat angles C4'-P-C4' energy: -78.023 flat angles P-C4'-P energy: -56.565 tors. eta vs tors. theta energy: -52.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -683.009721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.009721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.009721 (E_RNA) where: Base-Base interactions energy: -383.269 where: short stacking energy: -181.700 Base-Backbone interact. energy: 0.738 local terms energy: -300.478600 where: bonds (distance) C4'-P energy: -79.894 bonds (distance) P-C4' energy: -64.866 flat angles C4'-P-C4' energy: -66.677 flat angles P-C4'-P energy: -44.792 tors. eta vs tors. theta energy: -44.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -369.608472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.608472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.608472 (E_RNA) where: Base-Base interactions energy: -145.768 where: short stacking energy: -96.728 Base-Backbone interact. energy: 0.099 local terms energy: -223.938871 where: bonds (distance) C4'-P energy: -68.179 bonds (distance) P-C4' energy: -65.063 flat angles C4'-P-C4' energy: -60.325 flat angles P-C4'-P energy: -44.811 tors. eta vs tors. theta energy: 14.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -337.876851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.876851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.876851 (E_RNA) where: Base-Base interactions energy: -121.519 where: short stacking energy: -92.647 Base-Backbone interact. energy: 1.863 local terms energy: -218.221416 where: bonds (distance) C4'-P energy: -66.794 bonds (distance) P-C4' energy: -73.797 flat angles C4'-P-C4' energy: -47.265 flat angles P-C4'-P energy: -37.187 tors. eta vs tors. theta energy: 6.821 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: 3 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -1415.064247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.064247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.064247 (E_RNA) where: Base-Base interactions energy: -986.304 where: short stacking energy: -432.016 Base-Backbone interact. energy: -0.070 local terms energy: -428.690553 where: bonds (distance) C4'-P energy: -69.029 bonds (distance) P-C4' energy: -85.677 flat angles C4'-P-C4' energy: -95.910 flat angles P-C4'-P energy: -53.787 tors. eta vs tors. theta energy: -124.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -1343.321967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.321967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.321967 (E_RNA) where: Base-Base interactions energy: -918.034 where: short stacking energy: -391.185 Base-Backbone interact. energy: 4.296 local terms energy: -429.584110 where: bonds (distance) C4'-P energy: -83.434 bonds (distance) P-C4' energy: -81.795 flat angles C4'-P-C4' energy: -79.707 flat angles P-C4'-P energy: -63.667 tors. eta vs tors. theta energy: -120.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -1286.540374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.540374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.540374 (E_RNA) where: Base-Base interactions energy: -861.886 where: short stacking energy: -380.075 Base-Backbone interact. energy: -1.035 local terms energy: -423.618763 where: bonds (distance) C4'-P energy: -86.364 bonds (distance) P-C4' energy: -75.313 flat angles C4'-P-C4' energy: -79.655 flat angles P-C4'-P energy: -62.013 tors. eta vs tors. theta energy: -120.274 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: 9 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -1234.454025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.454025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.454025 (E_RNA) where: Base-Base interactions energy: -834.882 where: short stacking energy: -362.749 Base-Backbone interact. energy: -1.733 local terms energy: -397.838893 where: bonds (distance) C4'-P energy: -69.829 bonds (distance) P-C4' energy: -68.264 flat angles C4'-P-C4' energy: -92.372 flat angles P-C4'-P energy: -54.086 tors. eta vs tors. theta energy: -113.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -1104.909163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.909163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.909163 (E_RNA) where: Base-Base interactions energy: -737.923 where: short stacking energy: -301.253 Base-Backbone interact. energy: 1.435 local terms energy: -368.421455 where: bonds (distance) C4'-P energy: -78.044 bonds (distance) P-C4' energy: -74.883 flat angles C4'-P-C4' energy: -77.490 flat angles P-C4'-P energy: -52.021 tors. eta vs tors. theta energy: -85.983 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: 6 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -1004.556150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.556150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.556150 (E_RNA) where: Base-Base interactions energy: -658.478 where: short stacking energy: -287.400 Base-Backbone interact. energy: -1.015 local terms energy: -345.062472 where: bonds (distance) C4'-P energy: -74.324 bonds (distance) P-C4' energy: -71.788 flat angles C4'-P-C4' energy: -75.964 flat angles P-C4'-P energy: -48.477 tors. eta vs tors. theta energy: -74.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -812.296354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.296354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.296354 (E_RNA) where: Base-Base interactions energy: -504.570 where: short stacking energy: -227.323 Base-Backbone interact. energy: -0.987 local terms energy: -306.739591 where: bonds (distance) C4'-P energy: -58.081 bonds (distance) P-C4' energy: -72.337 flat angles C4'-P-C4' energy: -71.539 flat angles P-C4'-P energy: -48.378 tors. eta vs tors. theta energy: -56.404 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: 8, replica: 2 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -607.976725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.976725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.976725 (E_RNA) where: Base-Base interactions energy: -365.271 where: short stacking energy: -171.109 Base-Backbone interact. energy: -1.117 local terms energy: -241.588809 where: bonds (distance) C4'-P energy: -66.299 bonds (distance) P-C4' energy: -64.752 flat angles C4'-P-C4' energy: -60.601 flat angles P-C4'-P energy: -29.426 tors. eta vs tors. theta energy: -20.510 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: 4 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -384.638670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.638670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.638670 (E_RNA) where: Base-Base interactions energy: -136.144 where: short stacking energy: -90.337 Base-Backbone interact. energy: -1.592 local terms energy: -246.903240 where: bonds (distance) C4'-P energy: -87.534 bonds (distance) P-C4' energy: -74.179 flat angles C4'-P-C4' energy: -64.512 flat angles P-C4'-P energy: -39.861 tors. eta vs tors. theta energy: 19.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -323.567564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.567564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.567564 (E_RNA) where: Base-Base interactions energy: -103.810 where: short stacking energy: -96.841 Base-Backbone interact. energy: -1.052 local terms energy: -218.705566 where: bonds (distance) C4'-P energy: -55.532 bonds (distance) P-C4' energy: -66.304 flat angles C4'-P-C4' energy: -58.180 flat angles P-C4'-P energy: -31.303 tors. eta vs tors. theta energy: -7.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -1417.592052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.592052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.592052 (E_RNA) where: Base-Base interactions energy: -974.810 where: short stacking energy: -418.972 Base-Backbone interact. energy: -3.582 local terms energy: -439.200723 where: bonds (distance) C4'-P energy: -78.127 bonds (distance) P-C4' energy: -89.888 flat angles C4'-P-C4' energy: -91.229 flat angles P-C4'-P energy: -56.729 tors. eta vs tors. theta energy: -123.228 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: 7 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -1357.816199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.816199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.816199 (E_RNA) where: Base-Base interactions energy: -925.609 where: short stacking energy: -400.232 Base-Backbone interact. energy: -1.615 local terms energy: -430.592087 where: bonds (distance) C4'-P energy: -81.199 bonds (distance) P-C4' energy: -75.448 flat angles C4'-P-C4' energy: -95.103 flat angles P-C4'-P energy: -53.268 tors. eta vs tors. theta energy: -125.574 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: 8 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -1302.456503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.456503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.456503 (E_RNA) where: Base-Base interactions energy: -888.693 where: short stacking energy: -409.413 Base-Backbone interact. energy: -0.346 local terms energy: -413.417700 where: bonds (distance) C4'-P energy: -75.208 bonds (distance) P-C4' energy: -72.107 flat angles C4'-P-C4' energy: -90.062 flat angles P-C4'-P energy: -49.800 tors. eta vs tors. theta energy: -126.241 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: 4, replica: 9 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -1249.036148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.036148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.036148 (E_RNA) where: Base-Base interactions energy: -827.124 where: short stacking energy: -348.780 Base-Backbone interact. energy: -3.045 local terms energy: -418.867076 where: bonds (distance) C4'-P energy: -87.633 bonds (distance) P-C4' energy: -81.224 flat angles C4'-P-C4' energy: -88.842 flat angles P-C4'-P energy: -58.171 tors. eta vs tors. theta energy: -102.997 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: 1 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -1048.787944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.787944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.787944 (E_RNA) where: Base-Base interactions energy: -665.287 where: short stacking energy: -291.643 Base-Backbone interact. energy: -1.105 local terms energy: -382.395800 where: bonds (distance) C4'-P energy: -77.396 bonds (distance) P-C4' energy: -88.428 flat angles C4'-P-C4' energy: -75.406 flat angles P-C4'-P energy: -57.447 tors. eta vs tors. theta energy: -83.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -1034.485122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.485122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.485122 (E_RNA) where: Base-Base interactions energy: -669.956 where: short stacking energy: -287.422 Base-Backbone interact. energy: -0.021 local terms energy: -364.507874 where: bonds (distance) C4'-P energy: -76.514 bonds (distance) P-C4' energy: -66.145 flat angles C4'-P-C4' energy: -79.983 flat angles P-C4'-P energy: -56.688 tors. eta vs tors. theta energy: -85.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -822.868827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.868827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.868827 (E_RNA) where: Base-Base interactions energy: -531.901 where: short stacking energy: -236.221 Base-Backbone interact. energy: 3.133 local terms energy: -294.100286 where: bonds (distance) C4'-P energy: -65.536 bonds (distance) P-C4' energy: -71.877 flat angles C4'-P-C4' energy: -64.503 flat angles P-C4'-P energy: -45.776 tors. eta vs tors. theta energy: -46.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -593.818875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.818875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.818875 (E_RNA) where: Base-Base interactions energy: -349.248 where: short stacking energy: -176.118 Base-Backbone interact. energy: -1.286 local terms energy: -243.285638 where: bonds (distance) C4'-P energy: -50.446 bonds (distance) P-C4' energy: -71.976 flat angles C4'-P-C4' energy: -63.001 flat angles P-C4'-P energy: -39.928 tors. eta vs tors. theta energy: -17.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -334.501671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.501671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.501671 (E_RNA) where: Base-Base interactions energy: -125.059 where: short stacking energy: -87.163 Base-Backbone interact. energy: 7.790 local terms energy: -217.232682 where: bonds (distance) C4'-P energy: -67.083 bonds (distance) P-C4' energy: -82.647 flat angles C4'-P-C4' energy: -59.764 flat angles P-C4'-P energy: -22.073 tors. eta vs tors. theta energy: 14.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -319.426345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.426345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.426345 (E_RNA) where: Base-Base interactions energy: -113.519 where: short stacking energy: -86.087 Base-Backbone interact. energy: 0.344 local terms energy: -206.251323 where: bonds (distance) C4'-P energy: -73.092 bonds (distance) P-C4' energy: -72.021 flat angles C4'-P-C4' energy: -39.074 flat angles P-C4'-P energy: -34.827 tors. eta vs tors. theta energy: 12.762 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: 3 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -1416.529847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.529847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.529847 (E_RNA) where: Base-Base interactions energy: -964.228 where: short stacking energy: -412.366 Base-Backbone interact. energy: -5.095 local terms energy: -447.206340 where: bonds (distance) C4'-P energy: -87.414 bonds (distance) P-C4' energy: -79.268 flat angles C4'-P-C4' energy: -94.953 flat angles P-C4'-P energy: -66.659 tors. eta vs tors. theta energy: -118.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -1375.179746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.179746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.179746 (E_RNA) where: Base-Base interactions energy: -946.279 where: short stacking energy: -416.660 Base-Backbone interact. energy: -1.165 local terms energy: -427.736233 where: bonds (distance) C4'-P energy: -74.488 bonds (distance) P-C4' energy: -82.388 flat angles C4'-P-C4' energy: -86.988 flat angles P-C4'-P energy: -59.630 tors. eta vs tors. theta energy: -124.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -1304.139942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.139942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.139942 (E_RNA) where: Base-Base interactions energy: -866.250 where: short stacking energy: -378.062 Base-Backbone interact. energy: -1.810 local terms energy: -436.079326 where: bonds (distance) C4'-P energy: -70.034 bonds (distance) P-C4' energy: -76.414 flat angles C4'-P-C4' energy: -93.875 flat angles P-C4'-P energy: -67.730 tors. eta vs tors. theta energy: -128.027 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: 9 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -1227.678845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.678845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.678845 (E_RNA) where: Base-Base interactions energy: -821.962 where: short stacking energy: -341.559 Base-Backbone interact. energy: -0.328 local terms energy: -405.389584 where: bonds (distance) C4'-P energy: -71.657 bonds (distance) P-C4' energy: -92.786 flat angles C4'-P-C4' energy: -82.918 flat angles P-C4'-P energy: -53.871 tors. eta vs tors. theta energy: -104.158 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: 5, replica: 1 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -1109.820446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.820446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.820446 (E_RNA) where: Base-Base interactions energy: -736.232 where: short stacking energy: -346.813 Base-Backbone interact. energy: -3.056 local terms energy: -370.532628 where: bonds (distance) C4'-P energy: -61.521 bonds (distance) P-C4' energy: -78.238 flat angles C4'-P-C4' energy: -92.471 flat angles P-C4'-P energy: -45.912 tors. eta vs tors. theta energy: -92.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -1033.510287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.510287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.510287 (E_RNA) where: Base-Base interactions energy: -689.996 where: short stacking energy: -287.156 Base-Backbone interact. energy: -2.082 local terms energy: -341.432376 where: bonds (distance) C4'-P energy: -66.992 bonds (distance) P-C4' energy: -67.507 flat angles C4'-P-C4' energy: -74.023 flat angles P-C4'-P energy: -51.402 tors. eta vs tors. theta energy: -81.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -827.062385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.062385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.062385 (E_RNA) where: Base-Base interactions energy: -500.462 where: short stacking energy: -225.912 Base-Backbone interact. energy: 0.295 local terms energy: -326.895314 where: bonds (distance) C4'-P energy: -63.993 bonds (distance) P-C4' energy: -65.441 flat angles C4'-P-C4' energy: -66.807 flat angles P-C4'-P energy: -58.146 tors. eta vs tors. theta energy: -72.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -676.694491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.694491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.694491 (E_RNA) where: Base-Base interactions energy: -389.945 where: short stacking energy: -193.903 Base-Backbone interact. energy: -0.644 local terms energy: -286.105432 where: bonds (distance) C4'-P energy: -69.599 bonds (distance) P-C4' energy: -71.270 flat angles C4'-P-C4' energy: -77.794 flat angles P-C4'-P energy: -34.702 tors. eta vs tors. theta energy: -32.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -349.826813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.826813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.826813 (E_RNA) where: Base-Base interactions energy: -130.934 where: short stacking energy: -93.355 Base-Backbone interact. energy: -1.164 local terms energy: -217.728810 where: bonds (distance) C4'-P energy: -75.692 bonds (distance) P-C4' energy: -63.109 flat angles C4'-P-C4' energy: -59.116 flat angles P-C4'-P energy: -25.916 tors. eta vs tors. theta energy: 6.105 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: 4 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -315.835227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.835227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.835227 (E_RNA) where: Base-Base interactions energy: -104.027 where: short stacking energy: -79.636 Base-Backbone interact. energy: 0.402 local terms energy: -212.209792 where: bonds (distance) C4'-P energy: -67.243 bonds (distance) P-C4' energy: -72.582 flat angles C4'-P-C4' energy: -57.314 flat angles P-C4'-P energy: -39.333 tors. eta vs tors. theta energy: 24.262 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: 3 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -1391.480869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.480869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.480869 (E_RNA) where: Base-Base interactions energy: -953.034 where: short stacking energy: -398.992 Base-Backbone interact. energy: -1.316 local terms energy: -437.130849 where: bonds (distance) C4'-P energy: -86.716 bonds (distance) P-C4' energy: -78.472 flat angles C4'-P-C4' energy: -88.134 flat angles P-C4'-P energy: -65.441 tors. eta vs tors. theta energy: -118.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -1367.707243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.707243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.707243 (E_RNA) where: Base-Base interactions energy: -939.014 where: short stacking energy: -406.389 Base-Backbone interact. energy: 1.865 local terms energy: -430.558873 where: bonds (distance) C4'-P energy: -73.914 bonds (distance) P-C4' energy: -74.597 flat angles C4'-P-C4' energy: -95.091 flat angles P-C4'-P energy: -61.266 tors. eta vs tors. theta energy: -125.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -1302.076976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.076976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.076976 (E_RNA) where: Base-Base interactions energy: -876.485 where: short stacking energy: -393.352 Base-Backbone interact. energy: -0.267 local terms energy: -425.325232 where: bonds (distance) C4'-P energy: -75.482 bonds (distance) P-C4' energy: -80.262 flat angles C4'-P-C4' energy: -82.282 flat angles P-C4'-P energy: -61.217 tors. eta vs tors. theta energy: -126.082 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: 9 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -1247.378413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.378413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.378413 (E_RNA) where: Base-Base interactions energy: -849.193 where: short stacking energy: -367.753 Base-Backbone interact. energy: -2.260 local terms energy: -395.925257 where: bonds (distance) C4'-P energy: -71.460 bonds (distance) P-C4' energy: -78.552 flat angles C4'-P-C4' energy: -81.017 flat angles P-C4'-P energy: -61.340 tors. eta vs tors. theta energy: -103.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -1072.459355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.459355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.459355 (E_RNA) where: Base-Base interactions energy: -706.806 where: short stacking energy: -315.247 Base-Backbone interact. energy: -1.386 local terms energy: -364.267344 where: bonds (distance) C4'-P energy: -67.615 bonds (distance) P-C4' energy: -74.215 flat angles C4'-P-C4' energy: -88.225 flat angles P-C4'-P energy: -52.717 tors. eta vs tors. theta energy: -81.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -1026.333293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.333293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.333293 (E_RNA) where: Base-Base interactions energy: -670.816 where: short stacking energy: -286.894 Base-Backbone interact. energy: -0.995 local terms energy: -354.522310 where: bonds (distance) C4'-P energy: -67.539 bonds (distance) P-C4' energy: -78.336 flat angles C4'-P-C4' energy: -73.335 flat angles P-C4'-P energy: -50.189 tors. eta vs tors. theta energy: -85.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -853.112362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.112362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.112362 (E_RNA) where: Base-Base interactions energy: -540.246 where: short stacking energy: -250.957 Base-Backbone interact. energy: -1.352 local terms energy: -311.514501 where: bonds (distance) C4'-P energy: -70.676 bonds (distance) P-C4' energy: -79.260 flat angles C4'-P-C4' energy: -65.763 flat angles P-C4'-P energy: -42.208 tors. eta vs tors. theta energy: -53.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -659.256033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.256033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.256033 (E_RNA) where: Base-Base interactions energy: -376.122 where: short stacking energy: -187.941 Base-Backbone interact. energy: 0.901 local terms energy: -284.034617 where: bonds (distance) C4'-P energy: -50.969 bonds (distance) P-C4' energy: -73.116 flat angles C4'-P-C4' energy: -76.072 flat angles P-C4'-P energy: -40.102 tors. eta vs tors. theta energy: -43.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -369.853683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.853683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.853683 (E_RNA) where: Base-Base interactions energy: -157.495 where: short stacking energy: -118.218 Base-Backbone interact. energy: -0.927 local terms energy: -211.430920 where: bonds (distance) C4'-P energy: -55.168 bonds (distance) P-C4' energy: -71.933 flat angles C4'-P-C4' energy: -61.234 flat angles P-C4'-P energy: -25.151 tors. eta vs tors. theta energy: 2.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -367.422016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.422016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.422016 (E_RNA) where: Base-Base interactions energy: -142.175 where: short stacking energy: -110.777 Base-Backbone interact. energy: 3.225 local terms energy: -228.472189 where: bonds (distance) C4'-P energy: -68.922 bonds (distance) P-C4' energy: -70.797 flat angles C4'-P-C4' energy: -54.507 flat angles P-C4'-P energy: -38.282 tors. eta vs tors. theta energy: 4.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -1385.355251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.355251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.355251 (E_RNA) where: Base-Base interactions energy: -941.771 where: short stacking energy: -412.516 Base-Backbone interact. energy: -3.046 local terms energy: -440.538357 where: bonds (distance) C4'-P energy: -83.172 bonds (distance) P-C4' energy: -85.311 flat angles C4'-P-C4' energy: -88.425 flat angles P-C4'-P energy: -63.072 tors. eta vs tors. theta energy: -120.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -1348.771041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.771041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.771041 (E_RNA) where: Base-Base interactions energy: -912.051 where: short stacking energy: -397.171 Base-Backbone interact. energy: -0.309 local terms energy: -436.410341 where: bonds (distance) C4'-P energy: -77.659 bonds (distance) P-C4' energy: -86.260 flat angles C4'-P-C4' energy: -99.765 flat angles P-C4'-P energy: -46.861 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: 3, replica: 8 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -1294.923743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.923743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.923743 (E_RNA) where: Base-Base interactions energy: -844.759 where: short stacking energy: -401.615 Base-Backbone interact. energy: -0.907 local terms energy: -449.257666 where: bonds (distance) C4'-P energy: -82.414 bonds (distance) P-C4' energy: -83.600 flat angles C4'-P-C4' energy: -91.872 flat angles P-C4'-P energy: -59.754 tors. eta vs tors. theta energy: -131.617 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: 9 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -1239.318285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.318285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.318285 (E_RNA) where: Base-Base interactions energy: -851.919 where: short stacking energy: -354.478 Base-Backbone interact. energy: -2.009 local terms energy: -385.390053 where: bonds (distance) C4'-P energy: -78.152 bonds (distance) P-C4' energy: -76.323 flat angles C4'-P-C4' energy: -79.869 flat angles P-C4'-P energy: -51.464 tors. eta vs tors. theta energy: -99.582 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: 5, replica: 1 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -1093.305926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.305926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.305926 (E_RNA) where: Base-Base interactions energy: -728.223 where: short stacking energy: -315.987 Base-Backbone interact. energy: -2.663 local terms energy: -362.420200 where: bonds (distance) C4'-P energy: -63.454 bonds (distance) P-C4' energy: -73.980 flat angles C4'-P-C4' energy: -88.080 flat angles P-C4'-P energy: -56.139 tors. eta vs tors. theta energy: -80.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -1034.265866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.265866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.265866 (E_RNA) where: Base-Base interactions energy: -645.389 where: short stacking energy: -291.231 Base-Backbone interact. energy: 0.139 local terms energy: -389.015766 where: bonds (distance) C4'-P energy: -82.694 bonds (distance) P-C4' energy: -85.937 flat angles C4'-P-C4' energy: -80.416 flat angles P-C4'-P energy: -58.833 tors. eta vs tors. theta energy: -81.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -841.440755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.440755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.440755 (E_RNA) where: Base-Base interactions energy: -532.148 where: short stacking energy: -251.721 Base-Backbone interact. energy: 0.346 local terms energy: -309.638182 where: bonds (distance) C4'-P energy: -66.135 bonds (distance) P-C4' energy: -68.443 flat angles C4'-P-C4' energy: -77.529 flat angles P-C4'-P energy: -41.290 tors. eta vs tors. theta energy: -56.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -661.662565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.662565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.662565 (E_RNA) where: Base-Base interactions energy: -389.188 where: short stacking energy: -175.030 Base-Backbone interact. energy: 3.541 local terms energy: -276.015082 where: bonds (distance) C4'-P energy: -77.860 bonds (distance) P-C4' energy: -80.928 flat angles C4'-P-C4' energy: -68.819 flat angles P-C4'-P energy: -33.809 tors. eta vs tors. theta energy: -14.599 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: 9, replica: 10 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -330.853111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.853111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.853111 (E_RNA) where: Base-Base interactions energy: -93.511 where: short stacking energy: -82.781 Base-Backbone interact. energy: 0.479 local terms energy: -237.821117 where: bonds (distance) C4'-P energy: -74.689 bonds (distance) P-C4' energy: -79.955 flat angles C4'-P-C4' energy: -65.913 flat angles P-C4'-P energy: -29.617 tors. eta vs tors. theta energy: 12.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -360.475394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.475394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.475394 (E_RNA) where: Base-Base interactions energy: -139.011 where: short stacking energy: -102.557 Base-Backbone interact. energy: -0.703 local terms energy: -220.760517 where: bonds (distance) C4'-P energy: -70.256 bonds (distance) P-C4' energy: -70.582 flat angles C4'-P-C4' energy: -47.667 flat angles P-C4'-P energy: -34.811 tors. eta vs tors. theta energy: 2.555 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: 1, replica: 3 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -1382.236539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.236539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.236539 (E_RNA) where: Base-Base interactions energy: -991.286 where: short stacking energy: -392.885 Base-Backbone interact. energy: 2.112 local terms energy: -393.062831 where: bonds (distance) C4'-P energy: -58.873 bonds (distance) P-C4' energy: -76.924 flat angles C4'-P-C4' energy: -95.191 flat angles P-C4'-P energy: -55.252 tors. eta vs tors. theta energy: -106.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -1344.604268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.604268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.604268 (E_RNA) where: Base-Base interactions energy: -904.033 where: short stacking energy: -398.724 Base-Backbone interact. energy: -1.466 local terms energy: -439.105271 where: bonds (distance) C4'-P energy: -89.101 bonds (distance) P-C4' energy: -73.579 flat angles C4'-P-C4' energy: -88.941 flat angles P-C4'-P energy: -61.201 tors. eta vs tors. theta energy: -126.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -1280.151326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.151326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.151326 (E_RNA) where: Base-Base interactions energy: -845.227 where: short stacking energy: -379.232 Base-Backbone interact. energy: -0.877 local terms energy: -434.047207 where: bonds (distance) C4'-P energy: -84.423 bonds (distance) P-C4' energy: -80.940 flat angles C4'-P-C4' energy: -90.373 flat angles P-C4'-P energy: -62.170 tors. eta vs tors. theta energy: -116.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -1245.926702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.926702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.926702 (E_RNA) where: Base-Base interactions energy: -847.478 where: short stacking energy: -352.709 Base-Backbone interact. energy: -1.142 local terms energy: -397.306628 where: bonds (distance) C4'-P energy: -77.512 bonds (distance) P-C4' energy: -88.225 flat angles C4'-P-C4' energy: -77.836 flat angles P-C4'-P energy: -48.216 tors. eta vs tors. theta energy: -105.518 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: 1 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -1076.428285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.428285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.428285 (E_RNA) where: Base-Base interactions energy: -726.359 where: short stacking energy: -318.354 Base-Backbone interact. energy: -2.172 local terms energy: -347.896858 where: bonds (distance) C4'-P energy: -69.304 bonds (distance) P-C4' energy: -75.127 flat angles C4'-P-C4' energy: -69.730 flat angles P-C4'-P energy: -52.001 tors. eta vs tors. theta energy: -81.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -1027.266110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.266110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.266110 (E_RNA) where: Base-Base interactions energy: -675.636 where: short stacking energy: -303.432 Base-Backbone interact. energy: 1.761 local terms energy: -353.391529 where: bonds (distance) C4'-P energy: -61.496 bonds (distance) P-C4' energy: -80.158 flat angles C4'-P-C4' energy: -75.165 flat angles P-C4'-P energy: -44.379 tors. eta vs tors. theta energy: -92.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -860.976093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.976093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.976093 (E_RNA) where: Base-Base interactions energy: -544.680 where: short stacking energy: -233.662 Base-Backbone interact. energy: -2.487 local terms energy: -313.809100 where: bonds (distance) C4'-P energy: -73.871 bonds (distance) P-C4' energy: -62.359 flat angles C4'-P-C4' energy: -65.787 flat angles P-C4'-P energy: -53.341 tors. eta vs tors. theta energy: -58.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -684.912559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.912559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.912559 (E_RNA) where: Base-Base interactions energy: -398.895 where: short stacking energy: -205.887 Base-Backbone interact. energy: 2.336 local terms energy: -288.353042 where: bonds (distance) C4'-P energy: -63.610 bonds (distance) P-C4' energy: -74.471 flat angles C4'-P-C4' energy: -67.332 flat angles P-C4'-P energy: -46.473 tors. eta vs tors. theta energy: -36.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -365.747168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.747168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.747168 (E_RNA) where: Base-Base interactions energy: -129.264 where: short stacking energy: -97.827 Base-Backbone interact. energy: -0.539 local terms energy: -235.944161 where: bonds (distance) C4'-P energy: -73.151 bonds (distance) P-C4' energy: -81.900 flat angles C4'-P-C4' energy: -59.919 flat angles P-C4'-P energy: -27.162 tors. eta vs tors. theta energy: 6.187 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: 10, replica: 4 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -351.523995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.523995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.523995 (E_RNA) where: Base-Base interactions energy: -132.567 where: short stacking energy: -92.018 Base-Backbone interact. energy: 2.198 local terms energy: -221.154942 where: bonds (distance) C4'-P energy: -72.757 bonds (distance) P-C4' energy: -71.902 flat angles C4'-P-C4' energy: -61.585 flat angles P-C4'-P energy: -25.665 tors. eta vs tors. theta energy: 10.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -1398.960010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.960010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.960010 (E_RNA) where: Base-Base interactions energy: -969.466 where: short stacking energy: -410.151 Base-Backbone interact. energy: -1.510 local terms energy: -427.984180 where: bonds (distance) C4'-P energy: -84.792 bonds (distance) P-C4' energy: -85.077 flat angles C4'-P-C4' energy: -83.667 flat angles P-C4'-P energy: -60.788 tors. eta vs tors. theta energy: -113.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -1362.571114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.571114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.571114 (E_RNA) where: Base-Base interactions energy: -951.853 where: short stacking energy: -413.324 Base-Backbone interact. energy: -0.566 local terms energy: -410.152074 where: bonds (distance) C4'-P energy: -81.642 bonds (distance) P-C4' energy: -73.774 flat angles C4'-P-C4' energy: -74.032 flat angles P-C4'-P energy: -53.551 tors. eta vs tors. theta energy: -127.153 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: 9 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -1279.565745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.565745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.565745 (E_RNA) where: Base-Base interactions energy: -874.415 where: short stacking energy: -387.745 Base-Backbone interact. energy: -0.622 local terms energy: -404.529533 where: bonds (distance) C4'-P energy: -70.697 bonds (distance) P-C4' energy: -81.550 flat angles C4'-P-C4' energy: -83.341 flat angles P-C4'-P energy: -48.658 tors. eta vs tors. theta energy: -120.284 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: 8 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -1245.334063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.334063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.334063 (E_RNA) where: Base-Base interactions energy: -833.076 where: short stacking energy: -360.234 Base-Backbone interact. energy: -1.396 local terms energy: -410.862720 where: bonds (distance) C4'-P energy: -69.155 bonds (distance) P-C4' energy: -83.008 flat angles C4'-P-C4' energy: -88.443 flat angles P-C4'-P energy: -57.238 tors. eta vs tors. theta energy: -113.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -1086.631066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.631066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.631066 (E_RNA) where: Base-Base interactions energy: -730.836 where: short stacking energy: -318.562 Base-Backbone interact. energy: -0.927 local terms energy: -354.867929 where: bonds (distance) C4'-P energy: -69.679 bonds (distance) P-C4' energy: -67.077 flat angles C4'-P-C4' energy: -85.541 flat angles P-C4'-P energy: -43.560 tors. eta vs tors. theta energy: -89.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -1007.476614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.476614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.476614 (E_RNA) where: Base-Base interactions energy: -643.588 where: short stacking energy: -273.990 Base-Backbone interact. energy: -1.007 local terms energy: -362.881051 where: bonds (distance) C4'-P energy: -82.731 bonds (distance) P-C4' energy: -87.118 flat angles C4'-P-C4' energy: -81.209 flat angles P-C4'-P energy: -34.776 tors. eta vs tors. theta energy: -77.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -857.233006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.233006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.233006 (E_RNA) where: Base-Base interactions energy: -557.381 where: short stacking energy: -226.448 Base-Backbone interact. energy: 0.070 local terms energy: -299.921783 where: bonds (distance) C4'-P energy: -69.225 bonds (distance) P-C4' energy: -65.427 flat angles C4'-P-C4' energy: -73.137 flat angles P-C4'-P energy: -42.096 tors. eta vs tors. theta energy: -50.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -668.915977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.915977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.915977 (E_RNA) where: Base-Base interactions energy: -375.849 where: short stacking energy: -191.843 Base-Backbone interact. energy: 0.096 local terms energy: -293.162794 where: bonds (distance) C4'-P energy: -79.341 bonds (distance) P-C4' energy: -74.449 flat angles C4'-P-C4' energy: -60.355 flat angles P-C4'-P energy: -46.449 tors. eta vs tors. theta energy: -32.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -364.438435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.438435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.438435 (E_RNA) where: Base-Base interactions energy: -144.631 where: short stacking energy: -107.135 Base-Backbone interact. energy: -1.567 local terms energy: -218.240289 where: bonds (distance) C4'-P energy: -61.096 bonds (distance) P-C4' energy: -74.505 flat angles C4'-P-C4' energy: -56.104 flat angles P-C4'-P energy: -43.453 tors. eta vs tors. theta energy: 16.918 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: 10, replica: 10 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -336.579663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.579663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.579663 (E_RNA) where: Base-Base interactions energy: -139.927 where: short stacking energy: -76.009 Base-Backbone interact. energy: -0.461 local terms energy: -196.191733 where: bonds (distance) C4'-P energy: -68.065 bonds (distance) P-C4' energy: -72.970 flat angles C4'-P-C4' energy: -63.025 flat angles P-C4'-P energy: -15.140 tors. eta vs tors. theta energy: 23.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -1411.180208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.180208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.180208 (E_RNA) where: Base-Base interactions energy: -966.886 where: short stacking energy: -402.927 Base-Backbone interact. energy: -1.529 local terms energy: -442.765116 where: bonds (distance) C4'-P energy: -96.278 bonds (distance) P-C4' energy: -82.195 flat angles C4'-P-C4' energy: -90.073 flat angles P-C4'-P energy: -60.836 tors. eta vs tors. theta energy: -113.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -1359.050941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.050941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.050941 (E_RNA) where: Base-Base interactions energy: -931.332 where: short stacking energy: -386.303 Base-Backbone interact. energy: 0.144 local terms energy: -427.863228 where: bonds (distance) C4'-P energy: -83.461 bonds (distance) P-C4' energy: -76.004 flat angles C4'-P-C4' energy: -93.524 flat angles P-C4'-P energy: -57.176 tors. eta vs tors. theta energy: -117.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -1270.797856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.797856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.797856 (E_RNA) where: Base-Base interactions energy: -868.923 where: short stacking energy: -375.642 Base-Backbone interact. energy: -0.855 local terms energy: -401.019843 where: bonds (distance) C4'-P energy: -76.797 bonds (distance) P-C4' energy: -75.616 flat angles C4'-P-C4' energy: -82.124 flat angles P-C4'-P energy: -56.063 tors. eta vs tors. theta energy: -110.419 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: 8 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -1248.512966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.512966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.512966 (E_RNA) where: Base-Base interactions energy: -833.654 where: short stacking energy: -361.944 Base-Backbone interact. energy: -0.363 local terms energy: -414.495990 where: bonds (distance) C4'-P energy: -75.981 bonds (distance) P-C4' energy: -75.866 flat angles C4'-P-C4' energy: -83.743 flat angles P-C4'-P energy: -62.789 tors. eta vs tors. theta energy: -116.118 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: 6 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -1002.636821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.636821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.636821 (E_RNA) where: Base-Base interactions energy: -653.597 where: short stacking energy: -272.066 Base-Backbone interact. energy: -0.024 local terms energy: -349.015146 where: bonds (distance) C4'-P energy: -70.839 bonds (distance) P-C4' energy: -80.307 flat angles C4'-P-C4' energy: -86.083 flat angles P-C4'-P energy: -43.813 tors. eta vs tors. theta energy: -67.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -978.965359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.965359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.965359 (E_RNA) where: Base-Base interactions energy: -647.602 where: short stacking energy: -289.496 Base-Backbone interact. energy: -1.509 local terms energy: -329.854782 where: bonds (distance) C4'-P energy: -69.519 bonds (distance) P-C4' energy: -66.890 flat angles C4'-P-C4' energy: -69.539 flat angles P-C4'-P energy: -49.070 tors. eta vs tors. theta energy: -74.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -963.724554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.724554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.724554 (E_RNA) where: Base-Base interactions energy: -633.720 where: short stacking energy: -273.412 Base-Backbone interact. energy: 2.146 local terms energy: -332.150446 where: bonds (distance) C4'-P energy: -78.527 bonds (distance) P-C4' energy: -74.515 flat angles C4'-P-C4' energy: -81.461 flat angles P-C4'-P energy: -38.053 tors. eta vs tors. theta energy: -59.594 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: 2 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -711.639700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.639700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.639700 (E_RNA) where: Base-Base interactions energy: -414.759 where: short stacking energy: -198.145 Base-Backbone interact. energy: -0.148 local terms energy: -296.732801 where: bonds (distance) C4'-P energy: -66.344 bonds (distance) P-C4' energy: -77.467 flat angles C4'-P-C4' energy: -70.309 flat angles P-C4'-P energy: -38.170 tors. eta vs tors. theta energy: -44.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -331.609813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.609813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.609813 (E_RNA) where: Base-Base interactions energy: -110.879 where: short stacking energy: -92.828 Base-Backbone interact. energy: 2.127 local terms energy: -222.857748 where: bonds (distance) C4'-P energy: -64.649 bonds (distance) P-C4' energy: -80.391 flat angles C4'-P-C4' energy: -61.353 flat angles P-C4'-P energy: -12.057 tors. eta vs tors. theta energy: -4.408 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: 10, replica: 10 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -339.696542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.696542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.696542 (E_RNA) where: Base-Base interactions energy: -131.251 where: short stacking energy: -84.807 Base-Backbone interact. energy: -0.040 local terms energy: -208.405442 where: bonds (distance) C4'-P energy: -68.399 bonds (distance) P-C4' energy: -76.093 flat angles C4'-P-C4' energy: -43.799 flat angles P-C4'-P energy: -42.815 tors. eta vs tors. theta energy: 22.701 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: 3 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -1444.939263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.939263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.939263 (E_RNA) where: Base-Base interactions energy: -1011.343 where: short stacking energy: -411.511 Base-Backbone interact. energy: -1.662 local terms energy: -431.933537 where: bonds (distance) C4'-P energy: -70.819 bonds (distance) P-C4' energy: -81.291 flat angles C4'-P-C4' energy: -84.887 flat angles P-C4'-P energy: -73.271 tors. eta vs tors. theta energy: -121.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -1363.173665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.173665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.173665 (E_RNA) where: Base-Base interactions energy: -939.439 where: short stacking energy: -418.006 Base-Backbone interact. energy: -1.481 local terms energy: -422.252915 where: bonds (distance) C4'-P energy: -78.269 bonds (distance) P-C4' energy: -70.126 flat angles C4'-P-C4' energy: -90.885 flat angles P-C4'-P energy: -56.132 tors. eta vs tors. theta energy: -126.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -1268.538206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.538206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.538206 (E_RNA) where: Base-Base interactions energy: -875.147 where: short stacking energy: -358.373 Base-Backbone interact. energy: -1.435 local terms energy: -391.955867 where: bonds (distance) C4'-P energy: -79.692 bonds (distance) P-C4' energy: -77.869 flat angles C4'-P-C4' energy: -83.016 flat angles P-C4'-P energy: -48.574 tors. eta vs tors. theta energy: -102.805 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: 8 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -1256.920447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.920447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.920447 (E_RNA) where: Base-Base interactions energy: -848.314 where: short stacking energy: -376.290 Base-Backbone interact. energy: -1.508 local terms energy: -407.098486 where: bonds (distance) C4'-P energy: -66.795 bonds (distance) P-C4' energy: -73.322 flat angles C4'-P-C4' energy: -84.449 flat angles P-C4'-P energy: -59.915 tors. eta vs tors. theta energy: -122.618 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: 5, replica: 1 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -1031.879938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.879938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.879938 (E_RNA) where: Base-Base interactions energy: -683.790 where: short stacking energy: -302.553 Base-Backbone interact. energy: 0.941 local terms energy: -349.031093 where: bonds (distance) C4'-P energy: -68.624 bonds (distance) P-C4' energy: -72.210 flat angles C4'-P-C4' energy: -85.026 flat angles P-C4'-P energy: -42.664 tors. eta vs tors. theta energy: -80.508 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: 6 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -973.824488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.824488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.824488 (E_RNA) where: Base-Base interactions energy: -615.581 where: short stacking energy: -261.787 Base-Backbone interact. energy: -2.441 local terms energy: -355.802172 where: bonds (distance) C4'-P energy: -68.888 bonds (distance) P-C4' energy: -82.823 flat angles C4'-P-C4' energy: -83.178 flat angles P-C4'-P energy: -48.144 tors. eta vs tors. theta energy: -72.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -919.432124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.432124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.432124 (E_RNA) where: Base-Base interactions energy: -593.389 where: short stacking energy: -255.703 Base-Backbone interact. energy: -2.133 local terms energy: -323.909448 where: bonds (distance) C4'-P energy: -66.448 bonds (distance) P-C4' energy: -77.753 flat angles C4'-P-C4' energy: -68.936 flat angles P-C4'-P energy: -53.348 tors. eta vs tors. theta energy: -57.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -698.533953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.533953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.533953 (E_RNA) where: Base-Base interactions energy: -418.499 where: short stacking energy: -193.425 Base-Backbone interact. energy: -2.357 local terms energy: -277.678484 where: bonds (distance) C4'-P energy: -64.324 bonds (distance) P-C4' energy: -69.947 flat angles C4'-P-C4' energy: -61.570 flat angles P-C4'-P energy: -39.881 tors. eta vs tors. theta energy: -41.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -408.043772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.043772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.043772 (E_RNA) where: Base-Base interactions energy: -183.031 where: short stacking energy: -131.500 Base-Backbone interact. energy: 7.626 local terms energy: -232.637877 where: bonds (distance) C4'-P energy: -62.585 bonds (distance) P-C4' energy: -80.837 flat angles C4'-P-C4' energy: -45.255 flat angles P-C4'-P energy: -39.396 tors. eta vs tors. theta energy: -4.564 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: 10 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -332.065856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.065856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.065856 (E_RNA) where: Base-Base interactions energy: -128.124 where: short stacking energy: -88.234 Base-Backbone interact. energy: 0.618 local terms energy: -204.559608 where: bonds (distance) C4'-P energy: -62.639 bonds (distance) P-C4' energy: -53.643 flat angles C4'-P-C4' energy: -64.817 flat angles P-C4'-P energy: -29.425 tors. eta vs tors. theta energy: 5.964 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: 1, replica: 3 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -1449.389816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.389816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.389816 (E_RNA) where: Base-Base interactions energy: -1013.158 where: short stacking energy: -420.753 Base-Backbone interact. energy: -2.500 local terms energy: -433.731914 where: bonds (distance) C4'-P energy: -81.589 bonds (distance) P-C4' energy: -85.159 flat angles C4'-P-C4' energy: -88.882 flat angles P-C4'-P energy: -56.944 tors. eta vs tors. theta energy: -121.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -1342.890888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.890888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.890888 (E_RNA) where: Base-Base interactions energy: -912.001 where: short stacking energy: -389.926 Base-Backbone interact. energy: 1.934 local terms energy: -432.823818 where: bonds (distance) C4'-P energy: -80.580 bonds (distance) P-C4' energy: -77.943 flat angles C4'-P-C4' energy: -92.385 flat angles P-C4'-P energy: -60.090 tors. eta vs tors. theta energy: -121.826 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: 9 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -1268.860431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.860431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.860431 (E_RNA) where: Base-Base interactions energy: -861.748 where: short stacking energy: -363.050 Base-Backbone interact. energy: -2.686 local terms energy: -404.426968 where: bonds (distance) C4'-P energy: -78.620 bonds (distance) P-C4' energy: -75.448 flat angles C4'-P-C4' energy: -85.918 flat angles P-C4'-P energy: -49.880 tors. eta vs tors. theta energy: -114.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -1233.501660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.501660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.501660 (E_RNA) where: Base-Base interactions energy: -840.979 where: short stacking energy: -368.044 Base-Backbone interact. energy: -0.314 local terms energy: -392.208670 where: bonds (distance) C4'-P energy: -72.542 bonds (distance) P-C4' energy: -69.328 flat angles C4'-P-C4' energy: -81.906 flat angles P-C4'-P energy: -54.480 tors. eta vs tors. theta energy: -113.953 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: 1 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -1055.256156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.256156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.256156 (E_RNA) where: Base-Base interactions energy: -702.486 where: short stacking energy: -316.423 Base-Backbone interact. energy: 0.164 local terms energy: -352.934436 where: bonds (distance) C4'-P energy: -69.793 bonds (distance) P-C4' energy: -73.750 flat angles C4'-P-C4' energy: -67.548 flat angles P-C4'-P energy: -56.136 tors. eta vs tors. theta energy: -85.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -1022.403515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.403515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.403515 (E_RNA) where: Base-Base interactions energy: -662.362 where: short stacking energy: -300.367 Base-Backbone interact. energy: -1.866 local terms energy: -358.174997 where: bonds (distance) C4'-P energy: -81.031 bonds (distance) P-C4' energy: -69.746 flat angles C4'-P-C4' energy: -83.983 flat angles P-C4'-P energy: -40.017 tors. eta vs tors. theta energy: -83.398 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: 5 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -887.480194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.480194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.480194 (E_RNA) where: Base-Base interactions energy: -550.071 where: short stacking energy: -239.689 Base-Backbone interact. energy: -0.451 local terms energy: -336.957593 where: bonds (distance) C4'-P energy: -69.231 bonds (distance) P-C4' energy: -75.013 flat angles C4'-P-C4' energy: -84.283 flat angles P-C4'-P energy: -48.400 tors. eta vs tors. theta energy: -60.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -722.495144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.495144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.495144 (E_RNA) where: Base-Base interactions energy: -413.050 where: short stacking energy: -210.942 Base-Backbone interact. energy: -1.988 local terms energy: -307.456914 where: bonds (distance) C4'-P energy: -67.238 bonds (distance) P-C4' energy: -67.997 flat angles C4'-P-C4' energy: -82.612 flat angles P-C4'-P energy: -50.673 tors. eta vs tors. theta energy: -38.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -402.351541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.351541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.351541 (E_RNA) where: Base-Base interactions energy: -155.904 where: short stacking energy: -118.349 Base-Backbone interact. energy: -1.300 local terms energy: -245.147617 where: bonds (distance) C4'-P energy: -59.370 bonds (distance) P-C4' energy: -68.105 flat angles C4'-P-C4' energy: -65.350 flat angles P-C4'-P energy: -39.372 tors. eta vs tors. theta energy: -12.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -340.340027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.340027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.340027 (E_RNA) where: Base-Base interactions energy: -117.874 where: short stacking energy: -105.391 Base-Backbone interact. energy: 2.087 local terms energy: -224.552328 where: bonds (distance) C4'-P energy: -72.752 bonds (distance) P-C4' energy: -68.098 flat angles C4'-P-C4' energy: -50.133 flat angles P-C4'-P energy: -33.928 tors. eta vs tors. theta energy: 0.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -1436.007883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.007883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.007883 (E_RNA) where: Base-Base interactions energy: -1025.025 where: short stacking energy: -413.409 Base-Backbone interact. energy: -3.747 local terms energy: -407.236272 where: bonds (distance) C4'-P energy: -77.907 bonds (distance) P-C4' energy: -66.719 flat angles C4'-P-C4' energy: -84.068 flat angles P-C4'-P energy: -61.759 tors. eta vs tors. theta energy: -116.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -1335.571177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.571177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.571177 (E_RNA) where: Base-Base interactions energy: -915.175 where: short stacking energy: -401.356 Base-Backbone interact. energy: -2.824 local terms energy: -417.572053 where: bonds (distance) C4'-P energy: -76.726 bonds (distance) P-C4' energy: -78.565 flat angles C4'-P-C4' energy: -91.857 flat angles P-C4'-P energy: -52.910 tors. eta vs tors. theta energy: -117.514 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: 3, replica: 9 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -1260.775160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.775160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.775160 (E_RNA) where: Base-Base interactions energy: -860.882 where: short stacking energy: -361.457 Base-Backbone interact. energy: -1.294 local terms energy: -398.598899 where: bonds (distance) C4'-P energy: -74.248 bonds (distance) P-C4' energy: -82.074 flat angles C4'-P-C4' energy: -83.853 flat angles P-C4'-P energy: -51.912 tors. eta vs tors. theta energy: -106.512 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: 8 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -1236.288305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.288305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.288305 (E_RNA) where: Base-Base interactions energy: -815.474 where: short stacking energy: -367.907 Base-Backbone interact. energy: -1.058 local terms energy: -419.755343 where: bonds (distance) C4'-P energy: -82.314 bonds (distance) P-C4' energy: -67.561 flat angles C4'-P-C4' energy: -91.135 flat angles P-C4'-P energy: -54.380 tors. eta vs tors. theta energy: -124.366 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: 5, replica: 1 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -1039.360171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.360171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.360171 (E_RNA) where: Base-Base interactions energy: -679.877 where: short stacking energy: -302.804 Base-Backbone interact. energy: 1.078 local terms energy: -360.560736 where: bonds (distance) C4'-P energy: -69.841 bonds (distance) P-C4' energy: -76.618 flat angles C4'-P-C4' energy: -80.330 flat angles P-C4'-P energy: -56.296 tors. eta vs tors. theta energy: -77.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -996.135136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.135136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.135136 (E_RNA) where: Base-Base interactions energy: -642.681 where: short stacking energy: -270.781 Base-Backbone interact. energy: -2.337 local terms energy: -351.117785 where: bonds (distance) C4'-P energy: -73.913 bonds (distance) P-C4' energy: -79.307 flat angles C4'-P-C4' energy: -78.212 flat angles P-C4'-P energy: -45.681 tors. eta vs tors. theta energy: -74.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -885.742310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.742310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.742310 (E_RNA) where: Base-Base interactions energy: -562.139 where: short stacking energy: -227.819 Base-Backbone interact. energy: 1.812 local terms energy: -325.414943 where: bonds (distance) C4'-P energy: -82.720 bonds (distance) P-C4' energy: -73.991 flat angles C4'-P-C4' energy: -69.233 flat angles P-C4'-P energy: -44.376 tors. eta vs tors. theta energy: -55.094 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: 2 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -638.355939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.355939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.355939 (E_RNA) where: Base-Base interactions energy: -356.674 where: short stacking energy: -200.234 Base-Backbone interact. energy: 0.506 local terms energy: -282.188186 where: bonds (distance) C4'-P energy: -69.267 bonds (distance) P-C4' energy: -60.790 flat angles C4'-P-C4' energy: -67.386 flat angles P-C4'-P energy: -43.433 tors. eta vs tors. theta energy: -41.313 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: 4 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -396.792523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.792523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.792523 (E_RNA) where: Base-Base interactions energy: -162.971 where: short stacking energy: -100.791 Base-Backbone interact. energy: 5.395 local terms energy: -239.215927 where: bonds (distance) C4'-P energy: -76.846 bonds (distance) P-C4' energy: -75.616 flat angles C4'-P-C4' energy: -53.465 flat angles P-C4'-P energy: -37.738 tors. eta vs tors. theta energy: 4.448 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: 10, replica: 10 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -353.075173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.075173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.075173 (E_RNA) where: Base-Base interactions energy: -111.232 where: short stacking energy: -102.437 Base-Backbone interact. energy: -0.623 local terms energy: -241.220224 where: bonds (distance) C4'-P energy: -67.373 bonds (distance) P-C4' energy: -69.200 flat angles C4'-P-C4' energy: -56.136 flat angles P-C4'-P energy: -39.517 tors. eta vs tors. theta energy: -8.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -1419.447435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.447435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.447435 (E_RNA) where: Base-Base interactions energy: -994.811 where: short stacking energy: -411.777 Base-Backbone interact. energy: -0.076 local terms energy: -424.559820 where: bonds (distance) C4'-P energy: -84.129 bonds (distance) P-C4' energy: -74.055 flat angles C4'-P-C4' energy: -93.596 flat angles P-C4'-P energy: -59.188 tors. eta vs tors. theta energy: -113.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -1366.904324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.904324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.904324 (E_RNA) where: Base-Base interactions energy: -922.050 where: short stacking energy: -420.011 Base-Backbone interact. energy: -0.821 local terms energy: -444.033413 where: bonds (distance) C4'-P energy: -74.281 bonds (distance) P-C4' energy: -79.623 flat angles C4'-P-C4' energy: -96.650 flat angles P-C4'-P energy: -65.974 tors. eta vs tors. theta energy: -127.506 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: 9 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -1295.225668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.225668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.225668 (E_RNA) where: Base-Base interactions energy: -897.598 where: short stacking energy: -378.357 Base-Backbone interact. energy: -1.594 local terms energy: -396.033704 where: bonds (distance) C4'-P energy: -75.426 bonds (distance) P-C4' energy: -78.131 flat angles C4'-P-C4' energy: -76.536 flat angles P-C4'-P energy: -51.530 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: 8 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -1259.607033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.607033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.607033 (E_RNA) where: Base-Base interactions energy: -860.546 where: short stacking energy: -367.924 Base-Backbone interact. energy: -0.410 local terms energy: -398.650438 where: bonds (distance) C4'-P energy: -79.401 bonds (distance) P-C4' energy: -70.922 flat angles C4'-P-C4' energy: -84.387 flat angles P-C4'-P energy: -47.570 tors. eta vs tors. theta energy: -116.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -1045.582660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.582660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.582660 (E_RNA) where: Base-Base interactions energy: -713.139 where: short stacking energy: -313.613 Base-Backbone interact. energy: 3.377 local terms energy: -335.821293 where: bonds (distance) C4'-P energy: -80.152 bonds (distance) P-C4' energy: -76.449 flat angles C4'-P-C4' energy: -69.096 flat angles P-C4'-P energy: -39.874 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: 6, replica: 6 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -972.488199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.488199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.488199 (E_RNA) where: Base-Base interactions energy: -643.237 where: short stacking energy: -275.343 Base-Backbone interact. energy: 0.236 local terms energy: -329.487427 where: bonds (distance) C4'-P energy: -72.502 bonds (distance) P-C4' energy: -74.652 flat angles C4'-P-C4' energy: -62.923 flat angles P-C4'-P energy: -49.033 tors. eta vs tors. theta energy: -70.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -907.865033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.865033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.865033 (E_RNA) where: Base-Base interactions energy: -586.856 where: short stacking energy: -257.886 Base-Backbone interact. energy: -1.664 local terms energy: -319.345027 where: bonds (distance) C4'-P energy: -66.552 bonds (distance) P-C4' energy: -69.904 flat angles C4'-P-C4' energy: -70.221 flat angles P-C4'-P energy: -45.062 tors. eta vs tors. theta energy: -67.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -653.473013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.473013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.473013 (E_RNA) where: Base-Base interactions energy: -369.038 where: short stacking energy: -186.381 Base-Backbone interact. energy: -1.043 local terms energy: -283.391186 where: bonds (distance) C4'-P energy: -72.598 bonds (distance) P-C4' energy: -67.553 flat angles C4'-P-C4' energy: -79.103 flat angles P-C4'-P energy: -38.356 tors. eta vs tors. theta energy: -25.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -356.407866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.407866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.407866 (E_RNA) where: Base-Base interactions energy: -128.433 where: short stacking energy: -113.786 Base-Backbone interact. energy: -0.854 local terms energy: -227.121714 where: bonds (distance) C4'-P energy: -65.980 bonds (distance) P-C4' energy: -81.611 flat angles C4'-P-C4' energy: -63.830 flat angles P-C4'-P energy: -32.050 tors. eta vs tors. theta energy: 16.350 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: 10, replica: 10 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -346.438002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.438002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.438002 (E_RNA) where: Base-Base interactions energy: -125.665 where: short stacking energy: -82.310 Base-Backbone interact. energy: -0.870 local terms energy: -219.903639 where: bonds (distance) C4'-P energy: -70.000 bonds (distance) P-C4' energy: -67.009 flat angles C4'-P-C4' energy: -64.368 flat angles P-C4'-P energy: -30.643 tors. eta vs tors. theta energy: 12.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -1407.725080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.725080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.725080 (E_RNA) where: Base-Base interactions energy: -989.746 where: short stacking energy: -410.252 Base-Backbone interact. energy: -4.183 local terms energy: -413.795866 where: bonds (distance) C4'-P energy: -76.079 bonds (distance) P-C4' energy: -73.184 flat angles C4'-P-C4' energy: -89.509 flat angles P-C4'-P energy: -58.535 tors. eta vs tors. theta energy: -116.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -1331.533119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.533119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.533119 (E_RNA) where: Base-Base interactions energy: -901.000 where: short stacking energy: -393.145 Base-Backbone interact. energy: -0.080 local terms energy: -430.453156 where: bonds (distance) C4'-P energy: -84.607 bonds (distance) P-C4' energy: -76.086 flat angles C4'-P-C4' energy: -90.508 flat angles P-C4'-P energy: -54.350 tors. eta vs tors. theta energy: -124.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -1288.015780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.015780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.015780 (E_RNA) where: Base-Base interactions energy: -866.989 where: short stacking energy: -373.444 Base-Backbone interact. energy: -0.329 local terms energy: -420.697656 where: bonds (distance) C4'-P energy: -80.325 bonds (distance) P-C4' energy: -78.852 flat angles C4'-P-C4' energy: -91.730 flat angles P-C4'-P energy: -62.961 tors. eta vs tors. theta energy: -106.829 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: 8 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -1244.637506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.637506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.637506 (E_RNA) where: Base-Base interactions energy: -845.163 where: short stacking energy: -357.343 Base-Backbone interact. energy: -1.889 local terms energy: -397.586274 where: bonds (distance) C4'-P energy: -79.984 bonds (distance) P-C4' energy: -62.557 flat angles C4'-P-C4' energy: -86.456 flat angles P-C4'-P energy: -62.481 tors. eta vs tors. theta energy: -106.108 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: 5, replica: 1 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -1037.690179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.690179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.690179 (E_RNA) where: Base-Base interactions energy: -674.079 where: short stacking energy: -284.200 Base-Backbone interact. energy: 0.746 local terms energy: -364.357494 where: bonds (distance) C4'-P energy: -76.637 bonds (distance) P-C4' energy: -80.052 flat angles C4'-P-C4' energy: -79.800 flat angles P-C4'-P energy: -54.635 tors. eta vs tors. theta energy: -73.234 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: 6 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -1011.530441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.530441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.530441 (E_RNA) where: Base-Base interactions energy: -684.221 where: short stacking energy: -303.885 Base-Backbone interact. energy: -1.513 local terms energy: -325.796964 where: bonds (distance) C4'-P energy: -51.824 bonds (distance) P-C4' energy: -70.701 flat angles C4'-P-C4' energy: -82.325 flat angles P-C4'-P energy: -33.264 tors. eta vs tors. theta energy: -87.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -856.990522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.990522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.990522 (E_RNA) where: Base-Base interactions energy: -571.896 where: short stacking energy: -232.432 Base-Backbone interact. energy: -1.922 local terms energy: -283.172326 where: bonds (distance) C4'-P energy: -64.406 bonds (distance) P-C4' energy: -76.484 flat angles C4'-P-C4' energy: -67.439 flat angles P-C4'-P energy: -38.198 tors. eta vs tors. theta energy: -36.645 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: 2 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -656.647860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.647860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.647860 (E_RNA) where: Base-Base interactions energy: -368.276 where: short stacking energy: -186.942 Base-Backbone interact. energy: -0.835 local terms energy: -287.536854 where: bonds (distance) C4'-P energy: -65.463 bonds (distance) P-C4' energy: -74.696 flat angles C4'-P-C4' energy: -78.586 flat angles P-C4'-P energy: -37.131 tors. eta vs tors. theta energy: -31.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -358.035522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.035522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.035522 (E_RNA) where: Base-Base interactions energy: -142.133 where: short stacking energy: -100.883 Base-Backbone interact. energy: -0.298 local terms energy: -215.604103 where: bonds (distance) C4'-P energy: -59.561 bonds (distance) P-C4' energy: -67.491 flat angles C4'-P-C4' energy: -51.453 flat angles P-C4'-P energy: -45.080 tors. eta vs tors. theta energy: 7.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -340.722958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.722958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.722958 (E_RNA) where: Base-Base interactions energy: -120.075 where: short stacking energy: -75.626 Base-Backbone interact. energy: 6.342 local terms energy: -226.990179 where: bonds (distance) C4'-P energy: -65.082 bonds (distance) P-C4' energy: -78.154 flat angles C4'-P-C4' energy: -67.661 flat angles P-C4'-P energy: -34.898 tors. eta vs tors. theta energy: 18.804 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: 395 Temperature: 0.900000 Total energy: -1411.045240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.045240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.045240 (E_RNA) where: Base-Base interactions energy: -989.407 where: short stacking energy: -417.388 Base-Backbone interact. energy: -2.045 local terms energy: -419.593611 where: bonds (distance) C4'-P energy: -76.248 bonds (distance) P-C4' energy: -77.781 flat angles C4'-P-C4' energy: -89.246 flat angles P-C4'-P energy: -59.122 tors. eta vs tors. theta energy: -117.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -1352.276730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.276730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.276730 (E_RNA) where: Base-Base interactions energy: -896.114 where: short stacking energy: -395.408 Base-Backbone interact. energy: -1.628 local terms energy: -454.534553 where: bonds (distance) C4'-P energy: -79.173 bonds (distance) P-C4' energy: -88.117 flat angles C4'-P-C4' energy: -91.121 flat angles P-C4'-P energy: -67.398 tors. eta vs tors. theta energy: -128.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -1301.399221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.399221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.399221 (E_RNA) where: Base-Base interactions energy: -864.130 where: short stacking energy: -373.156 Base-Backbone interact. energy: -1.789 local terms energy: -435.480283 where: bonds (distance) C4'-P energy: -89.030 bonds (distance) P-C4' energy: -82.529 flat angles C4'-P-C4' energy: -90.876 flat angles P-C4'-P energy: -61.825 tors. eta vs tors. theta energy: -111.220 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: 8 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -1233.740313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.740313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.740313 (E_RNA) where: Base-Base interactions energy: -839.725 where: short stacking energy: -374.632 Base-Backbone interact. energy: -1.709 local terms energy: -392.305677 where: bonds (distance) C4'-P energy: -61.398 bonds (distance) P-C4' energy: -75.022 flat angles C4'-P-C4' energy: -82.810 flat angles P-C4'-P energy: -55.341 tors. eta vs tors. theta energy: -117.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -1063.981753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.981753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.981753 (E_RNA) where: Base-Base interactions energy: -704.301 where: short stacking energy: -315.182 Base-Backbone interact. energy: -1.973 local terms energy: -357.708052 where: bonds (distance) C4'-P energy: -77.871 bonds (distance) P-C4' energy: -72.373 flat angles C4'-P-C4' energy: -76.140 flat angles P-C4'-P energy: -54.406 tors. eta vs tors. theta energy: -76.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -1010.034495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.034495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.034495 (E_RNA) where: Base-Base interactions energy: -654.895 where: short stacking energy: -293.225 Base-Backbone interact. energy: -1.711 local terms energy: -353.428784 where: bonds (distance) C4'-P energy: -64.861 bonds (distance) P-C4' energy: -64.567 flat angles C4'-P-C4' energy: -82.284 flat angles P-C4'-P energy: -56.232 tors. eta vs tors. theta energy: -85.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -877.401799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.401799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.401799 (E_RNA) where: Base-Base interactions energy: -554.494 where: short stacking energy: -238.890 Base-Backbone interact. energy: 0.931 local terms energy: -323.839648 where: bonds (distance) C4'-P energy: -71.555 bonds (distance) P-C4' energy: -80.137 flat angles C4'-P-C4' energy: -69.384 flat angles P-C4'-P energy: -40.423 tors. eta vs tors. theta energy: -62.340 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: 8, replica: 2 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -632.102573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.102573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.102573 (E_RNA) where: Base-Base interactions energy: -339.701 where: short stacking energy: -182.226 Base-Backbone interact. energy: -0.438 local terms energy: -291.963907 where: bonds (distance) C4'-P energy: -69.283 bonds (distance) P-C4' energy: -63.213 flat angles C4'-P-C4' energy: -69.368 flat angles P-C4'-P energy: -57.566 tors. eta vs tors. theta energy: -32.533 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: 9, replica: 10 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -380.794587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.794587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.794587 (E_RNA) where: Base-Base interactions energy: -167.085 where: short stacking energy: -94.757 Base-Backbone interact. energy: 1.352 local terms energy: -215.061390 where: bonds (distance) C4'-P energy: -51.504 bonds (distance) P-C4' energy: -61.968 flat angles C4'-P-C4' energy: -63.740 flat angles P-C4'-P energy: -41.173 tors. eta vs tors. theta energy: 3.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -307.786723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.786723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.786723 (E_RNA) where: Base-Base interactions energy: -114.038 where: short stacking energy: -91.197 Base-Backbone interact. energy: -2.261 local terms energy: -191.488014 where: bonds (distance) C4'-P energy: -60.852 bonds (distance) P-C4' energy: -62.878 flat angles C4'-P-C4' energy: -49.232 flat angles P-C4'-P energy: -21.787 tors. eta vs tors. theta energy: 3.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -1387.722316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.722316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.722316 (E_RNA) where: Base-Base interactions energy: -943.663 where: short stacking energy: -406.461 Base-Backbone interact. energy: -2.192 local terms energy: -441.867212 where: bonds (distance) C4'-P energy: -68.447 bonds (distance) P-C4' energy: -89.947 flat angles C4'-P-C4' energy: -92.005 flat angles P-C4'-P energy: -65.956 tors. eta vs tors. theta energy: -125.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -1317.626532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.626532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.626532 (E_RNA) where: Base-Base interactions energy: -911.062 where: short stacking energy: -381.024 Base-Backbone interact. energy: -4.324 local terms energy: -402.241381 where: bonds (distance) C4'-P energy: -67.522 bonds (distance) P-C4' energy: -85.485 flat angles C4'-P-C4' energy: -83.385 flat angles P-C4'-P energy: -55.857 tors. eta vs tors. theta energy: -109.993 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: 396 Temperature: 1.000000 Total energy: -1264.650610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.650610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.650610 (E_RNA) where: Base-Base interactions energy: -850.164 where: short stacking energy: -349.391 Base-Backbone interact. energy: -4.671 local terms energy: -409.815358 where: bonds (distance) C4'-P energy: -77.825 bonds (distance) P-C4' energy: -83.680 flat angles C4'-P-C4' energy: -94.915 flat angles P-C4'-P energy: -55.336 tors. eta vs tors. theta energy: -98.060 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: 8 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -1242.706708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.706708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.706708 (E_RNA) where: Base-Base interactions energy: -825.329 where: short stacking energy: -377.347 Base-Backbone interact. energy: -0.843 local terms energy: -416.534732 where: bonds (distance) C4'-P energy: -84.520 bonds (distance) P-C4' energy: -69.694 flat angles C4'-P-C4' energy: -88.194 flat angles P-C4'-P energy: -58.905 tors. eta vs tors. theta energy: -115.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -1060.622296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.622296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.622296 (E_RNA) where: Base-Base interactions energy: -701.165 where: short stacking energy: -289.384 Base-Backbone interact. energy: 0.163 local terms energy: -359.620439 where: bonds (distance) C4'-P energy: -57.979 bonds (distance) P-C4' energy: -90.582 flat angles C4'-P-C4' energy: -81.362 flat angles P-C4'-P energy: -48.010 tors. eta vs tors. theta energy: -81.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -1000.707995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.707995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.707995 (E_RNA) where: Base-Base interactions energy: -660.078 where: short stacking energy: -302.784 Base-Backbone interact. energy: -0.451 local terms energy: -340.179536 where: bonds (distance) C4'-P energy: -66.864 bonds (distance) P-C4' energy: -67.935 flat angles C4'-P-C4' energy: -74.556 flat angles P-C4'-P energy: -53.753 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: 5 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -846.507872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.507872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.507872 (E_RNA) where: Base-Base interactions energy: -541.450 where: short stacking energy: -239.823 Base-Backbone interact. energy: 0.020 local terms energy: -305.077913 where: bonds (distance) C4'-P energy: -74.098 bonds (distance) P-C4' energy: -65.520 flat angles C4'-P-C4' energy: -73.382 flat angles P-C4'-P energy: -38.192 tors. eta vs tors. theta energy: -53.885 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: 2 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -627.220750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.220750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.220750 (E_RNA) where: Base-Base interactions energy: -346.152 where: short stacking energy: -164.654 Base-Backbone interact. energy: -0.441 local terms energy: -280.627861 where: bonds (distance) C4'-P energy: -69.858 bonds (distance) P-C4' energy: -68.558 flat angles C4'-P-C4' energy: -62.701 flat angles P-C4'-P energy: -55.809 tors. eta vs tors. theta energy: -23.702 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: 10 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -393.217652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.217652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.217652 (E_RNA) where: Base-Base interactions energy: -166.785 where: short stacking energy: -101.798 Base-Backbone interact. energy: 3.018 local terms energy: -229.450547 where: bonds (distance) C4'-P energy: -68.524 bonds (distance) P-C4' energy: -73.749 flat angles C4'-P-C4' energy: -63.933 flat angles P-C4'-P energy: -33.609 tors. eta vs tors. theta energy: 10.365 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: 4 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -314.718003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.718003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.718003 (E_RNA) where: Base-Base interactions energy: -99.019 where: short stacking energy: -71.902 Base-Backbone interact. energy: -2.667 local terms energy: -213.032012 where: bonds (distance) C4'-P energy: -68.605 bonds (distance) P-C4' energy: -74.881 flat angles C4'-P-C4' energy: -57.826 flat angles P-C4'-P energy: -29.309 tors. eta vs tors. theta energy: 17.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -1384.140910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.140910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.140910 (E_RNA) where: Base-Base interactions energy: -966.985 where: short stacking energy: -403.346 Base-Backbone interact. energy: -0.966 local terms energy: -416.189976 where: bonds (distance) C4'-P energy: -57.308 bonds (distance) P-C4' energy: -81.955 flat angles C4'-P-C4' energy: -88.169 flat angles P-C4'-P energy: -64.125 tors. eta vs tors. theta energy: -124.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -1306.122316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.122316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.122316 (E_RNA) where: Base-Base interactions energy: -893.863 where: short stacking energy: -377.904 Base-Backbone interact. energy: -1.539 local terms energy: -410.720390 where: bonds (distance) C4'-P energy: -73.950 bonds (distance) P-C4' energy: -83.104 flat angles C4'-P-C4' energy: -83.232 flat angles P-C4'-P energy: -59.704 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: 3, replica: 9 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -1249.112738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.112738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.112738 (E_RNA) where: Base-Base interactions energy: -866.533 where: short stacking energy: -352.533 Base-Backbone interact. energy: -0.755 local terms energy: -381.825176 where: bonds (distance) C4'-P energy: -78.294 bonds (distance) P-C4' energy: -79.780 flat angles C4'-P-C4' energy: -78.709 flat angles P-C4'-P energy: -45.821 tors. eta vs tors. theta energy: -99.221 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: 8 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -1254.189100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.189100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.189100 (E_RNA) where: Base-Base interactions energy: -837.296 where: short stacking energy: -359.385 Base-Backbone interact. energy: -0.321 local terms energy: -416.572386 where: bonds (distance) C4'-P energy: -71.444 bonds (distance) P-C4' energy: -84.398 flat angles C4'-P-C4' energy: -78.894 flat angles P-C4'-P energy: -63.464 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: 5, replica: 1 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -1071.561985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.561985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.561985 (E_RNA) where: Base-Base interactions energy: -714.623 where: short stacking energy: -298.025 Base-Backbone interact. energy: 0.797 local terms energy: -357.735619 where: bonds (distance) C4'-P energy: -73.772 bonds (distance) P-C4' energy: -79.369 flat angles C4'-P-C4' energy: -79.103 flat angles P-C4'-P energy: -47.435 tors. eta vs tors. theta energy: -78.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -998.534901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.534901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.534901 (E_RNA) where: Base-Base interactions energy: -646.080 where: short stacking energy: -285.024 Base-Backbone interact. energy: 1.316 local terms energy: -353.770545 where: bonds (distance) C4'-P energy: -73.682 bonds (distance) P-C4' energy: -83.169 flat angles C4'-P-C4' energy: -73.844 flat angles P-C4'-P energy: -49.357 tors. eta vs tors. theta energy: -73.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -837.751146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.751146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.751146 (E_RNA) where: Base-Base interactions energy: -516.314 where: short stacking energy: -249.628 Base-Backbone interact. energy: -3.223 local terms energy: -318.214048 where: bonds (distance) C4'-P energy: -72.450 bonds (distance) P-C4' energy: -68.917 flat angles C4'-P-C4' energy: -70.637 flat angles P-C4'-P energy: -47.472 tors. eta vs tors. theta energy: -58.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -656.973927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.973927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.973927 (E_RNA) where: Base-Base interactions energy: -378.790 where: short stacking energy: -197.143 Base-Backbone interact. energy: 0.520 local terms energy: -278.704071 where: bonds (distance) C4'-P energy: -70.573 bonds (distance) P-C4' energy: -63.067 flat angles C4'-P-C4' energy: -71.773 flat angles P-C4'-P energy: -25.874 tors. eta vs tors. theta energy: -47.417 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: 10 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -399.033981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.033981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.033981 (E_RNA) where: Base-Base interactions energy: -169.177 where: short stacking energy: -130.481 Base-Backbone interact. energy: -0.760 local terms energy: -229.096461 where: bonds (distance) C4'-P energy: -62.510 bonds (distance) P-C4' energy: -68.463 flat angles C4'-P-C4' energy: -59.214 flat angles P-C4'-P energy: -40.439 tors. eta vs tors. theta energy: 1.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -337.779137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.779137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.779137 (E_RNA) where: Base-Base interactions energy: -116.962 where: short stacking energy: -92.379 Base-Backbone interact. energy: -3.799 local terms energy: -217.017539 where: bonds (distance) C4'-P energy: -59.808 bonds (distance) P-C4' energy: -74.770 flat angles C4'-P-C4' energy: -58.909 flat angles P-C4'-P energy: -38.869 tors. eta vs tors. theta energy: 15.339 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: 7 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -1378.566103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.566103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.566103 (E_RNA) where: Base-Base interactions energy: -933.072 where: short stacking energy: -410.747 Base-Backbone interact. energy: -1.576 local terms energy: -443.917774 where: bonds (distance) C4'-P energy: -77.915 bonds (distance) P-C4' energy: -87.112 flat angles C4'-P-C4' energy: -97.413 flat angles P-C4'-P energy: -57.305 tors. eta vs tors. theta energy: -124.173 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: 2, replica: 3 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -1327.221320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.221320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.221320 (E_RNA) where: Base-Base interactions energy: -902.543 where: short stacking energy: -398.929 Base-Backbone interact. energy: -2.012 local terms energy: -422.666592 where: bonds (distance) C4'-P energy: -76.986 bonds (distance) P-C4' energy: -88.989 flat angles C4'-P-C4' energy: -81.412 flat angles P-C4'-P energy: -57.598 tors. eta vs tors. theta energy: -117.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -1261.957955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.957955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.957955 (E_RNA) where: Base-Base interactions energy: -841.095 where: short stacking energy: -399.468 Base-Backbone interact. energy: -0.580 local terms energy: -420.283331 where: bonds (distance) C4'-P energy: -76.810 bonds (distance) P-C4' energy: -87.467 flat angles C4'-P-C4' energy: -75.781 flat angles P-C4'-P energy: -60.614 tors. eta vs tors. theta energy: -119.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -1239.141697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.141697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.141697 (E_RNA) where: Base-Base interactions energy: -836.572 where: short stacking energy: -380.322 Base-Backbone interact. energy: -0.435 local terms energy: -402.133957 where: bonds (distance) C4'-P energy: -62.986 bonds (distance) P-C4' energy: -66.377 flat angles C4'-P-C4' energy: -91.450 flat angles P-C4'-P energy: -58.403 tors. eta vs tors. theta energy: -122.918 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: 6 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -1066.910581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.910581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.910581 (E_RNA) where: Base-Base interactions energy: -710.955 where: short stacking energy: -321.134 Base-Backbone interact. energy: -1.681 local terms energy: -354.274373 where: bonds (distance) C4'-P energy: -64.458 bonds (distance) P-C4' energy: -76.158 flat angles C4'-P-C4' energy: -71.975 flat angles P-C4'-P energy: -53.504 tors. eta vs tors. theta energy: -88.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -1024.363306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.363306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.363306 (E_RNA) where: Base-Base interactions energy: -673.266 where: short stacking energy: -301.355 Base-Backbone interact. energy: -3.166 local terms energy: -347.931331 where: bonds (distance) C4'-P energy: -74.309 bonds (distance) P-C4' energy: -65.200 flat angles C4'-P-C4' energy: -82.912 flat angles P-C4'-P energy: -48.008 tors. eta vs tors. theta energy: -77.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -803.990736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.990736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.990736 (E_RNA) where: Base-Base interactions energy: -523.532 where: short stacking energy: -236.726 Base-Backbone interact. energy: -1.851 local terms energy: -278.607268 where: bonds (distance) C4'-P energy: -52.148 bonds (distance) P-C4' energy: -68.504 flat angles C4'-P-C4' energy: -60.119 flat angles P-C4'-P energy: -47.153 tors. eta vs tors. theta energy: -50.684 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: 8, replica: 2 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -646.723182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.723182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.723182 (E_RNA) where: Base-Base interactions energy: -370.578 where: short stacking energy: -195.813 Base-Backbone interact. energy: -1.316 local terms energy: -274.829222 where: bonds (distance) C4'-P energy: -65.340 bonds (distance) P-C4' energy: -60.134 flat angles C4'-P-C4' energy: -70.531 flat angles P-C4'-P energy: -40.522 tors. eta vs tors. theta energy: -38.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -424.663510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.663510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.663510 (E_RNA) where: Base-Base interactions energy: -171.579 where: short stacking energy: -120.684 Base-Backbone interact. energy: 0.734 local terms energy: -253.818432 where: bonds (distance) C4'-P energy: -68.458 bonds (distance) P-C4' energy: -85.735 flat angles C4'-P-C4' energy: -50.535 flat angles P-C4'-P energy: -44.827 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: 10, replica: 4 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -367.799600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.799600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.799600 (E_RNA) where: Base-Base interactions energy: -159.501 where: short stacking energy: -124.217 Base-Backbone interact. energy: -0.587 local terms energy: -207.711347 where: bonds (distance) C4'-P energy: -67.334 bonds (distance) P-C4' energy: -61.821 flat angles C4'-P-C4' energy: -55.655 flat angles P-C4'-P energy: -30.187 tors. eta vs tors. theta energy: 7.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -1371.965898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.965898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.965898 (E_RNA) where: Base-Base interactions energy: -939.094 where: short stacking energy: -414.665 Base-Backbone interact. energy: -1.309 local terms energy: -431.562452 where: bonds (distance) C4'-P energy: -76.611 bonds (distance) P-C4' energy: -75.783 flat angles C4'-P-C4' energy: -92.107 flat angles P-C4'-P energy: -65.859 tors. eta vs tors. theta energy: -121.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -1335.375372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.375372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.375372 (E_RNA) where: Base-Base interactions energy: -914.848 where: short stacking energy: -382.571 Base-Backbone interact. energy: 0.906 local terms energy: -421.432703 where: bonds (distance) C4'-P energy: -73.310 bonds (distance) P-C4' energy: -78.701 flat angles C4'-P-C4' energy: -93.847 flat angles P-C4'-P energy: -69.398 tors. eta vs tors. theta energy: -106.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -1263.945134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.945134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.945134 (E_RNA) where: Base-Base interactions energy: -850.391 where: short stacking energy: -355.530 Base-Backbone interact. energy: -2.837 local terms energy: -410.717260 where: bonds (distance) C4'-P energy: -73.779 bonds (distance) P-C4' energy: -81.891 flat angles C4'-P-C4' energy: -94.384 flat angles P-C4'-P energy: -60.312 tors. eta vs tors. theta energy: -100.351 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: 8 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -1269.022359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.022359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.022359 (E_RNA) where: Base-Base interactions energy: -845.747 where: short stacking energy: -371.928 Base-Backbone interact. energy: -1.362 local terms energy: -421.912753 where: bonds (distance) C4'-P energy: -79.060 bonds (distance) P-C4' energy: -75.015 flat angles C4'-P-C4' energy: -88.913 flat angles P-C4'-P energy: -60.961 tors. eta vs tors. theta energy: -117.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -1066.759656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.759656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.759656 (E_RNA) where: Base-Base interactions energy: -693.114 where: short stacking energy: -300.807 Base-Backbone interact. energy: -1.383 local terms energy: -372.262862 where: bonds (distance) C4'-P energy: -79.950 bonds (distance) P-C4' energy: -73.382 flat angles C4'-P-C4' energy: -79.827 flat angles P-C4'-P energy: -43.635 tors. eta vs tors. theta energy: -95.469 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: 1 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -957.722448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.722448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.722448 (E_RNA) where: Base-Base interactions energy: -633.135 where: short stacking energy: -269.467 Base-Backbone interact. energy: -0.934 local terms energy: -323.652932 where: bonds (distance) C4'-P energy: -65.989 bonds (distance) P-C4' energy: -71.184 flat angles C4'-P-C4' energy: -79.430 flat angles P-C4'-P energy: -42.439 tors. eta vs tors. theta energy: -64.610 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: 7, replica: 5 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -817.328225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.328225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.328225 (E_RNA) where: Base-Base interactions energy: -510.055 where: short stacking energy: -233.539 Base-Backbone interact. energy: 1.245 local terms energy: -308.518380 where: bonds (distance) C4'-P energy: -74.862 bonds (distance) P-C4' energy: -67.468 flat angles C4'-P-C4' energy: -61.898 flat angles P-C4'-P energy: -47.538 tors. eta vs tors. theta energy: -56.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -650.575863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.575863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.575863 (E_RNA) where: Base-Base interactions energy: -372.123 where: short stacking energy: -183.807 Base-Backbone interact. energy: 2.911 local terms energy: -281.363505 where: bonds (distance) C4'-P energy: -61.353 bonds (distance) P-C4' energy: -69.684 flat angles C4'-P-C4' energy: -84.432 flat angles P-C4'-P energy: -36.505 tors. eta vs tors. theta energy: -29.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -418.627004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.627004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.627004 (E_RNA) where: Base-Base interactions energy: -179.936 where: short stacking energy: -108.604 Base-Backbone interact. energy: -0.763 local terms energy: -237.928403 where: bonds (distance) C4'-P energy: -67.257 bonds (distance) P-C4' energy: -68.593 flat angles C4'-P-C4' energy: -62.880 flat angles P-C4'-P energy: -39.673 tors. eta vs tors. theta energy: 0.474 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: 10, replica: 4 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -381.047170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.047170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.047170 (E_RNA) where: Base-Base interactions energy: -162.030 where: short stacking energy: -115.347 Base-Backbone interact. energy: -0.672 local terms energy: -218.345459 where: bonds (distance) C4'-P energy: -58.691 bonds (distance) P-C4' energy: -76.366 flat angles C4'-P-C4' energy: -65.529 flat angles P-C4'-P energy: -27.717 tors. eta vs tors. theta energy: 9.957 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: 7 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -1365.664773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.664773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.664773 (E_RNA) where: Base-Base interactions energy: -930.518 where: short stacking energy: -398.941 Base-Backbone interact. energy: -0.819 local terms energy: -434.328500 where: bonds (distance) C4'-P energy: -91.747 bonds (distance) P-C4' energy: -81.096 flat angles C4'-P-C4' energy: -85.661 flat angles P-C4'-P energy: -50.908 tors. eta vs tors. theta energy: -124.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -1371.056465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.056465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.056465 (E_RNA) where: Base-Base interactions energy: -948.443 where: short stacking energy: -416.628 Base-Backbone interact. energy: 0.256 local terms energy: -422.870079 where: bonds (distance) C4'-P energy: -75.401 bonds (distance) P-C4' energy: -85.197 flat angles C4'-P-C4' energy: -83.656 flat angles P-C4'-P energy: -61.674 tors. eta vs tors. theta energy: -116.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -1276.235728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.235728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.235728 (E_RNA) where: Base-Base interactions energy: -898.204 where: short stacking energy: -376.818 Base-Backbone interact. energy: -0.675 local terms energy: -377.357493 where: bonds (distance) C4'-P energy: -67.325 bonds (distance) P-C4' energy: -78.929 flat angles C4'-P-C4' energy: -75.049 flat angles P-C4'-P energy: -45.452 tors. eta vs tors. theta energy: -110.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -1226.739551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.739551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.739551 (E_RNA) where: Base-Base interactions energy: -820.997 where: short stacking energy: -366.355 Base-Backbone interact. energy: -0.488 local terms energy: -405.254127 where: bonds (distance) C4'-P energy: -76.437 bonds (distance) P-C4' energy: -80.961 flat angles C4'-P-C4' energy: -75.584 flat angles P-C4'-P energy: -58.617 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: 6 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -1107.840969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.840969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.840969 (E_RNA) where: Base-Base interactions energy: -738.194 where: short stacking energy: -323.688 Base-Backbone interact. energy: 0.753 local terms energy: -370.399583 where: bonds (distance) C4'-P energy: -69.759 bonds (distance) P-C4' energy: -83.674 flat angles C4'-P-C4' energy: -73.317 flat angles P-C4'-P energy: -45.982 tors. eta vs tors. theta energy: -97.668 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: 6, replica: 1 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -1007.637815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.637815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.637815 (E_RNA) where: Base-Base interactions energy: -695.944 where: short stacking energy: -313.673 Base-Backbone interact. energy: -0.561 local terms energy: -311.133318 where: bonds (distance) C4'-P energy: -65.838 bonds (distance) P-C4' energy: -48.304 flat angles C4'-P-C4' energy: -75.558 flat angles P-C4'-P energy: -42.584 tors. eta vs tors. theta energy: -78.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -872.442774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.442774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.442774 (E_RNA) where: Base-Base interactions energy: -549.887 where: short stacking energy: -258.189 Base-Backbone interact. energy: 0.427 local terms energy: -322.982081 where: bonds (distance) C4'-P energy: -82.240 bonds (distance) P-C4' energy: -66.114 flat angles C4'-P-C4' energy: -63.529 flat angles P-C4'-P energy: -48.670 tors. eta vs tors. theta energy: -62.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -683.683548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.683548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.683548 (E_RNA) where: Base-Base interactions energy: -394.420 where: short stacking energy: -206.758 Base-Backbone interact. energy: -0.040 local terms energy: -289.223734 where: bonds (distance) C4'-P energy: -67.627 bonds (distance) P-C4' energy: -77.720 flat angles C4'-P-C4' energy: -67.297 flat angles P-C4'-P energy: -30.238 tors. eta vs tors. theta energy: -46.343 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: 4 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -397.985713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.985713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.985713 (E_RNA) where: Base-Base interactions energy: -152.116 where: short stacking energy: -118.180 Base-Backbone interact. energy: -1.561 local terms energy: -244.309622 where: bonds (distance) C4'-P energy: -62.495 bonds (distance) P-C4' energy: -59.335 flat angles C4'-P-C4' energy: -63.932 flat angles P-C4'-P energy: -44.038 tors. eta vs tors. theta energy: -14.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -423.230070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.230070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.230070 (E_RNA) where: Base-Base interactions energy: -195.824 where: short stacking energy: -105.938 Base-Backbone interact. energy: -0.019 local terms energy: -227.387078 where: bonds (distance) C4'-P energy: -65.616 bonds (distance) P-C4' energy: -77.090 flat angles C4'-P-C4' energy: -56.011 flat angles P-C4'-P energy: -31.234 tors. eta vs tors. theta energy: 2.563 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: 7 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -1371.295550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.295550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.295550 (E_RNA) where: Base-Base interactions energy: -932.305 where: short stacking energy: -398.684 Base-Backbone interact. energy: 0.432 local terms energy: -439.422804 where: bonds (distance) C4'-P energy: -84.179 bonds (distance) P-C4' energy: -74.640 flat angles C4'-P-C4' energy: -91.265 flat angles P-C4'-P energy: -54.090 tors. eta vs tors. theta energy: -135.248 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: 401 Temperature: 0.950000 Total energy: -1382.523251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.523251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.523251 (E_RNA) where: Base-Base interactions energy: -957.633 where: short stacking energy: -421.402 Base-Backbone interact. energy: -4.266 local terms energy: -420.623882 where: bonds (distance) C4'-P energy: -77.458 bonds (distance) P-C4' energy: -73.148 flat angles C4'-P-C4' energy: -88.027 flat angles P-C4'-P energy: -64.824 tors. eta vs tors. theta energy: -117.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -1261.655412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.655412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.655412 (E_RNA) where: Base-Base interactions energy: -875.620 where: short stacking energy: -360.576 Base-Backbone interact. energy: -2.170 local terms energy: -383.865418 where: bonds (distance) C4'-P energy: -68.228 bonds (distance) P-C4' energy: -70.338 flat angles C4'-P-C4' energy: -82.196 flat angles P-C4'-P energy: -56.847 tors. eta vs tors. theta energy: -106.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -1250.988259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.988259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.988259 (E_RNA) where: Base-Base interactions energy: -833.309 where: short stacking energy: -385.305 Base-Backbone interact. energy: 2.617 local terms energy: -420.295533 where: bonds (distance) C4'-P energy: -67.540 bonds (distance) P-C4' energy: -73.246 flat angles C4'-P-C4' energy: -93.657 flat angles P-C4'-P energy: -56.513 tors. eta vs tors. theta energy: -129.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -1117.458601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.458601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.458601 (E_RNA) where: Base-Base interactions energy: -722.466 where: short stacking energy: -331.730 Base-Backbone interact. energy: -1.839 local terms energy: -393.153864 where: bonds (distance) C4'-P energy: -82.059 bonds (distance) P-C4' energy: -74.514 flat angles C4'-P-C4' energy: -84.194 flat angles P-C4'-P energy: -48.707 tors. eta vs tors. theta energy: -103.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -960.142835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.142835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.142835 (E_RNA) where: Base-Base interactions energy: -618.989 where: short stacking energy: -267.600 Base-Backbone interact. energy: 0.176 local terms energy: -341.329375 where: bonds (distance) C4'-P energy: -72.989 bonds (distance) P-C4' energy: -71.515 flat angles C4'-P-C4' energy: -77.565 flat angles P-C4'-P energy: -43.688 tors. eta vs tors. theta energy: -75.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -850.472740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.472740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.472740 (E_RNA) where: Base-Base interactions energy: -541.058 where: short stacking energy: -235.256 Base-Backbone interact. energy: -3.149 local terms energy: -306.265791 where: bonds (distance) C4'-P energy: -70.364 bonds (distance) P-C4' energy: -63.931 flat angles C4'-P-C4' energy: -80.007 flat angles P-C4'-P energy: -44.111 tors. eta vs tors. theta energy: -47.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -650.269345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.269345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.269345 (E_RNA) where: Base-Base interactions energy: -387.421 where: short stacking energy: -200.345 Base-Backbone interact. energy: -0.305 local terms energy: -262.543023 where: bonds (distance) C4'-P energy: -62.100 bonds (distance) P-C4' energy: -70.052 flat angles C4'-P-C4' energy: -55.818 flat angles P-C4'-P energy: -39.515 tors. eta vs tors. theta energy: -35.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -389.056237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.056237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.056237 (E_RNA) where: Base-Base interactions energy: -151.488 where: short stacking energy: -110.480 Base-Backbone interact. energy: 1.339 local terms energy: -238.907050 where: bonds (distance) C4'-P energy: -60.426 bonds (distance) P-C4' energy: -80.044 flat angles C4'-P-C4' energy: -56.746 flat angles P-C4'-P energy: -43.345 tors. eta vs tors. theta energy: 1.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -420.542660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.542660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.542660 (E_RNA) where: Base-Base interactions energy: -204.454 where: short stacking energy: -96.214 Base-Backbone interact. energy: -0.339 local terms energy: -215.749971 where: bonds (distance) C4'-P energy: -70.548 bonds (distance) P-C4' energy: -71.327 flat angles C4'-P-C4' energy: -52.015 flat angles P-C4'-P energy: -42.624 tors. eta vs tors. theta energy: 20.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -1386.262566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.262566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.262566 (E_RNA) where: Base-Base interactions energy: -946.983 where: short stacking energy: -422.005 Base-Backbone interact. energy: -1.101 local terms energy: -438.178339 where: bonds (distance) C4'-P energy: -74.286 bonds (distance) P-C4' energy: -83.547 flat angles C4'-P-C4' energy: -90.311 flat angles P-C4'-P energy: -63.166 tors. eta vs tors. theta energy: -126.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -1375.650135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.650135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.650135 (E_RNA) where: Base-Base interactions energy: -951.210 where: short stacking energy: -418.954 Base-Backbone interact. energy: -1.670 local terms energy: -422.769624 where: bonds (distance) C4'-P energy: -80.509 bonds (distance) P-C4' energy: -79.408 flat angles C4'-P-C4' energy: -87.124 flat angles P-C4'-P energy: -57.413 tors. eta vs tors. theta energy: -118.316 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: 3, replica: 9 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -1263.495317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.495317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.495317 (E_RNA) where: Base-Base interactions energy: -860.888 where: short stacking energy: -354.883 Base-Backbone interact. energy: 0.316 local terms energy: -402.923032 where: bonds (distance) C4'-P energy: -76.091 bonds (distance) P-C4' energy: -78.138 flat angles C4'-P-C4' energy: -88.438 flat angles P-C4'-P energy: -58.452 tors. eta vs tors. theta energy: -101.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -1242.001176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.001176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.001176 (E_RNA) where: Base-Base interactions energy: -832.465 where: short stacking energy: -386.839 Base-Backbone interact. energy: -1.463 local terms energy: -408.074012 where: bonds (distance) C4'-P energy: -63.728 bonds (distance) P-C4' energy: -76.272 flat angles C4'-P-C4' energy: -88.750 flat angles P-C4'-P energy: -56.336 tors. eta vs tors. theta energy: -122.987 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: 5, replica: 6 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -1098.917620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.917620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.917620 (E_RNA) where: Base-Base interactions energy: -731.977 where: short stacking energy: -339.668 Base-Backbone interact. energy: -1.756 local terms energy: -365.184326 where: bonds (distance) C4'-P energy: -70.085 bonds (distance) P-C4' energy: -67.822 flat angles C4'-P-C4' energy: -86.996 flat angles P-C4'-P energy: -40.666 tors. eta vs tors. theta energy: -99.616 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: 1 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -942.912501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.912501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.912501 (E_RNA) where: Base-Base interactions energy: -629.817 where: short stacking energy: -272.292 Base-Backbone interact. energy: -1.207 local terms energy: -311.888848 where: bonds (distance) C4'-P energy: -60.436 bonds (distance) P-C4' energy: -65.515 flat angles C4'-P-C4' energy: -79.457 flat angles P-C4'-P energy: -45.917 tors. eta vs tors. theta energy: -60.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -859.504907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.504907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.504907 (E_RNA) where: Base-Base interactions energy: -552.000 where: short stacking energy: -244.104 Base-Backbone interact. energy: 0.136 local terms energy: -307.641292 where: bonds (distance) C4'-P energy: -74.057 bonds (distance) P-C4' energy: -62.499 flat angles C4'-P-C4' energy: -77.715 flat angles P-C4'-P energy: -42.572 tors. eta vs tors. theta energy: -50.798 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: 2 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -627.613211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.613211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.613211 (E_RNA) where: Base-Base interactions energy: -346.897 where: short stacking energy: -181.233 Base-Backbone interact. energy: 0.823 local terms energy: -281.539462 where: bonds (distance) C4'-P energy: -77.284 bonds (distance) P-C4' energy: -78.023 flat angles C4'-P-C4' energy: -66.517 flat angles P-C4'-P energy: -31.593 tors. eta vs tors. theta energy: -28.123 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: 10 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -458.190183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.190183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.190183 (E_RNA) where: Base-Base interactions energy: -223.353 where: short stacking energy: -123.354 Base-Backbone interact. energy: 2.010 local terms energy: -236.846996 where: bonds (distance) C4'-P energy: -59.671 bonds (distance) P-C4' energy: -66.657 flat angles C4'-P-C4' energy: -63.212 flat angles P-C4'-P energy: -51.583 tors. eta vs tors. theta energy: 4.276 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: 4 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -334.745435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.745435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.745435 (E_RNA) where: Base-Base interactions energy: -119.402 where: short stacking energy: -85.535 Base-Backbone interact. energy: -0.409 local terms energy: -214.933699 where: bonds (distance) C4'-P energy: -67.184 bonds (distance) P-C4' energy: -73.993 flat angles C4'-P-C4' energy: -64.481 flat angles P-C4'-P energy: -29.592 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: 1, replica: 7 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -1374.911970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.911970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.911970 (E_RNA) where: Base-Base interactions energy: -929.458 where: short stacking energy: -402.527 Base-Backbone interact. energy: -1.124 local terms energy: -444.330520 where: bonds (distance) C4'-P energy: -87.219 bonds (distance) P-C4' energy: -80.443 flat angles C4'-P-C4' energy: -87.129 flat angles P-C4'-P energy: -64.595 tors. eta vs tors. theta energy: -124.944 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: 2, replica: 3 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -1365.236821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.236821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.236821 (E_RNA) where: Base-Base interactions energy: -937.735 where: short stacking energy: -381.074 Base-Backbone interact. energy: -5.322 local terms energy: -422.180168 where: bonds (distance) C4'-P energy: -71.112 bonds (distance) P-C4' energy: -86.823 flat angles C4'-P-C4' energy: -96.454 flat angles P-C4'-P energy: -55.832 tors. eta vs tors. theta energy: -111.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -1266.827804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.827804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.827804 (E_RNA) where: Base-Base interactions energy: -865.636 where: short stacking energy: -375.903 Base-Backbone interact. energy: 2.917 local terms energy: -404.108919 where: bonds (distance) C4'-P energy: -77.839 bonds (distance) P-C4' energy: -66.744 flat angles C4'-P-C4' energy: -88.034 flat angles P-C4'-P energy: -60.744 tors. eta vs tors. theta energy: -110.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -1186.486049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.486049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.486049 (E_RNA) where: Base-Base interactions energy: -801.944 where: short stacking energy: -331.608 Base-Backbone interact. energy: -2.017 local terms energy: -382.524587 where: bonds (distance) C4'-P energy: -75.829 bonds (distance) P-C4' energy: -69.506 flat angles C4'-P-C4' energy: -86.916 flat angles P-C4'-P energy: -54.022 tors. eta vs tors. theta energy: -96.251 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: 5, replica: 6 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -1091.820151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.820151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.820151 (E_RNA) where: Base-Base interactions energy: -721.264 where: short stacking energy: -312.642 Base-Backbone interact. energy: -1.137 local terms energy: -369.418740 where: bonds (distance) C4'-P energy: -69.856 bonds (distance) P-C4' energy: -77.428 flat angles C4'-P-C4' energy: -77.189 flat angles P-C4'-P energy: -45.918 tors. eta vs tors. theta energy: -99.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -997.730501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.730501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.730501 (E_RNA) where: Base-Base interactions energy: -655.132 where: short stacking energy: -289.371 Base-Backbone interact. energy: -1.770 local terms energy: -340.828535 where: bonds (distance) C4'-P energy: -73.399 bonds (distance) P-C4' energy: -70.903 flat angles C4'-P-C4' energy: -84.947 flat angles P-C4'-P energy: -36.009 tors. eta vs tors. theta energy: -75.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -917.256411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.256411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.256411 (E_RNA) where: Base-Base interactions energy: -612.797 where: short stacking energy: -263.929 Base-Backbone interact. energy: -0.795 local terms energy: -303.664502 where: bonds (distance) C4'-P energy: -67.140 bonds (distance) P-C4' energy: -59.026 flat angles C4'-P-C4' energy: -78.495 flat angles P-C4'-P energy: -33.356 tors. eta vs tors. theta energy: -65.647 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: 2 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -615.818688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.818688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.818688 (E_RNA) where: Base-Base interactions energy: -343.089 where: short stacking energy: -172.914 Base-Backbone interact. energy: 0.394 local terms energy: -273.123901 where: bonds (distance) C4'-P energy: -70.903 bonds (distance) P-C4' energy: -76.534 flat angles C4'-P-C4' energy: -53.631 flat angles P-C4'-P energy: -43.017 tors. eta vs tors. theta energy: -29.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -450.307553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.307553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.307553 (E_RNA) where: Base-Base interactions energy: -214.099 where: short stacking energy: -126.974 Base-Backbone interact. energy: 0.449 local terms energy: -236.657256 where: bonds (distance) C4'-P energy: -62.397 bonds (distance) P-C4' energy: -66.661 flat angles C4'-P-C4' energy: -68.592 flat angles P-C4'-P energy: -28.804 tors. eta vs tors. theta energy: -10.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -339.639576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.639576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.639576 (E_RNA) where: Base-Base interactions energy: -123.339 where: short stacking energy: -104.662 Base-Backbone interact. energy: 1.988 local terms energy: -218.287797 where: bonds (distance) C4'-P energy: -66.496 bonds (distance) P-C4' energy: -70.660 flat angles C4'-P-C4' energy: -59.908 flat angles P-C4'-P energy: -32.039 tors. eta vs tors. theta energy: 10.815 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: 7 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -1385.818765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.818765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.818765 (E_RNA) where: Base-Base interactions energy: -951.205 where: short stacking energy: -414.929 Base-Backbone interact. energy: -0.916 local terms energy: -433.697704 where: bonds (distance) C4'-P energy: -70.848 bonds (distance) P-C4' energy: -90.119 flat angles C4'-P-C4' energy: -79.984 flat angles P-C4'-P energy: -63.927 tors. eta vs tors. theta energy: -128.820 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: 2, replica: 3 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -1388.688932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.688932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.688932 (E_RNA) where: Base-Base interactions energy: -977.931 where: short stacking energy: -414.762 Base-Backbone interact. energy: 4.237 local terms energy: -414.994719 where: bonds (distance) C4'-P energy: -78.735 bonds (distance) P-C4' energy: -78.609 flat angles C4'-P-C4' energy: -91.426 flat angles P-C4'-P energy: -47.670 tors. eta vs tors. theta energy: -118.555 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: 9 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -1264.769188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.769188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.769188 (E_RNA) where: Base-Base interactions energy: -858.260 where: short stacking energy: -377.015 Base-Backbone interact. energy: -0.987 local terms energy: -405.522444 where: bonds (distance) C4'-P energy: -69.545 bonds (distance) P-C4' energy: -81.007 flat angles C4'-P-C4' energy: -100.605 flat angles P-C4'-P energy: -49.217 tors. eta vs tors. theta energy: -105.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -1208.995754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.995754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.995754 (E_RNA) where: Base-Base interactions energy: -812.925 where: short stacking energy: -341.519 Base-Backbone interact. energy: 0.193 local terms energy: -396.263629 where: bonds (distance) C4'-P energy: -72.723 bonds (distance) P-C4' energy: -77.711 flat angles C4'-P-C4' energy: -91.564 flat angles P-C4'-P energy: -50.474 tors. eta vs tors. theta energy: -103.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -1101.478397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.478397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.478397 (E_RNA) where: Base-Base interactions energy: -717.552 where: short stacking energy: -332.962 Base-Backbone interact. energy: -1.406 local terms energy: -382.520604 where: bonds (distance) C4'-P energy: -76.035 bonds (distance) P-C4' energy: -83.314 flat angles C4'-P-C4' energy: -68.448 flat angles P-C4'-P energy: -57.531 tors. eta vs tors. theta energy: -97.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -976.469837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.469837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.469837 (E_RNA) where: Base-Base interactions energy: -623.418 where: short stacking energy: -284.510 Base-Backbone interact. energy: -0.998 local terms energy: -352.054160 where: bonds (distance) C4'-P energy: -80.741 bonds (distance) P-C4' energy: -72.928 flat angles C4'-P-C4' energy: -66.037 flat angles P-C4'-P energy: -51.174 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: 7, replica: 5 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -929.865543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.865543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.865543 (E_RNA) where: Base-Base interactions energy: -627.204 where: short stacking energy: -254.642 Base-Backbone interact. energy: 1.146 local terms energy: -303.806932 where: bonds (distance) C4'-P energy: -62.670 bonds (distance) P-C4' energy: -60.298 flat angles C4'-P-C4' energy: -82.402 flat angles P-C4'-P energy: -35.712 tors. eta vs tors. theta energy: -62.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -667.769972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.769972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.769972 (E_RNA) where: Base-Base interactions energy: -375.176 where: short stacking energy: -192.981 Base-Backbone interact. energy: -2.690 local terms energy: -289.904001 where: bonds (distance) C4'-P energy: -60.501 bonds (distance) P-C4' energy: -67.368 flat angles C4'-P-C4' energy: -66.358 flat angles P-C4'-P energy: -46.177 tors. eta vs tors. theta energy: -49.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -373.552075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.552075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.552075 (E_RNA) where: Base-Base interactions energy: -160.388 where: short stacking energy: -108.886 Base-Backbone interact. energy: 3.004 local terms energy: -216.168398 where: bonds (distance) C4'-P energy: -52.544 bonds (distance) P-C4' energy: -70.332 flat angles C4'-P-C4' energy: -61.403 flat angles P-C4'-P energy: -25.933 tors. eta vs tors. theta energy: -5.957 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: 10 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -386.371483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.371483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.371483 (E_RNA) where: Base-Base interactions energy: -157.625 where: short stacking energy: -107.776 Base-Backbone interact. energy: 0.565 local terms energy: -229.311405 where: bonds (distance) C4'-P energy: -64.048 bonds (distance) P-C4' energy: -71.395 flat angles C4'-P-C4' energy: -57.182 flat angles P-C4'-P energy: -41.867 tors. eta vs tors. theta energy: 5.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -1393.698727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.698727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.698727 (E_RNA) where: Base-Base interactions energy: -941.398 where: short stacking energy: -421.337 Base-Backbone interact. energy: 0.247 local terms energy: -452.547099 where: bonds (distance) C4'-P energy: -87.726 bonds (distance) P-C4' energy: -82.441 flat angles C4'-P-C4' energy: -99.051 flat angles P-C4'-P energy: -57.632 tors. eta vs tors. theta energy: -125.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -1387.529387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.529387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.529387 (E_RNA) where: Base-Base interactions energy: -944.427 where: short stacking energy: -406.669 Base-Backbone interact. energy: -1.726 local terms energy: -441.376205 where: bonds (distance) C4'-P energy: -82.629 bonds (distance) P-C4' energy: -81.279 flat angles C4'-P-C4' energy: -92.649 flat angles P-C4'-P energy: -65.838 tors. eta vs tors. theta energy: -118.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -1294.838794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.838794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.838794 (E_RNA) where: Base-Base interactions energy: -881.268 where: short stacking energy: -373.577 Base-Backbone interact. energy: -1.928 local terms energy: -411.643139 where: bonds (distance) C4'-P energy: -74.077 bonds (distance) P-C4' energy: -77.704 flat angles C4'-P-C4' energy: -93.970 flat angles P-C4'-P energy: -55.417 tors. eta vs tors. theta energy: -110.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -1224.748816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.748816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.748816 (E_RNA) where: Base-Base interactions energy: -811.294 where: short stacking energy: -376.981 Base-Backbone interact. energy: -0.688 local terms energy: -412.766782 where: bonds (distance) C4'-P energy: -73.591 bonds (distance) P-C4' energy: -71.899 flat angles C4'-P-C4' energy: -89.658 flat angles P-C4'-P energy: -58.278 tors. eta vs tors. theta energy: -119.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -1058.513407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.513407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.513407 (E_RNA) where: Base-Base interactions energy: -698.725 where: short stacking energy: -321.420 Base-Backbone interact. energy: -2.025 local terms energy: -357.763195 where: bonds (distance) C4'-P energy: -75.293 bonds (distance) P-C4' energy: -72.485 flat angles C4'-P-C4' energy: -68.352 flat angles P-C4'-P energy: -46.216 tors. eta vs tors. theta energy: -95.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -991.551802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.551802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.551802 (E_RNA) where: Base-Base interactions energy: -651.523 where: short stacking energy: -289.008 Base-Backbone interact. energy: -2.088 local terms energy: -337.940898 where: bonds (distance) C4'-P energy: -74.552 bonds (distance) P-C4' energy: -67.855 flat angles C4'-P-C4' energy: -82.211 flat angles P-C4'-P energy: -29.069 tors. eta vs tors. theta energy: -84.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -920.704979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.704979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.704979 (E_RNA) where: Base-Base interactions energy: -583.318 where: short stacking energy: -259.355 Base-Backbone interact. energy: -0.951 local terms energy: -336.436096 where: bonds (distance) C4'-P energy: -77.233 bonds (distance) P-C4' energy: -78.065 flat angles C4'-P-C4' energy: -74.685 flat angles P-C4'-P energy: -47.221 tors. eta vs tors. theta energy: -59.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -613.734389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.734389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.734389 (E_RNA) where: Base-Base interactions energy: -369.061 where: short stacking energy: -192.464 Base-Backbone interact. energy: 0.070 local terms energy: -244.742763 where: bonds (distance) C4'-P energy: -64.500 bonds (distance) P-C4' energy: -56.409 flat angles C4'-P-C4' energy: -67.968 flat angles P-C4'-P energy: -34.774 tors. eta vs tors. theta energy: -21.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -371.957830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.957830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.957830 (E_RNA) where: Base-Base interactions energy: -119.750 where: short stacking energy: -109.454 Base-Backbone interact. energy: 0.414 local terms energy: -252.621812 where: bonds (distance) C4'-P energy: -66.701 bonds (distance) P-C4' energy: -72.329 flat angles C4'-P-C4' energy: -63.788 flat angles P-C4'-P energy: -47.621 tors. eta vs tors. theta energy: -2.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -379.792122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.792122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.792122 (E_RNA) where: Base-Base interactions energy: -187.130 where: short stacking energy: -118.782 Base-Backbone interact. energy: -0.571 local terms energy: -192.090722 where: bonds (distance) C4'-P energy: -59.969 bonds (distance) P-C4' energy: -56.761 flat angles C4'-P-C4' energy: -56.089 flat angles P-C4'-P energy: -32.143 tors. eta vs tors. theta energy: 12.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -1386.750698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.750698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.750698 (E_RNA) where: Base-Base interactions energy: -927.691 where: short stacking energy: -410.827 Base-Backbone interact. energy: -1.165 local terms energy: -457.895211 where: bonds (distance) C4'-P energy: -85.181 bonds (distance) P-C4' energy: -88.673 flat angles C4'-P-C4' energy: -94.721 flat angles P-C4'-P energy: -63.600 tors. eta vs tors. theta energy: -125.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -1397.889715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.889715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.889715 (E_RNA) where: Base-Base interactions energy: -986.836 where: short stacking energy: -407.642 Base-Backbone interact. energy: 5.424 local terms energy: -416.477269 where: bonds (distance) C4'-P energy: -75.913 bonds (distance) P-C4' energy: -77.374 flat angles C4'-P-C4' energy: -97.425 flat angles P-C4'-P energy: -53.090 tors. eta vs tors. theta energy: -112.675 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: 9 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -1275.871761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.871761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.871761 (E_RNA) where: Base-Base interactions energy: -867.978 where: short stacking energy: -360.980 Base-Backbone interact. energy: -1.699 local terms energy: -406.195116 where: bonds (distance) C4'-P energy: -70.834 bonds (distance) P-C4' energy: -83.697 flat angles C4'-P-C4' energy: -82.137 flat angles P-C4'-P energy: -61.240 tors. eta vs tors. theta energy: -108.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -1242.299945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.299945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.299945 (E_RNA) where: Base-Base interactions energy: -816.097 where: short stacking energy: -376.751 Base-Backbone interact. energy: -1.915 local terms energy: -424.287947 where: bonds (distance) C4'-P energy: -73.757 bonds (distance) P-C4' energy: -78.676 flat angles C4'-P-C4' energy: -89.968 flat angles P-C4'-P energy: -63.549 tors. eta vs tors. theta energy: -118.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -1048.725946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.725946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.725946 (E_RNA) where: Base-Base interactions energy: -684.350 where: short stacking energy: -278.589 Base-Backbone interact. energy: -2.026 local terms energy: -362.350173 where: bonds (distance) C4'-P energy: -82.749 bonds (distance) P-C4' energy: -70.503 flat angles C4'-P-C4' energy: -83.128 flat angles P-C4'-P energy: -54.144 tors. eta vs tors. theta energy: -71.827 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: 6, replica: 6 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -1034.927060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.927060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.927060 (E_RNA) where: Base-Base interactions energy: -685.490 where: short stacking energy: -291.031 Base-Backbone interact. energy: -0.255 local terms energy: -349.181808 where: bonds (distance) C4'-P energy: -66.956 bonds (distance) P-C4' energy: -65.366 flat angles C4'-P-C4' energy: -83.188 flat angles P-C4'-P energy: -52.006 tors. eta vs tors. theta energy: -81.667 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: 5 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -894.706242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.706242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.706242 (E_RNA) where: Base-Base interactions energy: -567.201 where: short stacking energy: -253.025 Base-Backbone interact. energy: 0.048 local terms energy: -327.552972 where: bonds (distance) C4'-P energy: -71.839 bonds (distance) P-C4' energy: -70.799 flat angles C4'-P-C4' energy: -82.960 flat angles P-C4'-P energy: -44.967 tors. eta vs tors. theta energy: -56.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -628.205341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.205341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.205341 (E_RNA) where: Base-Base interactions energy: -365.427 where: short stacking energy: -198.572 Base-Backbone interact. energy: 2.402 local terms energy: -265.179963 where: bonds (distance) C4'-P energy: -68.433 bonds (distance) P-C4' energy: -55.111 flat angles C4'-P-C4' energy: -70.192 flat angles P-C4'-P energy: -43.653 tors. eta vs tors. theta energy: -27.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -472.353968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.353968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.353968 (E_RNA) where: Base-Base interactions energy: -217.240 where: short stacking energy: -123.416 Base-Backbone interact. energy: -2.502 local terms energy: -252.611622 where: bonds (distance) C4'-P energy: -71.269 bonds (distance) P-C4' energy: -66.374 flat angles C4'-P-C4' energy: -64.393 flat angles P-C4'-P energy: -47.511 tors. eta vs tors. theta energy: -3.064 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: 4 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -341.789438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.789438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.789438 (E_RNA) where: Base-Base interactions energy: -139.285 where: short stacking energy: -95.543 Base-Backbone interact. energy: 1.939 local terms energy: -204.443856 where: bonds (distance) C4'-P energy: -49.930 bonds (distance) P-C4' energy: -65.969 flat angles C4'-P-C4' energy: -59.586 flat angles P-C4'-P energy: -33.914 tors. eta vs tors. theta energy: 4.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -1374.596521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.596521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.596521 (E_RNA) where: Base-Base interactions energy: -924.405 where: short stacking energy: -411.210 Base-Backbone interact. energy: -0.251 local terms energy: -449.940566 where: bonds (distance) C4'-P energy: -82.203 bonds (distance) P-C4' energy: -83.619 flat angles C4'-P-C4' energy: -88.872 flat angles P-C4'-P energy: -61.363 tors. eta vs tors. theta energy: -133.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -1362.789005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.789005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.789005 (E_RNA) where: Base-Base interactions energy: -954.520 where: short stacking energy: -413.185 Base-Backbone interact. energy: -2.896 local terms energy: -405.373314 where: bonds (distance) C4'-P energy: -74.939 bonds (distance) P-C4' energy: -81.609 flat angles C4'-P-C4' energy: -85.833 flat angles P-C4'-P energy: -55.269 tors. eta vs tors. theta energy: -107.723 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: 9 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -1257.799006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.799006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.799006 (E_RNA) where: Base-Base interactions energy: -836.883 where: short stacking energy: -361.805 Base-Backbone interact. energy: -1.743 local terms energy: -419.172902 where: bonds (distance) C4'-P energy: -85.731 bonds (distance) P-C4' energy: -74.576 flat angles C4'-P-C4' energy: -90.677 flat angles P-C4'-P energy: -60.022 tors. eta vs tors. theta energy: -108.167 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: 8 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -1208.799264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.799264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.799264 (E_RNA) where: Base-Base interactions energy: -824.193 where: short stacking energy: -346.656 Base-Backbone interact. energy: -2.103 local terms energy: -382.503577 where: bonds (distance) C4'-P energy: -70.543 bonds (distance) P-C4' energy: -62.985 flat angles C4'-P-C4' energy: -87.451 flat angles P-C4'-P energy: -60.463 tors. eta vs tors. theta energy: -101.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -1038.270654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.270654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.270654 (E_RNA) where: Base-Base interactions energy: -677.228 where: short stacking energy: -324.166 Base-Backbone interact. energy: -2.407 local terms energy: -358.635425 where: bonds (distance) C4'-P energy: -79.222 bonds (distance) P-C4' energy: -70.798 flat angles C4'-P-C4' energy: -74.268 flat angles P-C4'-P energy: -53.944 tors. eta vs tors. theta energy: -80.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -1048.946767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.946767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.946767 (E_RNA) where: Base-Base interactions energy: -677.811 where: short stacking energy: -293.955 Base-Backbone interact. energy: -0.639 local terms energy: -370.496225 where: bonds (distance) C4'-P energy: -69.319 bonds (distance) P-C4' energy: -66.756 flat angles C4'-P-C4' energy: -88.281 flat angles P-C4'-P energy: -58.302 tors. eta vs tors. theta energy: -87.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -827.392290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.392290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.392290 (E_RNA) where: Base-Base interactions energy: -519.039 where: short stacking energy: -221.596 Base-Backbone interact. energy: -0.362 local terms energy: -307.991601 where: bonds (distance) C4'-P energy: -70.906 bonds (distance) P-C4' energy: -76.804 flat angles C4'-P-C4' energy: -76.838 flat angles P-C4'-P energy: -39.042 tors. eta vs tors. theta energy: -44.401 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: 2 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -682.513794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.513794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.513794 (E_RNA) where: Base-Base interactions energy: -404.357 where: short stacking energy: -211.285 Base-Backbone interact. energy: 0.466 local terms energy: -278.622874 where: bonds (distance) C4'-P energy: -65.290 bonds (distance) P-C4' energy: -80.037 flat angles C4'-P-C4' energy: -65.692 flat angles P-C4'-P energy: -36.422 tors. eta vs tors. theta energy: -31.182 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: 9, replica: 10 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -481.200966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.200966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.200966 (E_RNA) where: Base-Base interactions energy: -258.177 where: short stacking energy: -147.073 Base-Backbone interact. energy: -1.866 local terms energy: -221.158002 where: bonds (distance) C4'-P energy: -52.525 bonds (distance) P-C4' energy: -64.422 flat angles C4'-P-C4' energy: -49.286 flat angles P-C4'-P energy: -47.148 tors. eta vs tors. theta energy: -7.777 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: 4 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -315.178569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.178569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.178569 (E_RNA) where: Base-Base interactions energy: -108.229 where: short stacking energy: -92.145 Base-Backbone interact. energy: 1.319 local terms energy: -208.268613 where: bonds (distance) C4'-P energy: -66.511 bonds (distance) P-C4' energy: -80.934 flat angles C4'-P-C4' energy: -54.403 flat angles P-C4'-P energy: -16.130 tors. eta vs tors. theta energy: 9.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -1372.588376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.588376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.588376 (E_RNA) where: Base-Base interactions energy: -936.222 where: short stacking energy: -399.601 Base-Backbone interact. energy: -0.840 local terms energy: -435.526130 where: bonds (distance) C4'-P energy: -81.482 bonds (distance) P-C4' energy: -86.173 flat angles C4'-P-C4' energy: -81.821 flat angles P-C4'-P energy: -63.770 tors. eta vs tors. theta energy: -122.280 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: 408 Temperature: 0.950000 Total energy: -1366.329384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.329384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.329384 (E_RNA) where: Base-Base interactions energy: -926.951 where: short stacking energy: -406.014 Base-Backbone interact. energy: -3.045 local terms energy: -436.333407 where: bonds (distance) C4'-P energy: -85.184 bonds (distance) P-C4' energy: -93.041 flat angles C4'-P-C4' energy: -92.671 flat angles P-C4'-P energy: -53.056 tors. eta vs tors. theta energy: -112.382 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: 408 Temperature: 1.000000 Total energy: -1245.330374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.330374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.330374 (E_RNA) where: Base-Base interactions energy: -843.418 where: short stacking energy: -346.608 Base-Backbone interact. energy: 1.729 local terms energy: -403.641601 where: bonds (distance) C4'-P energy: -66.868 bonds (distance) P-C4' energy: -85.209 flat angles C4'-P-C4' energy: -92.166 flat angles P-C4'-P energy: -61.576 tors. eta vs tors. theta energy: -97.822 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: 8 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -1215.070548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.070548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.070548 (E_RNA) where: Base-Base interactions energy: -812.328 where: short stacking energy: -345.009 Base-Backbone interact. energy: 0.729 local terms energy: -403.472099 where: bonds (distance) C4'-P energy: -91.499 bonds (distance) P-C4' energy: -69.537 flat angles C4'-P-C4' energy: -90.835 flat angles P-C4'-P energy: -50.281 tors. eta vs tors. theta energy: -101.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -1165.743860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.743860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.743860 (E_RNA) where: Base-Base interactions energy: -785.285 where: short stacking energy: -359.345 Base-Backbone interact. energy: -0.056 local terms energy: -380.402748 where: bonds (distance) C4'-P energy: -67.658 bonds (distance) P-C4' energy: -86.705 flat angles C4'-P-C4' energy: -86.367 flat angles P-C4'-P energy: -42.028 tors. eta vs tors. theta energy: -97.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -1002.207241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.207241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.207241 (E_RNA) where: Base-Base interactions energy: -688.973 where: short stacking energy: -306.044 Base-Backbone interact. energy: 0.265 local terms energy: -313.499444 where: bonds (distance) C4'-P energy: -65.701 bonds (distance) P-C4' energy: -66.761 flat angles C4'-P-C4' energy: -66.032 flat angles P-C4'-P energy: -43.606 tors. eta vs tors. theta energy: -71.399 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: 5 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -857.399807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.399807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.399807 (E_RNA) where: Base-Base interactions energy: -553.257 where: short stacking energy: -229.281 Base-Backbone interact. energy: -4.922 local terms energy: -299.221578 where: bonds (distance) C4'-P energy: -73.574 bonds (distance) P-C4' energy: -70.671 flat angles C4'-P-C4' energy: -64.092 flat angles P-C4'-P energy: -39.038 tors. eta vs tors. theta energy: -51.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -671.408115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.408115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.408115 (E_RNA) where: Base-Base interactions energy: -405.199 where: short stacking energy: -210.509 Base-Backbone interact. energy: -0.553 local terms energy: -265.655895 where: bonds (distance) C4'-P energy: -69.307 bonds (distance) P-C4' energy: -72.235 flat angles C4'-P-C4' energy: -61.035 flat angles P-C4'-P energy: -27.119 tors. eta vs tors. theta energy: -35.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -478.773815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.773815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.773815 (E_RNA) where: Base-Base interactions energy: -251.306 where: short stacking energy: -133.988 Base-Backbone interact. energy: 2.231 local terms energy: -229.698953 where: bonds (distance) C4'-P energy: -69.741 bonds (distance) P-C4' energy: -66.089 flat angles C4'-P-C4' energy: -59.603 flat angles P-C4'-P energy: -29.478 tors. eta vs tors. theta energy: -4.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -305.493129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.493129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.493129 (E_RNA) where: Base-Base interactions energy: -104.424 where: short stacking energy: -97.779 Base-Backbone interact. energy: -0.851 local terms energy: -200.218817 where: bonds (distance) C4'-P energy: -66.902 bonds (distance) P-C4' energy: -53.521 flat angles C4'-P-C4' energy: -51.350 flat angles P-C4'-P energy: -42.817 tors. eta vs tors. theta energy: 14.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -1369.268757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.268757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.268757 (E_RNA) where: Base-Base interactions energy: -927.758 where: short stacking energy: -402.895 Base-Backbone interact. energy: -1.318 local terms energy: -440.192632 where: bonds (distance) C4'-P energy: -82.770 bonds (distance) P-C4' energy: -80.556 flat angles C4'-P-C4' energy: -100.081 flat angles P-C4'-P energy: -49.286 tors. eta vs tors. theta energy: -127.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -1368.042847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.042847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.042847 (E_RNA) where: Base-Base interactions energy: -960.755 where: short stacking energy: -392.682 Base-Backbone interact. energy: -2.158 local terms energy: -405.129330 where: bonds (distance) C4'-P energy: -83.083 bonds (distance) P-C4' energy: -74.223 flat angles C4'-P-C4' energy: -80.152 flat angles P-C4'-P energy: -50.601 tors. eta vs tors. theta energy: -117.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -1255.167650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.167650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.167650 (E_RNA) where: Base-Base interactions energy: -875.763 where: short stacking energy: -339.104 Base-Backbone interact. energy: -2.987 local terms energy: -376.417272 where: bonds (distance) C4'-P energy: -66.049 bonds (distance) P-C4' energy: -81.740 flat angles C4'-P-C4' energy: -87.595 flat angles P-C4'-P energy: -50.239 tors. eta vs tors. theta energy: -90.795 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: 6 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -1200.376518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.376518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.376518 (E_RNA) where: Base-Base interactions energy: -787.123 where: short stacking energy: -334.926 Base-Backbone interact. energy: -0.777 local terms energy: -412.476390 where: bonds (distance) C4'-P energy: -84.825 bonds (distance) P-C4' energy: -81.306 flat angles C4'-P-C4' energy: -84.373 flat angles P-C4'-P energy: -56.987 tors. eta vs tors. theta energy: -104.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -1196.984334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.984334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.984334 (E_RNA) where: Base-Base interactions energy: -810.770 where: short stacking energy: -356.630 Base-Backbone interact. energy: -1.313 local terms energy: -384.901174 where: bonds (distance) C4'-P energy: -61.646 bonds (distance) P-C4' energy: -75.801 flat angles C4'-P-C4' energy: -81.984 flat angles P-C4'-P energy: -47.431 tors. eta vs tors. theta energy: -118.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -976.545192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.545192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.545192 (E_RNA) where: Base-Base interactions energy: -624.734 where: short stacking energy: -275.983 Base-Backbone interact. energy: 1.170 local terms energy: -352.980292 where: bonds (distance) C4'-P energy: -67.908 bonds (distance) P-C4' energy: -74.444 flat angles C4'-P-C4' energy: -83.396 flat angles P-C4'-P energy: -47.841 tors. eta vs tors. theta energy: -79.391 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: 5 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -895.583157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.583157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.583157 (E_RNA) where: Base-Base interactions energy: -572.537 where: short stacking energy: -256.095 Base-Backbone interact. energy: -0.943 local terms energy: -322.103472 where: bonds (distance) C4'-P energy: -62.754 bonds (distance) P-C4' energy: -75.928 flat angles C4'-P-C4' energy: -69.685 flat angles P-C4'-P energy: -59.904 tors. eta vs tors. theta energy: -53.833 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: 8, replica: 2 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -649.197787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.197787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.197787 (E_RNA) where: Base-Base interactions energy: -366.184 where: short stacking energy: -167.360 Base-Backbone interact. energy: -4.829 local terms energy: -278.184335 where: bonds (distance) C4'-P energy: -69.090 bonds (distance) P-C4' energy: -80.282 flat angles C4'-P-C4' energy: -80.299 flat angles P-C4'-P energy: -36.030 tors. eta vs tors. theta energy: -12.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -449.353684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.353684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.353684 (E_RNA) where: Base-Base interactions energy: -209.130 where: short stacking energy: -118.667 Base-Backbone interact. energy: 6.003 local terms energy: -246.226335 where: bonds (distance) C4'-P energy: -64.969 bonds (distance) P-C4' energy: -77.018 flat angles C4'-P-C4' energy: -58.429 flat angles P-C4'-P energy: -31.839 tors. eta vs tors. theta energy: -13.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -341.073154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.073154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.073154 (E_RNA) where: Base-Base interactions energy: -108.000 where: short stacking energy: -72.648 Base-Backbone interact. energy: 1.553 local terms energy: -234.625680 where: bonds (distance) C4'-P energy: -76.057 bonds (distance) P-C4' energy: -66.579 flat angles C4'-P-C4' energy: -59.970 flat angles P-C4'-P energy: -36.536 tors. eta vs tors. theta energy: 4.516 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: 7 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -1385.364406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.364406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.364406 (E_RNA) where: Base-Base interactions energy: -941.727 where: short stacking energy: -406.756 Base-Backbone interact. energy: 1.900 local terms energy: -445.537689 where: bonds (distance) C4'-P energy: -83.012 bonds (distance) P-C4' energy: -81.327 flat angles C4'-P-C4' energy: -95.613 flat angles P-C4'-P energy: -58.733 tors. eta vs tors. theta energy: -126.852 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: 410 Temperature: 0.950000 Total energy: -1335.050556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.050556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.050556 (E_RNA) where: Base-Base interactions energy: -922.073 where: short stacking energy: -366.832 Base-Backbone interact. energy: -1.882 local terms energy: -411.095273 where: bonds (distance) C4'-P energy: -78.735 bonds (distance) P-C4' energy: -82.648 flat angles C4'-P-C4' energy: -88.696 flat angles P-C4'-P energy: -53.313 tors. eta vs tors. theta energy: -107.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -1278.300406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.300406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.300406 (E_RNA) where: Base-Base interactions energy: -881.320 where: short stacking energy: -371.970 Base-Backbone interact. energy: -1.904 local terms energy: -395.076086 where: bonds (distance) C4'-P energy: -72.703 bonds (distance) P-C4' energy: -61.283 flat angles C4'-P-C4' energy: -94.403 flat angles P-C4'-P energy: -63.011 tors. eta vs tors. theta energy: -103.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -1174.596084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.596084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.596084 (E_RNA) where: Base-Base interactions energy: -786.532 where: short stacking energy: -344.120 Base-Backbone interact. energy: -0.372 local terms energy: -387.691999 where: bonds (distance) C4'-P energy: -66.073 bonds (distance) P-C4' energy: -82.400 flat angles C4'-P-C4' energy: -86.740 flat angles P-C4'-P energy: -52.887 tors. eta vs tors. theta energy: -99.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -1169.616166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.616166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.616166 (E_RNA) where: Base-Base interactions energy: -806.856 where: short stacking energy: -366.496 Base-Backbone interact. energy: 0.068 local terms energy: -362.827557 where: bonds (distance) C4'-P energy: -62.950 bonds (distance) P-C4' energy: -54.024 flat angles C4'-P-C4' energy: -82.717 flat angles P-C4'-P energy: -46.890 tors. eta vs tors. theta energy: -116.247 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: 410 Temperature: 1.150000 Total energy: -964.142155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.142155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.142155 (E_RNA) where: Base-Base interactions energy: -606.359 where: short stacking energy: -264.799 Base-Backbone interact. energy: -0.904 local terms energy: -356.879523 where: bonds (distance) C4'-P energy: -63.597 bonds (distance) P-C4' energy: -81.296 flat angles C4'-P-C4' energy: -87.373 flat angles P-C4'-P energy: -52.074 tors. eta vs tors. theta energy: -72.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -852.190721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.190721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.190721 (E_RNA) where: Base-Base interactions energy: -534.198 where: short stacking energy: -239.350 Base-Backbone interact. energy: -1.191 local terms energy: -316.802299 where: bonds (distance) C4'-P energy: -70.521 bonds (distance) P-C4' energy: -78.034 flat angles C4'-P-C4' energy: -78.607 flat angles P-C4'-P energy: -30.366 tors. eta vs tors. theta energy: -59.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -655.879524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.879524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.879524 (E_RNA) where: Base-Base interactions energy: -378.062 where: short stacking energy: -194.320 Base-Backbone interact. energy: 1.642 local terms energy: -279.460206 where: bonds (distance) C4'-P energy: -75.563 bonds (distance) P-C4' energy: -64.670 flat angles C4'-P-C4' energy: -63.404 flat angles P-C4'-P energy: -38.932 tors. eta vs tors. theta energy: -36.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -405.947004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.947004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.947004 (E_RNA) where: Base-Base interactions energy: -180.679 where: short stacking energy: -138.833 Base-Backbone interact. energy: 0.830 local terms energy: -226.097587 where: bonds (distance) C4'-P energy: -57.540 bonds (distance) P-C4' energy: -88.339 flat angles C4'-P-C4' energy: -48.506 flat angles P-C4'-P energy: -31.240 tors. eta vs tors. theta energy: -0.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -365.370426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.370426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.370426 (E_RNA) where: Base-Base interactions energy: -128.635 where: short stacking energy: -101.345 Base-Backbone interact. energy: -0.007 local terms energy: -236.728231 where: bonds (distance) C4'-P energy: -55.701 bonds (distance) P-C4' energy: -57.610 flat angles C4'-P-C4' energy: -64.017 flat angles P-C4'-P energy: -56.377 tors. eta vs tors. theta energy: -3.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -1391.664401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.664401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.664401 (E_RNA) where: Base-Base interactions energy: -926.647 where: short stacking energy: -408.021 Base-Backbone interact. energy: -0.979 local terms energy: -464.038183 where: bonds (distance) C4'-P energy: -91.042 bonds (distance) P-C4' energy: -87.028 flat angles C4'-P-C4' energy: -94.744 flat angles P-C4'-P energy: -61.959 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: 411 Temperature: 0.950000 Total energy: -1344.233100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.233100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.233100 (E_RNA) where: Base-Base interactions energy: -949.241 where: short stacking energy: -380.782 Base-Backbone interact. energy: -2.796 local terms energy: -392.195732 where: bonds (distance) C4'-P energy: -73.841 bonds (distance) P-C4' energy: -66.944 flat angles C4'-P-C4' energy: -91.464 flat angles P-C4'-P energy: -58.435 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: 3, replica: 9 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -1247.750946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.750946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.750946 (E_RNA) where: Base-Base interactions energy: -862.698 where: short stacking energy: -364.477 Base-Backbone interact. energy: 0.516 local terms energy: -385.568485 where: bonds (distance) C4'-P energy: -89.006 bonds (distance) P-C4' energy: -71.563 flat angles C4'-P-C4' energy: -84.000 flat angles P-C4'-P energy: -51.985 tors. eta vs tors. theta energy: -89.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -1188.007979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.007979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.007979 (E_RNA) where: Base-Base interactions energy: -809.782 where: short stacking energy: -354.027 Base-Backbone interact. energy: -0.040 local terms energy: -378.185765 where: bonds (distance) C4'-P energy: -73.594 bonds (distance) P-C4' energy: -71.957 flat angles C4'-P-C4' energy: -83.742 flat angles P-C4'-P energy: -51.457 tors. eta vs tors. theta energy: -97.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -1125.718270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.718270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.718270 (E_RNA) where: Base-Base interactions energy: -739.978 where: short stacking energy: -316.474 Base-Backbone interact. energy: 0.780 local terms energy: -386.520203 where: bonds (distance) C4'-P energy: -76.224 bonds (distance) P-C4' energy: -82.010 flat angles C4'-P-C4' energy: -82.613 flat angles P-C4'-P energy: -53.107 tors. eta vs tors. theta energy: -92.566 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: 1 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -956.068919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.068919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.068919 (E_RNA) where: Base-Base interactions energy: -626.677 where: short stacking energy: -282.002 Base-Backbone interact. energy: 0.141 local terms energy: -329.532618 where: bonds (distance) C4'-P energy: -62.847 bonds (distance) P-C4' energy: -73.469 flat angles C4'-P-C4' energy: -78.269 flat angles P-C4'-P energy: -50.438 tors. eta vs tors. theta energy: -64.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -815.052385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.052385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.052385 (E_RNA) where: Base-Base interactions energy: -491.132 where: short stacking energy: -225.838 Base-Backbone interact. energy: -2.944 local terms energy: -320.977167 where: bonds (distance) C4'-P energy: -70.955 bonds (distance) P-C4' energy: -72.438 flat angles C4'-P-C4' energy: -80.131 flat angles P-C4'-P energy: -44.086 tors. eta vs tors. theta energy: -53.366 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: 2 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -695.630622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.630622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.630622 (E_RNA) where: Base-Base interactions energy: -401.423 where: short stacking energy: -202.764 Base-Backbone interact. energy: -0.636 local terms energy: -293.571523 where: bonds (distance) C4'-P energy: -78.254 bonds (distance) P-C4' energy: -64.304 flat angles C4'-P-C4' energy: -71.852 flat angles P-C4'-P energy: -28.243 tors. eta vs tors. theta energy: -50.918 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: 10 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -417.214120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.214120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.214120 (E_RNA) where: Base-Base interactions energy: -165.908 where: short stacking energy: -110.125 Base-Backbone interact. energy: -0.314 local terms energy: -250.991498 where: bonds (distance) C4'-P energy: -67.908 bonds (distance) P-C4' energy: -72.626 flat angles C4'-P-C4' energy: -59.622 flat angles P-C4'-P energy: -34.954 tors. eta vs tors. theta energy: -15.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -332.085668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.085668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.085668 (E_RNA) where: Base-Base interactions energy: -101.280 where: short stacking energy: -75.581 Base-Backbone interact. energy: -0.977 local terms energy: -229.828813 where: bonds (distance) C4'-P energy: -76.063 bonds (distance) P-C4' energy: -78.730 flat angles C4'-P-C4' energy: -55.595 flat angles P-C4'-P energy: -35.665 tors. eta vs tors. theta energy: 16.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -1364.340358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.340358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.340358 (E_RNA) where: Base-Base interactions energy: -951.536 where: short stacking energy: -388.154 Base-Backbone interact. energy: -4.056 local terms energy: -408.747829 where: bonds (distance) C4'-P energy: -74.004 bonds (distance) P-C4' energy: -81.049 flat angles C4'-P-C4' energy: -88.312 flat angles P-C4'-P energy: -63.608 tors. eta vs tors. theta energy: -101.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -1334.785796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.785796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.785796 (E_RNA) where: Base-Base interactions energy: -904.253 where: short stacking energy: -399.267 Base-Backbone interact. energy: 0.168 local terms energy: -430.700664 where: bonds (distance) C4'-P energy: -71.474 bonds (distance) P-C4' energy: -76.822 flat angles C4'-P-C4' energy: -93.442 flat angles P-C4'-P energy: -62.652 tors. eta vs tors. theta energy: -126.311 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: 9 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -1234.887858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.887858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.887858 (E_RNA) where: Base-Base interactions energy: -839.644 where: short stacking energy: -343.085 Base-Backbone interact. energy: -2.574 local terms energy: -392.670788 where: bonds (distance) C4'-P energy: -63.199 bonds (distance) P-C4' energy: -89.140 flat angles C4'-P-C4' energy: -83.770 flat angles P-C4'-P energy: -55.399 tors. eta vs tors. theta energy: -101.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -1159.897105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.897105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.897105 (E_RNA) where: Base-Base interactions energy: -765.506 where: short stacking energy: -345.894 Base-Backbone interact. energy: -0.136 local terms energy: -394.254484 where: bonds (distance) C4'-P energy: -78.439 bonds (distance) P-C4' energy: -74.350 flat angles C4'-P-C4' energy: -84.579 flat angles P-C4'-P energy: -54.801 tors. eta vs tors. theta energy: -102.085 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: 8 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -1174.041781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.041781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.041781 (E_RNA) where: Base-Base interactions energy: -811.733 where: short stacking energy: -335.191 Base-Backbone interact. energy: -1.424 local terms energy: -360.883993 where: bonds (distance) C4'-P energy: -73.438 bonds (distance) P-C4' energy: -73.905 flat angles C4'-P-C4' energy: -73.775 flat angles P-C4'-P energy: -41.676 tors. eta vs tors. theta energy: -98.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -967.014173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.014173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.014173 (E_RNA) where: Base-Base interactions energy: -639.817 where: short stacking energy: -290.789 Base-Backbone interact. energy: 0.691 local terms energy: -327.888631 where: bonds (distance) C4'-P energy: -67.921 bonds (distance) P-C4' energy: -64.471 flat angles C4'-P-C4' energy: -74.783 flat angles P-C4'-P energy: -46.495 tors. eta vs tors. theta energy: -74.218 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: 7, replica: 2 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -747.235716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.235716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.235716 (E_RNA) where: Base-Base interactions energy: -455.557 where: short stacking energy: -230.226 Base-Backbone interact. energy: -1.365 local terms energy: -290.313858 where: bonds (distance) C4'-P energy: -65.084 bonds (distance) P-C4' energy: -75.764 flat angles C4'-P-C4' energy: -64.493 flat angles P-C4'-P energy: -32.918 tors. eta vs tors. theta energy: -52.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -785.458924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.458924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.458924 (E_RNA) where: Base-Base interactions energy: -501.001 where: short stacking energy: -219.760 Base-Backbone interact. energy: 0.373 local terms energy: -284.830240 where: bonds (distance) C4'-P energy: -57.997 bonds (distance) P-C4' energy: -81.946 flat angles C4'-P-C4' energy: -64.657 flat angles P-C4'-P energy: -29.571 tors. eta vs tors. theta energy: -50.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -402.834049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.834049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.834049 (E_RNA) where: Base-Base interactions energy: -172.435 where: short stacking energy: -105.568 Base-Backbone interact. energy: -0.733 local terms energy: -229.667008 where: bonds (distance) C4'-P energy: -71.015 bonds (distance) P-C4' energy: -72.148 flat angles C4'-P-C4' energy: -62.834 flat angles P-C4'-P energy: -25.413 tors. eta vs tors. theta energy: 1.743 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: 4 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -345.534990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.534990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.534990 (E_RNA) where: Base-Base interactions energy: -136.323 where: short stacking energy: -90.602 Base-Backbone interact. energy: 2.995 local terms energy: -212.207323 where: bonds (distance) C4'-P energy: -74.457 bonds (distance) P-C4' energy: -61.788 flat angles C4'-P-C4' energy: -51.179 flat angles P-C4'-P energy: -29.258 tors. eta vs tors. theta energy: 4.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -1359.333929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.333929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.333929 (E_RNA) where: Base-Base interactions energy: -941.756 where: short stacking energy: -393.163 Base-Backbone interact. energy: -0.565 local terms energy: -417.012776 where: bonds (distance) C4'-P energy: -70.919 bonds (distance) P-C4' energy: -80.110 flat angles C4'-P-C4' energy: -91.928 flat angles P-C4'-P energy: -59.461 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: 2, replica: 7 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -1331.251759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.251759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.251759 (E_RNA) where: Base-Base interactions energy: -904.740 where: short stacking energy: -390.260 Base-Backbone interact. energy: 0.708 local terms energy: -427.219468 where: bonds (distance) C4'-P energy: -82.030 bonds (distance) P-C4' energy: -81.966 flat angles C4'-P-C4' energy: -87.993 flat angles P-C4'-P energy: -62.896 tors. eta vs tors. theta energy: -112.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -1235.359843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.359843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.359843 (E_RNA) where: Base-Base interactions energy: -861.970 where: short stacking energy: -363.901 Base-Backbone interact. energy: -1.855 local terms energy: -371.534251 where: bonds (distance) C4'-P energy: -70.902 bonds (distance) P-C4' energy: -74.669 flat angles C4'-P-C4' energy: -79.684 flat angles P-C4'-P energy: -53.180 tors. eta vs tors. theta energy: -93.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -1215.605767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.605767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.605767 (E_RNA) where: Base-Base interactions energy: -819.749 where: short stacking energy: -351.401 Base-Backbone interact. energy: -0.326 local terms energy: -395.530766 where: bonds (distance) C4'-P energy: -75.246 bonds (distance) P-C4' energy: -83.684 flat angles C4'-P-C4' energy: -85.825 flat angles P-C4'-P energy: -45.054 tors. eta vs tors. theta energy: -105.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -1110.299498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.299498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.299498 (E_RNA) where: Base-Base interactions energy: -773.310 where: short stacking energy: -320.817 Base-Backbone interact. energy: -0.306 local terms energy: -336.683476 where: bonds (distance) C4'-P energy: -65.732 bonds (distance) P-C4' energy: -72.726 flat angles C4'-P-C4' energy: -73.884 flat angles P-C4'-P energy: -48.015 tors. eta vs tors. theta energy: -76.327 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: 1 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -963.388282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.388282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.388282 (E_RNA) where: Base-Base interactions energy: -616.742 where: short stacking energy: -292.515 Base-Backbone interact. energy: -1.918 local terms energy: -344.728995 where: bonds (distance) C4'-P energy: -78.426 bonds (distance) P-C4' energy: -71.050 flat angles C4'-P-C4' energy: -73.183 flat angles P-C4'-P energy: -50.009 tors. eta vs tors. theta energy: -72.061 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: 2 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -751.827474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.827474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.827474 (E_RNA) where: Base-Base interactions energy: -438.547 where: short stacking energy: -221.926 Base-Backbone interact. energy: 0.950 local terms energy: -314.230482 where: bonds (distance) C4'-P energy: -58.681 bonds (distance) P-C4' energy: -76.198 flat angles C4'-P-C4' energy: -82.309 flat angles P-C4'-P energy: -45.099 tors. eta vs tors. theta energy: -51.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -757.186150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.186150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.186150 (E_RNA) where: Base-Base interactions energy: -467.502 where: short stacking energy: -224.543 Base-Backbone interact. energy: -1.219 local terms energy: -288.464730 where: bonds (distance) C4'-P energy: -58.560 bonds (distance) P-C4' energy: -69.689 flat angles C4'-P-C4' energy: -68.494 flat angles P-C4'-P energy: -40.601 tors. eta vs tors. theta energy: -51.120 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: 10 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -424.241621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.241621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.241621 (E_RNA) where: Base-Base interactions energy: -192.565 where: short stacking energy: -123.649 Base-Backbone interact. energy: -1.212 local terms energy: -230.464495 where: bonds (distance) C4'-P energy: -64.558 bonds (distance) P-C4' energy: -75.444 flat angles C4'-P-C4' energy: -57.901 flat angles P-C4'-P energy: -32.679 tors. eta vs tors. theta energy: 0.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -407.406271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.406271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.406271 (E_RNA) where: Base-Base interactions energy: -168.553 where: short stacking energy: -103.681 Base-Backbone interact. energy: 0.689 local terms energy: -239.542764 where: bonds (distance) C4'-P energy: -59.872 bonds (distance) P-C4' energy: -67.896 flat angles C4'-P-C4' energy: -58.923 flat angles P-C4'-P energy: -40.398 tors. eta vs tors. theta energy: -12.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -1387.588588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.588588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.588588 (E_RNA) where: Base-Base interactions energy: -949.782 where: short stacking energy: -417.935 Base-Backbone interact. energy: -2.108 local terms energy: -435.698843 where: bonds (distance) C4'-P energy: -85.644 bonds (distance) P-C4' energy: -75.736 flat angles C4'-P-C4' energy: -92.048 flat angles P-C4'-P energy: -56.511 tors. eta vs tors. theta energy: -125.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -1356.380184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.380184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.380184 (E_RNA) where: Base-Base interactions energy: -949.686 where: short stacking energy: -405.175 Base-Backbone interact. energy: 2.097 local terms energy: -408.791351 where: bonds (distance) C4'-P energy: -71.137 bonds (distance) P-C4' energy: -80.313 flat angles C4'-P-C4' energy: -92.801 flat angles P-C4'-P energy: -56.510 tors. eta vs tors. theta energy: -108.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -1217.907110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.907110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.907110 (E_RNA) where: Base-Base interactions energy: -819.769 where: short stacking energy: -365.960 Base-Backbone interact. energy: -0.359 local terms energy: -397.779165 where: bonds (distance) C4'-P energy: -61.707 bonds (distance) P-C4' energy: -82.480 flat angles C4'-P-C4' energy: -88.019 flat angles P-C4'-P energy: -68.248 tors. eta vs tors. theta energy: -97.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -1218.992524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.992524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.992524 (E_RNA) where: Base-Base interactions energy: -847.185 where: short stacking energy: -374.135 Base-Backbone interact. energy: 1.399 local terms energy: -373.206851 where: bonds (distance) C4'-P energy: -72.342 bonds (distance) P-C4' energy: -70.805 flat angles C4'-P-C4' energy: -83.403 flat angles P-C4'-P energy: -42.967 tors. eta vs tors. theta energy: -103.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -1110.465390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.465390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.465390 (E_RNA) where: Base-Base interactions energy: -731.892 where: short stacking energy: -317.765 Base-Backbone interact. energy: -1.392 local terms energy: -377.181247 where: bonds (distance) C4'-P energy: -81.901 bonds (distance) P-C4' energy: -78.810 flat angles C4'-P-C4' energy: -77.590 flat angles P-C4'-P energy: -41.031 tors. eta vs tors. theta energy: -97.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -948.701653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.701653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.701653 (E_RNA) where: Base-Base interactions energy: -636.018 where: short stacking energy: -283.991 Base-Backbone interact. energy: -2.244 local terms energy: -310.439335 where: bonds (distance) C4'-P energy: -69.992 bonds (distance) P-C4' energy: -71.146 flat angles C4'-P-C4' energy: -74.772 flat angles P-C4'-P energy: -33.936 tors. eta vs tors. theta energy: -60.595 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: 5 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -836.502193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.502193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.502193 (E_RNA) where: Base-Base interactions energy: -504.338 where: short stacking energy: -238.507 Base-Backbone interact. energy: -1.837 local terms energy: -330.327254 where: bonds (distance) C4'-P energy: -74.662 bonds (distance) P-C4' energy: -66.763 flat angles C4'-P-C4' energy: -79.686 flat angles P-C4'-P energy: -54.436 tors. eta vs tors. theta energy: -54.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -698.537716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.537716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.537716 (E_RNA) where: Base-Base interactions energy: -411.467 where: short stacking energy: -191.688 Base-Backbone interact. energy: -0.210 local terms energy: -286.861177 where: bonds (distance) C4'-P energy: -63.425 bonds (distance) P-C4' energy: -80.762 flat angles C4'-P-C4' energy: -76.394 flat angles P-C4'-P energy: -30.999 tors. eta vs tors. theta energy: -35.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -431.209517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.209517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.209517 (E_RNA) where: Base-Base interactions energy: -195.837 where: short stacking energy: -105.262 Base-Backbone interact. energy: -0.782 local terms energy: -234.589733 where: bonds (distance) C4'-P energy: -66.543 bonds (distance) P-C4' energy: -71.060 flat angles C4'-P-C4' energy: -60.261 flat angles P-C4'-P energy: -37.019 tors. eta vs tors. theta energy: 0.294 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: 10 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -376.107492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.107492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.107492 (E_RNA) where: Base-Base interactions energy: -157.584 where: short stacking energy: -97.028 Base-Backbone interact. energy: -1.529 local terms energy: -216.993785 where: bonds (distance) C4'-P energy: -63.334 bonds (distance) P-C4' energy: -65.360 flat angles C4'-P-C4' energy: -54.449 flat angles P-C4'-P energy: -41.548 tors. eta vs tors. theta energy: 7.696 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: 1, replica: 7 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -1397.900274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.900274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.900274 (E_RNA) where: Base-Base interactions energy: -928.564 where: short stacking energy: -385.332 Base-Backbone interact. energy: -0.360 local terms energy: -468.976249 where: bonds (distance) C4'-P energy: -84.045 bonds (distance) P-C4' energy: -88.663 flat angles C4'-P-C4' energy: -94.500 flat angles P-C4'-P energy: -77.007 tors. eta vs tors. theta energy: -124.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -1361.718358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.718358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.718358 (E_RNA) where: Base-Base interactions energy: -949.440 where: short stacking energy: -373.270 Base-Backbone interact. energy: 1.561 local terms energy: -413.839314 where: bonds (distance) C4'-P energy: -78.106 bonds (distance) P-C4' energy: -82.399 flat angles C4'-P-C4' energy: -88.374 flat angles P-C4'-P energy: -56.974 tors. eta vs tors. theta energy: -107.986 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: 8 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -1243.233846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.233846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.233846 (E_RNA) where: Base-Base interactions energy: -824.611 where: short stacking energy: -367.783 Base-Backbone interact. energy: -2.132 local terms energy: -416.490817 where: bonds (distance) C4'-P energy: -79.990 bonds (distance) P-C4' energy: -83.878 flat angles C4'-P-C4' energy: -88.801 flat angles P-C4'-P energy: -51.896 tors. eta vs tors. theta energy: -111.926 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: 415 Temperature: 1.050000 Total energy: -1206.355478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.355478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.355478 (E_RNA) where: Base-Base interactions energy: -833.205 where: short stacking energy: -344.130 Base-Backbone interact. energy: 0.877 local terms energy: -374.027098 where: bonds (distance) C4'-P energy: -68.431 bonds (distance) P-C4' energy: -79.697 flat angles C4'-P-C4' energy: -83.257 flat angles P-C4'-P energy: -50.733 tors. eta vs tors. theta energy: -91.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -1070.535029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.535029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.535029 (E_RNA) where: Base-Base interactions energy: -730.174 where: short stacking energy: -316.819 Base-Backbone interact. energy: -1.614 local terms energy: -338.747078 where: bonds (distance) C4'-P energy: -64.661 bonds (distance) P-C4' energy: -67.229 flat angles C4'-P-C4' energy: -66.101 flat angles P-C4'-P energy: -41.316 tors. eta vs tors. theta energy: -99.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -929.416219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.416219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.416219 (E_RNA) where: Base-Base interactions energy: -573.395 where: short stacking energy: -251.309 Base-Backbone interact. energy: -2.284 local terms energy: -353.737739 where: bonds (distance) C4'-P energy: -75.668 bonds (distance) P-C4' energy: -78.966 flat angles C4'-P-C4' energy: -80.534 flat angles P-C4'-P energy: -59.223 tors. eta vs tors. theta energy: -59.346 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: 415 Temperature: 1.200000 Total energy: -894.226968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.226968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.226968 (E_RNA) where: Base-Base interactions energy: -558.948 where: short stacking energy: -255.931 Base-Backbone interact. energy: -1.053 local terms energy: -334.226099 where: bonds (distance) C4'-P energy: -72.213 bonds (distance) P-C4' energy: -70.440 flat angles C4'-P-C4' energy: -78.726 flat angles P-C4'-P energy: -46.960 tors. eta vs tors. theta energy: -65.888 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: 2 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -701.654637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.654637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.654637 (E_RNA) where: Base-Base interactions energy: -408.798 where: short stacking energy: -201.692 Base-Backbone interact. energy: -1.370 local terms energy: -291.485839 where: bonds (distance) C4'-P energy: -69.363 bonds (distance) P-C4' energy: -66.278 flat angles C4'-P-C4' energy: -71.071 flat angles P-C4'-P energy: -43.393 tors. eta vs tors. theta energy: -41.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -466.086181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.086181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.086181 (E_RNA) where: Base-Base interactions energy: -255.858 where: short stacking energy: -135.536 Base-Backbone interact. energy: 4.530 local terms energy: -214.758008 where: bonds (distance) C4'-P energy: -44.152 bonds (distance) P-C4' energy: -69.679 flat angles C4'-P-C4' energy: -48.193 flat angles P-C4'-P energy: -43.356 tors. eta vs tors. theta energy: -9.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -386.030228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.030228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.030228 (E_RNA) where: Base-Base interactions energy: -158.116 where: short stacking energy: -98.676 Base-Backbone interact. energy: 0.031 local terms energy: -227.945551 where: bonds (distance) C4'-P energy: -65.918 bonds (distance) P-C4' energy: -69.469 flat angles C4'-P-C4' energy: -48.511 flat angles P-C4'-P energy: -42.111 tors. eta vs tors. theta energy: -1.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -1374.576643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.576643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.576643 (E_RNA) where: Base-Base interactions energy: -916.919 where: short stacking energy: -404.902 Base-Backbone interact. energy: -0.221 local terms energy: -457.436866 where: bonds (distance) C4'-P energy: -81.418 bonds (distance) P-C4' energy: -84.071 flat angles C4'-P-C4' energy: -99.511 flat angles P-C4'-P energy: -67.414 tors. eta vs tors. theta energy: -125.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -1348.856505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.856505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.856505 (E_RNA) where: Base-Base interactions energy: -926.804 where: short stacking energy: -386.085 Base-Backbone interact. energy: -0.744 local terms energy: -421.308901 where: bonds (distance) C4'-P energy: -75.377 bonds (distance) P-C4' energy: -74.990 flat angles C4'-P-C4' energy: -95.268 flat angles P-C4'-P energy: -61.830 tors. eta vs tors. theta energy: -113.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -1286.972211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.972211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.972211 (E_RNA) where: Base-Base interactions energy: -892.371 where: short stacking energy: -392.639 Base-Backbone interact. energy: -1.897 local terms energy: -392.703884 where: bonds (distance) C4'-P energy: -69.722 bonds (distance) P-C4' energy: -85.254 flat angles C4'-P-C4' energy: -78.436 flat angles P-C4'-P energy: -54.854 tors. eta vs tors. theta energy: -104.438 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: 8 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -1194.278754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.278754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.278754 (E_RNA) where: Base-Base interactions energy: -826.466 where: short stacking energy: -360.885 Base-Backbone interact. energy: -0.355 local terms energy: -367.457711 where: bonds (distance) C4'-P energy: -66.640 bonds (distance) P-C4' energy: -68.081 flat angles C4'-P-C4' energy: -76.016 flat angles P-C4'-P energy: -53.312 tors. eta vs tors. theta energy: -103.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -1096.742513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.742513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.742513 (E_RNA) where: Base-Base interactions energy: -726.839 where: short stacking energy: -309.503 Base-Backbone interact. energy: -1.638 local terms energy: -368.264987 where: bonds (distance) C4'-P energy: -72.923 bonds (distance) P-C4' energy: -79.794 flat angles C4'-P-C4' energy: -79.367 flat angles P-C4'-P energy: -47.126 tors. eta vs tors. theta energy: -89.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -924.488274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.488274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.488274 (E_RNA) where: Base-Base interactions energy: -607.869 where: short stacking energy: -264.203 Base-Backbone interact. energy: 0.307 local terms energy: -316.926362 where: bonds (distance) C4'-P energy: -68.846 bonds (distance) P-C4' energy: -80.016 flat angles C4'-P-C4' energy: -64.354 flat angles P-C4'-P energy: -46.766 tors. eta vs tors. theta energy: -56.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -850.495561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.495561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.495561 (E_RNA) where: Base-Base interactions energy: -549.849 where: short stacking energy: -229.037 Base-Backbone interact. energy: 2.841 local terms energy: -303.487176 where: bonds (distance) C4'-P energy: -71.622 bonds (distance) P-C4' energy: -77.480 flat angles C4'-P-C4' energy: -70.258 flat angles P-C4'-P energy: -41.031 tors. eta vs tors. theta energy: -43.096 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: 2 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -744.071655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.071655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.071655 (E_RNA) where: Base-Base interactions energy: -473.493 where: short stacking energy: -230.739 Base-Backbone interact. energy: 1.401 local terms energy: -271.978924 where: bonds (distance) C4'-P energy: -55.805 bonds (distance) P-C4' energy: -53.222 flat angles C4'-P-C4' energy: -74.467 flat angles P-C4'-P energy: -49.304 tors. eta vs tors. theta energy: -39.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -484.196173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.196173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.196173 (E_RNA) where: Base-Base interactions energy: -242.041 where: short stacking energy: -135.585 Base-Backbone interact. energy: -1.206 local terms energy: -240.948973 where: bonds (distance) C4'-P energy: -58.339 bonds (distance) P-C4' energy: -72.033 flat angles C4'-P-C4' energy: -62.288 flat angles P-C4'-P energy: -39.052 tors. eta vs tors. theta energy: -9.237 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: 10, replica: 10 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -415.781046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.781046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.781046 (E_RNA) where: Base-Base interactions energy: -203.548 where: short stacking energy: -136.556 Base-Backbone interact. energy: 4.007 local terms energy: -216.239937 where: bonds (distance) C4'-P energy: -55.270 bonds (distance) P-C4' energy: -70.925 flat angles C4'-P-C4' energy: -42.810 flat angles P-C4'-P energy: -41.772 tors. eta vs tors. theta energy: -5.464 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: 417 Temperature: 0.900000 Total energy: -1381.771013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.771013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.771013 (E_RNA) where: Base-Base interactions energy: -942.612 where: short stacking energy: -419.312 Base-Backbone interact. energy: 0.809 local terms energy: -439.967354 where: bonds (distance) C4'-P energy: -92.274 bonds (distance) P-C4' energy: -74.945 flat angles C4'-P-C4' energy: -86.716 flat angles P-C4'-P energy: -61.770 tors. eta vs tors. theta energy: -124.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -1355.636010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.636010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.636010 (E_RNA) where: Base-Base interactions energy: -929.963 where: short stacking energy: -388.597 Base-Backbone interact. energy: -2.417 local terms energy: -423.255510 where: bonds (distance) C4'-P energy: -75.843 bonds (distance) P-C4' energy: -92.004 flat angles C4'-P-C4' energy: -92.379 flat angles P-C4'-P energy: -50.185 tors. eta vs tors. theta energy: -112.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -1259.838449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.838449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.838449 (E_RNA) where: Base-Base interactions energy: -858.838 where: short stacking energy: -362.931 Base-Backbone interact. energy: -1.609 local terms energy: -399.391689 where: bonds (distance) C4'-P energy: -77.765 bonds (distance) P-C4' energy: -78.631 flat angles C4'-P-C4' energy: -70.110 flat angles P-C4'-P energy: -66.987 tors. eta vs tors. theta energy: -105.898 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: 8 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -1171.969167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.969167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.969167 (E_RNA) where: Base-Base interactions energy: -775.139 where: short stacking energy: -352.792 Base-Backbone interact. energy: -0.701 local terms energy: -396.129129 where: bonds (distance) C4'-P energy: -73.029 bonds (distance) P-C4' energy: -66.267 flat angles C4'-P-C4' energy: -92.453 flat angles P-C4'-P energy: -54.473 tors. eta vs tors. theta energy: -109.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -1129.037338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.037338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.037338 (E_RNA) where: Base-Base interactions energy: -734.770 where: short stacking energy: -327.752 Base-Backbone interact. energy: 1.500 local terms energy: -395.767221 where: bonds (distance) C4'-P energy: -73.176 bonds (distance) P-C4' energy: -85.112 flat angles C4'-P-C4' energy: -86.621 flat angles P-C4'-P energy: -52.792 tors. eta vs tors. theta energy: -98.065 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: 6, replica: 1 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -906.052540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.052540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.052540 (E_RNA) where: Base-Base interactions energy: -568.868 where: short stacking energy: -267.096 Base-Backbone interact. energy: 0.180 local terms energy: -337.364934 where: bonds (distance) C4'-P energy: -82.838 bonds (distance) P-C4' energy: -62.453 flat angles C4'-P-C4' energy: -66.791 flat angles P-C4'-P energy: -52.394 tors. eta vs tors. theta energy: -72.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -847.371324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.371324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.371324 (E_RNA) where: Base-Base interactions energy: -534.261 where: short stacking energy: -233.534 Base-Backbone interact. energy: -1.257 local terms energy: -311.853471 where: bonds (distance) C4'-P energy: -78.305 bonds (distance) P-C4' energy: -71.731 flat angles C4'-P-C4' energy: -69.482 flat angles P-C4'-P energy: -49.230 tors. eta vs tors. theta energy: -43.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -689.049643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.049643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.049643 (E_RNA) where: Base-Base interactions energy: -407.187 where: short stacking energy: -189.191 Base-Backbone interact. energy: -2.421 local terms energy: -279.442330 where: bonds (distance) C4'-P energy: -61.485 bonds (distance) P-C4' energy: -63.215 flat angles C4'-P-C4' energy: -71.561 flat angles P-C4'-P energy: -41.755 tors. eta vs tors. theta energy: -41.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -468.695124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.695124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.695124 (E_RNA) where: Base-Base interactions energy: -237.828 where: short stacking energy: -141.174 Base-Backbone interact. energy: 1.534 local terms energy: -232.401370 where: bonds (distance) C4'-P energy: -60.978 bonds (distance) P-C4' energy: -73.291 flat angles C4'-P-C4' energy: -62.461 flat angles P-C4'-P energy: -23.073 tors. eta vs tors. theta energy: -12.598 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: 10 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -397.068757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.068757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.068757 (E_RNA) where: Base-Base interactions energy: -180.642 where: short stacking energy: -108.115 Base-Backbone interact. energy: 3.332 local terms energy: -219.758988 where: bonds (distance) C4'-P energy: -54.028 bonds (distance) P-C4' energy: -69.175 flat angles C4'-P-C4' energy: -64.801 flat angles P-C4'-P energy: -24.373 tors. eta vs tors. theta energy: -7.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -1375.947745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.947745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.947745 (E_RNA) where: Base-Base interactions energy: -961.886 where: short stacking energy: -405.680 Base-Backbone interact. energy: -1.575 local terms energy: -412.487022 where: bonds (distance) C4'-P energy: -83.071 bonds (distance) P-C4' energy: -84.977 flat angles C4'-P-C4' energy: -90.234 flat angles P-C4'-P energy: -47.148 tors. eta vs tors. theta energy: -107.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -1355.615383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.615383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.615383 (E_RNA) where: Base-Base interactions energy: -926.759 where: short stacking energy: -400.949 Base-Backbone interact. energy: -0.920 local terms energy: -427.936830 where: bonds (distance) C4'-P energy: -88.002 bonds (distance) P-C4' energy: -84.243 flat angles C4'-P-C4' energy: -82.147 flat angles P-C4'-P energy: -53.117 tors. eta vs tors. theta energy: -120.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -1279.371455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.371455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.371455 (E_RNA) where: Base-Base interactions energy: -875.742 where: short stacking energy: -378.214 Base-Backbone interact. energy: -0.350 local terms energy: -403.278939 where: bonds (distance) C4'-P energy: -67.348 bonds (distance) P-C4' energy: -72.683 flat angles C4'-P-C4' energy: -90.778 flat angles P-C4'-P energy: -65.336 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: 4, replica: 8 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -1170.630300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.630300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.630300 (E_RNA) where: Base-Base interactions energy: -780.078 where: short stacking energy: -329.804 Base-Backbone interact. energy: 0.177 local terms energy: -390.728426 where: bonds (distance) C4'-P energy: -81.124 bonds (distance) P-C4' energy: -81.832 flat angles C4'-P-C4' energy: -87.447 flat angles P-C4'-P energy: -44.418 tors. eta vs tors. theta energy: -95.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -1087.927102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.927102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.927102 (E_RNA) where: Base-Base interactions energy: -704.310 where: short stacking energy: -317.626 Base-Backbone interact. energy: 0.843 local terms energy: -384.460243 where: bonds (distance) C4'-P energy: -70.636 bonds (distance) P-C4' energy: -80.857 flat angles C4'-P-C4' energy: -88.655 flat angles P-C4'-P energy: -44.973 tors. eta vs tors. theta energy: -99.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -865.726820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.726820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.726820 (E_RNA) where: Base-Base interactions energy: -516.916 where: short stacking energy: -268.285 Base-Backbone interact. energy: 2.240 local terms energy: -351.050957 where: bonds (distance) C4'-P energy: -61.811 bonds (distance) P-C4' energy: -83.025 flat angles C4'-P-C4' energy: -84.434 flat angles P-C4'-P energy: -51.454 tors. eta vs tors. theta energy: -70.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -846.688120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.688120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.688120 (E_RNA) where: Base-Base interactions energy: -553.464 where: short stacking energy: -252.755 Base-Backbone interact. energy: 3.924 local terms energy: -297.147561 where: bonds (distance) C4'-P energy: -59.285 bonds (distance) P-C4' energy: -70.137 flat angles C4'-P-C4' energy: -70.055 flat angles P-C4'-P energy: -42.813 tors. eta vs tors. theta energy: -54.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -717.848088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.848088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.848088 (E_RNA) where: Base-Base interactions energy: -424.504 where: short stacking energy: -186.455 Base-Backbone interact. energy: -0.721 local terms energy: -292.623256 where: bonds (distance) C4'-P energy: -65.722 bonds (distance) P-C4' energy: -74.977 flat angles C4'-P-C4' energy: -75.976 flat angles P-C4'-P energy: -46.696 tors. eta vs tors. theta energy: -29.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -414.888402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.888402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.888402 (E_RNA) where: Base-Base interactions energy: -196.662 where: short stacking energy: -115.657 Base-Backbone interact. energy: -1.720 local terms energy: -216.506295 where: bonds (distance) C4'-P energy: -55.612 bonds (distance) P-C4' energy: -63.149 flat angles C4'-P-C4' energy: -57.454 flat angles P-C4'-P energy: -38.207 tors. eta vs tors. theta energy: -2.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -338.140784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.140784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.140784 (E_RNA) where: Base-Base interactions energy: -120.087 where: short stacking energy: -89.990 Base-Backbone interact. energy: 2.368 local terms energy: -220.421768 where: bonds (distance) C4'-P energy: -60.646 bonds (distance) P-C4' energy: -67.602 flat angles C4'-P-C4' energy: -44.918 flat angles P-C4'-P energy: -46.076 tors. eta vs tors. theta energy: -1.180 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: 3 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -1358.978021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.978021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.978021 (E_RNA) where: Base-Base interactions energy: -925.649 where: short stacking energy: -379.310 Base-Backbone interact. energy: 1.034 local terms energy: -434.363783 where: bonds (distance) C4'-P energy: -81.055 bonds (distance) P-C4' energy: -86.955 flat angles C4'-P-C4' energy: -96.728 flat angles P-C4'-P energy: -62.651 tors. eta vs tors. theta energy: -106.975 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: 7 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -1393.279938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.279938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.279938 (E_RNA) where: Base-Base interactions energy: -962.666 where: short stacking energy: -409.358 Base-Backbone interact. energy: -0.508 local terms energy: -430.106196 where: bonds (distance) C4'-P energy: -74.486 bonds (distance) P-C4' energy: -77.119 flat angles C4'-P-C4' energy: -93.617 flat angles P-C4'-P energy: -55.876 tors. eta vs tors. theta energy: -129.009 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: 3, replica: 9 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -1265.863281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.863281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.863281 (E_RNA) where: Base-Base interactions energy: -868.642 where: short stacking energy: -362.869 Base-Backbone interact. energy: -1.283 local terms energy: -395.937549 where: bonds (distance) C4'-P energy: -79.262 bonds (distance) P-C4' energy: -76.008 flat angles C4'-P-C4' energy: -85.944 flat angles P-C4'-P energy: -54.286 tors. eta vs tors. theta energy: -100.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -1200.612844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.612844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.612844 (E_RNA) where: Base-Base interactions energy: -816.909 where: short stacking energy: -378.604 Base-Backbone interact. energy: -2.355 local terms energy: -381.348189 where: bonds (distance) C4'-P energy: -72.579 bonds (distance) P-C4' energy: -63.356 flat angles C4'-P-C4' energy: -83.134 flat angles P-C4'-P energy: -57.341 tors. eta vs tors. theta energy: -104.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -1176.599643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.599643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.599643 (E_RNA) where: Base-Base interactions energy: -789.513 where: short stacking energy: -356.989 Base-Backbone interact. energy: -0.578 local terms energy: -386.508450 where: bonds (distance) C4'-P energy: -57.652 bonds (distance) P-C4' energy: -78.448 flat angles C4'-P-C4' energy: -74.062 flat angles P-C4'-P energy: -70.453 tors. eta vs tors. theta energy: -105.894 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: 1 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -875.651830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.651830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.651830 (E_RNA) where: Base-Base interactions energy: -586.850 where: short stacking energy: -248.994 Base-Backbone interact. energy: 4.592 local terms energy: -293.393725 where: bonds (distance) C4'-P energy: -62.732 bonds (distance) P-C4' energy: -61.326 flat angles C4'-P-C4' energy: -76.258 flat angles P-C4'-P energy: -36.407 tors. eta vs tors. theta energy: -56.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -858.473150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.473150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.473150 (E_RNA) where: Base-Base interactions energy: -529.069 where: short stacking energy: -243.557 Base-Backbone interact. energy: -3.782 local terms energy: -325.621730 where: bonds (distance) C4'-P energy: -81.784 bonds (distance) P-C4' energy: -63.052 flat angles C4'-P-C4' energy: -75.870 flat angles P-C4'-P energy: -51.024 tors. eta vs tors. theta energy: -53.891 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: 2 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -701.177769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.177769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.177769 (E_RNA) where: Base-Base interactions energy: -418.104 where: short stacking energy: -198.444 Base-Backbone interact. energy: -2.052 local terms energy: -281.021655 where: bonds (distance) C4'-P energy: -63.414 bonds (distance) P-C4' energy: -65.130 flat angles C4'-P-C4' energy: -67.652 flat angles P-C4'-P energy: -40.449 tors. eta vs tors. theta energy: -44.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -463.054713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.054713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.054713 (E_RNA) where: Base-Base interactions energy: -227.193 where: short stacking energy: -121.665 Base-Backbone interact. energy: 0.212 local terms energy: -236.074331 where: bonds (distance) C4'-P energy: -67.822 bonds (distance) P-C4' energy: -69.020 flat angles C4'-P-C4' energy: -56.111 flat angles P-C4'-P energy: -38.575 tors. eta vs tors. theta energy: -4.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -340.452305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.452305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.452305 (E_RNA) where: Base-Base interactions energy: -139.728 where: short stacking energy: -99.212 Base-Backbone interact. energy: 3.425 local terms energy: -204.149162 where: bonds (distance) C4'-P energy: -76.399 bonds (distance) P-C4' energy: -58.746 flat angles C4'-P-C4' energy: -50.557 flat angles P-C4'-P energy: -28.652 tors. eta vs tors. theta energy: 10.204 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: 7 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -1391.262187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.262187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.262187 (E_RNA) where: Base-Base interactions energy: -947.971 where: short stacking energy: -418.934 Base-Backbone interact. energy: 0.921 local terms energy: -444.211911 where: bonds (distance) C4'-P energy: -71.060 bonds (distance) P-C4' energy: -91.138 flat angles C4'-P-C4' energy: -90.948 flat angles P-C4'-P energy: -63.621 tors. eta vs tors. theta energy: -127.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -1348.723746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.723746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.723746 (E_RNA) where: Base-Base interactions energy: -932.496 where: short stacking energy: -386.794 Base-Backbone interact. energy: -3.835 local terms energy: -412.392404 where: bonds (distance) C4'-P energy: -76.183 bonds (distance) P-C4' energy: -84.231 flat angles C4'-P-C4' energy: -89.357 flat angles P-C4'-P energy: -51.241 tors. eta vs tors. theta energy: -111.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -1257.669693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.669693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.669693 (E_RNA) where: Base-Base interactions energy: -858.304 where: short stacking energy: -377.763 Base-Backbone interact. energy: -0.808 local terms energy: -398.557316 where: bonds (distance) C4'-P energy: -73.665 bonds (distance) P-C4' energy: -78.335 flat angles C4'-P-C4' energy: -87.551 flat angles P-C4'-P energy: -46.228 tors. eta vs tors. theta energy: -112.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -1147.033516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.033516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.033516 (E_RNA) where: Base-Base interactions energy: -763.427 where: short stacking energy: -339.610 Base-Backbone interact. energy: -1.668 local terms energy: -381.938549 where: bonds (distance) C4'-P energy: -64.640 bonds (distance) P-C4' energy: -79.842 flat angles C4'-P-C4' energy: -89.854 flat angles P-C4'-P energy: -53.306 tors. eta vs tors. theta energy: -94.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -1161.886743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.886743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.886743 (E_RNA) where: Base-Base interactions energy: -772.786 where: short stacking energy: -350.589 Base-Backbone interact. energy: 1.715 local terms energy: -390.815358 where: bonds (distance) C4'-P energy: -82.521 bonds (distance) P-C4' energy: -76.785 flat angles C4'-P-C4' energy: -75.847 flat angles P-C4'-P energy: -51.479 tors. eta vs tors. theta energy: -104.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -916.592054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.592054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.592054 (E_RNA) where: Base-Base interactions energy: -593.442 where: short stacking energy: -248.995 Base-Backbone interact. energy: 0.156 local terms energy: -323.306053 where: bonds (distance) C4'-P energy: -61.649 bonds (distance) P-C4' energy: -72.112 flat angles C4'-P-C4' energy: -78.227 flat angles P-C4'-P energy: -47.288 tors. eta vs tors. theta energy: -64.030 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: 5 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -832.747394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.747394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.747394 (E_RNA) where: Base-Base interactions energy: -528.342 where: short stacking energy: -243.603 Base-Backbone interact. energy: -1.631 local terms energy: -302.775078 where: bonds (distance) C4'-P energy: -56.642 bonds (distance) P-C4' energy: -81.558 flat angles C4'-P-C4' energy: -76.856 flat angles P-C4'-P energy: -37.402 tors. eta vs tors. theta energy: -50.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -686.702262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.702262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.702262 (E_RNA) where: Base-Base interactions energy: -386.870 where: short stacking energy: -181.812 Base-Backbone interact. energy: -1.677 local terms energy: -298.154821 where: bonds (distance) C4'-P energy: -72.586 bonds (distance) P-C4' energy: -82.360 flat angles C4'-P-C4' energy: -82.005 flat angles P-C4'-P energy: -27.660 tors. eta vs tors. theta energy: -33.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -493.812347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.812347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.812347 (E_RNA) where: Base-Base interactions energy: -254.953 where: short stacking energy: -130.131 Base-Backbone interact. energy: 0.748 local terms energy: -239.607072 where: bonds (distance) C4'-P energy: -55.648 bonds (distance) P-C4' energy: -76.114 flat angles C4'-P-C4' energy: -60.429 flat angles P-C4'-P energy: -30.768 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: 10, replica: 10 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -338.235263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.235263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.235263 (E_RNA) where: Base-Base interactions energy: -148.333 where: short stacking energy: -107.564 Base-Backbone interact. energy: 0.453 local terms energy: -190.354795 where: bonds (distance) C4'-P energy: -61.645 bonds (distance) P-C4' energy: -68.787 flat angles C4'-P-C4' energy: -46.824 flat angles P-C4'-P energy: -19.715 tors. eta vs tors. theta energy: 6.616 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: 1, replica: 7 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -1381.305010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.305010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.305010 (E_RNA) where: Base-Base interactions energy: -934.431 where: short stacking energy: -405.436 Base-Backbone interact. energy: -1.138 local terms energy: -445.735555 where: bonds (distance) C4'-P energy: -75.942 bonds (distance) P-C4' energy: -81.067 flat angles C4'-P-C4' energy: -91.549 flat angles P-C4'-P energy: -67.397 tors. eta vs tors. theta energy: -129.781 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: 3 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -1335.636071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.636071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.636071 (E_RNA) where: Base-Base interactions energy: -935.753 where: short stacking energy: -383.210 Base-Backbone interact. energy: -3.317 local terms energy: -396.565344 where: bonds (distance) C4'-P energy: -75.569 bonds (distance) P-C4' energy: -79.183 flat angles C4'-P-C4' energy: -78.557 flat angles P-C4'-P energy: -59.190 tors. eta vs tors. theta energy: -104.066 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: 3, replica: 9 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -1278.687793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.687793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.687793 (E_RNA) where: Base-Base interactions energy: -858.902 where: short stacking energy: -385.593 Base-Backbone interact. energy: -1.164 local terms energy: -418.621878 where: bonds (distance) C4'-P energy: -74.296 bonds (distance) P-C4' energy: -79.812 flat angles C4'-P-C4' energy: -92.337 flat angles P-C4'-P energy: -56.465 tors. eta vs tors. theta energy: -115.712 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: 4, replica: 8 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -1183.735632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.735632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.735632 (E_RNA) where: Base-Base interactions energy: -784.888 where: short stacking energy: -351.834 Base-Backbone interact. energy: 1.512 local terms energy: -400.358890 where: bonds (distance) C4'-P energy: -77.358 bonds (distance) P-C4' energy: -74.910 flat angles C4'-P-C4' energy: -89.179 flat angles P-C4'-P energy: -58.789 tors. eta vs tors. theta energy: -100.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -1120.098854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.098854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.098854 (E_RNA) where: Base-Base interactions energy: -728.084 where: short stacking energy: -328.948 Base-Backbone interact. energy: 1.897 local terms energy: -393.911971 where: bonds (distance) C4'-P energy: -76.609 bonds (distance) P-C4' energy: -81.600 flat angles C4'-P-C4' energy: -80.371 flat angles P-C4'-P energy: -56.756 tors. eta vs tors. theta energy: -98.576 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: 6, replica: 1 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -967.731092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.731092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.731092 (E_RNA) where: Base-Base interactions energy: -620.994 where: short stacking energy: -259.765 Base-Backbone interact. energy: 0.564 local terms energy: -347.300910 where: bonds (distance) C4'-P energy: -62.172 bonds (distance) P-C4' energy: -87.695 flat angles C4'-P-C4' energy: -72.866 flat angles P-C4'-P energy: -58.926 tors. eta vs tors. theta energy: -65.642 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: 5 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -844.296953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.296953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.296953 (E_RNA) where: Base-Base interactions energy: -539.816 where: short stacking energy: -237.311 Base-Backbone interact. energy: -1.231 local terms energy: -303.250381 where: bonds (distance) C4'-P energy: -66.135 bonds (distance) P-C4' energy: -65.222 flat angles C4'-P-C4' energy: -72.114 flat angles P-C4'-P energy: -30.135 tors. eta vs tors. theta energy: -69.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -704.204431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.204431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.204431 (E_RNA) where: Base-Base interactions energy: -399.775 where: short stacking energy: -194.823 Base-Backbone interact. energy: -0.546 local terms energy: -303.883540 where: bonds (distance) C4'-P energy: -65.982 bonds (distance) P-C4' energy: -76.153 flat angles C4'-P-C4' energy: -76.792 flat angles P-C4'-P energy: -36.286 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: 9, replica: 4 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -518.532939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.532939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.532939 (E_RNA) where: Base-Base interactions energy: -283.834 where: short stacking energy: -147.692 Base-Backbone interact. energy: 0.898 local terms energy: -235.596325 where: bonds (distance) C4'-P energy: -56.137 bonds (distance) P-C4' energy: -78.734 flat angles C4'-P-C4' energy: -66.043 flat angles P-C4'-P energy: -36.109 tors. eta vs tors. theta energy: 1.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -342.395804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.395804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.395804 (E_RNA) where: Base-Base interactions energy: -151.172 where: short stacking energy: -106.585 Base-Backbone interact. energy: -1.039 local terms energy: -190.184695 where: bonds (distance) C4'-P energy: -58.308 bonds (distance) P-C4' energy: -65.291 flat angles C4'-P-C4' energy: -40.311 flat angles P-C4'-P energy: -40.312 tors. eta vs tors. theta energy: 14.037 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: 3 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -1397.390071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.390071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.390071 (E_RNA) where: Base-Base interactions energy: -967.922 where: short stacking energy: -388.373 Base-Backbone interact. energy: 1.072 local terms energy: -430.540737 where: bonds (distance) C4'-P energy: -76.915 bonds (distance) P-C4' energy: -82.874 flat angles C4'-P-C4' energy: -98.684 flat angles P-C4'-P energy: -65.532 tors. eta vs tors. theta energy: -106.536 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: 7 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -1370.950065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.950065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.950065 (E_RNA) where: Base-Base interactions energy: -937.400 where: short stacking energy: -428.032 Base-Backbone interact. energy: -0.631 local terms energy: -432.919054 where: bonds (distance) C4'-P energy: -72.012 bonds (distance) P-C4' energy: -78.129 flat angles C4'-P-C4' energy: -88.776 flat angles P-C4'-P energy: -61.191 tors. eta vs tors. theta energy: -132.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -1247.068021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.068021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.068021 (E_RNA) where: Base-Base interactions energy: -846.134 where: short stacking energy: -361.311 Base-Backbone interact. energy: -2.153 local terms energy: -398.780887 where: bonds (distance) C4'-P energy: -71.447 bonds (distance) P-C4' energy: -79.319 flat angles C4'-P-C4' energy: -90.569 flat angles P-C4'-P energy: -57.459 tors. eta vs tors. theta energy: -99.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -1191.133211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.133211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.133211 (E_RNA) where: Base-Base interactions energy: -792.590 where: short stacking energy: -334.338 Base-Backbone interact. energy: 0.781 local terms energy: -399.324188 where: bonds (distance) C4'-P energy: -75.459 bonds (distance) P-C4' energy: -84.885 flat angles C4'-P-C4' energy: -82.123 flat angles P-C4'-P energy: -51.979 tors. eta vs tors. theta energy: -104.878 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: 6 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -1126.813824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.813824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.813824 (E_RNA) where: Base-Base interactions energy: -775.650 where: short stacking energy: -333.660 Base-Backbone interact. energy: -1.334 local terms energy: -349.830261 where: bonds (distance) C4'-P energy: -64.172 bonds (distance) P-C4' energy: -77.549 flat angles C4'-P-C4' energy: -80.495 flat angles P-C4'-P energy: -25.852 tors. eta vs tors. theta energy: -101.763 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: 1 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -926.894304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.894304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.894304 (E_RNA) where: Base-Base interactions energy: -603.266 where: short stacking energy: -272.936 Base-Backbone interact. energy: -2.269 local terms energy: -321.358704 where: bonds (distance) C4'-P energy: -73.782 bonds (distance) P-C4' energy: -80.573 flat angles C4'-P-C4' energy: -65.638 flat angles P-C4'-P energy: -40.734 tors. eta vs tors. theta energy: -60.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -884.309680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.309680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.309680 (E_RNA) where: Base-Base interactions energy: -561.777 where: short stacking energy: -264.601 Base-Backbone interact. energy: -0.670 local terms energy: -321.862851 where: bonds (distance) C4'-P energy: -68.227 bonds (distance) P-C4' energy: -70.282 flat angles C4'-P-C4' energy: -67.602 flat angles P-C4'-P energy: -49.298 tors. eta vs tors. theta energy: -66.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -653.521576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.521576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.521576 (E_RNA) where: Base-Base interactions energy: -373.750 where: short stacking energy: -183.489 Base-Backbone interact. energy: -1.277 local terms energy: -278.494814 where: bonds (distance) C4'-P energy: -70.071 bonds (distance) P-C4' energy: -59.272 flat angles C4'-P-C4' energy: -76.718 flat angles P-C4'-P energy: -40.114 tors. eta vs tors. theta energy: -32.320 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: 4 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -532.094403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.094403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.094403 (E_RNA) where: Base-Base interactions energy: -286.696 where: short stacking energy: -132.606 Base-Backbone interact. energy: -0.971 local terms energy: -244.427318 where: bonds (distance) C4'-P energy: -63.214 bonds (distance) P-C4' energy: -63.175 flat angles C4'-P-C4' energy: -70.422 flat angles P-C4'-P energy: -32.886 tors. eta vs tors. theta energy: -14.730 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: 10 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -331.719318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.719318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.719318 (E_RNA) where: Base-Base interactions energy: -128.739 where: short stacking energy: -109.144 Base-Backbone interact. energy: 2.159 local terms energy: -205.139588 where: bonds (distance) C4'-P energy: -58.587 bonds (distance) P-C4' energy: -62.842 flat angles C4'-P-C4' energy: -60.360 flat angles P-C4'-P energy: -32.966 tors. eta vs tors. theta energy: 9.616 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: 1, replica: 3 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -1399.026222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.026222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.026222 (E_RNA) where: Base-Base interactions energy: -965.763 where: short stacking energy: -403.653 Base-Backbone interact. energy: -1.877 local terms energy: -431.386652 where: bonds (distance) C4'-P energy: -79.275 bonds (distance) P-C4' energy: -83.024 flat angles C4'-P-C4' energy: -89.899 flat angles P-C4'-P energy: -64.767 tors. eta vs tors. theta energy: -114.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -1307.418922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.418922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.418922 (E_RNA) where: Base-Base interactions energy: -889.673 where: short stacking energy: -379.395 Base-Backbone interact. energy: -1.739 local terms energy: -416.007213 where: bonds (distance) C4'-P energy: -76.849 bonds (distance) P-C4' energy: -86.396 flat angles C4'-P-C4' energy: -86.056 flat angles P-C4'-P energy: -51.836 tors. eta vs tors. theta energy: -114.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -1336.875989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.875989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.875989 (E_RNA) where: Base-Base interactions energy: -935.168 where: short stacking energy: -381.316 Base-Backbone interact. energy: 1.199 local terms energy: -402.906567 where: bonds (distance) C4'-P energy: -75.992 bonds (distance) P-C4' energy: -73.307 flat angles C4'-P-C4' energy: -86.887 flat angles P-C4'-P energy: -54.507 tors. eta vs tors. theta energy: -112.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -1195.248207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.248207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.248207 (E_RNA) where: Base-Base interactions energy: -813.015 where: short stacking energy: -362.947 Base-Backbone interact. energy: 1.335 local terms energy: -383.568679 where: bonds (distance) C4'-P energy: -60.648 bonds (distance) P-C4' energy: -65.794 flat angles C4'-P-C4' energy: -93.281 flat angles P-C4'-P energy: -53.297 tors. eta vs tors. theta energy: -110.549 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: 6 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -1149.790803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.790803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.790803 (E_RNA) where: Base-Base interactions energy: -755.390 where: short stacking energy: -337.010 Base-Backbone interact. energy: -1.735 local terms energy: -392.665324 where: bonds (distance) C4'-P energy: -81.204 bonds (distance) P-C4' energy: -71.857 flat angles C4'-P-C4' energy: -87.353 flat angles P-C4'-P energy: -47.588 tors. eta vs tors. theta energy: -104.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -971.996425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.996425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.996425 (E_RNA) where: Base-Base interactions energy: -642.782 where: short stacking energy: -295.516 Base-Backbone interact. energy: -2.127 local terms energy: -327.087854 where: bonds (distance) C4'-P energy: -55.873 bonds (distance) P-C4' energy: -74.735 flat angles C4'-P-C4' energy: -70.707 flat angles P-C4'-P energy: -52.293 tors. eta vs tors. theta energy: -73.481 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: 5 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -881.508967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.508967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.508967 (E_RNA) where: Base-Base interactions energy: -578.537 where: short stacking energy: -237.818 Base-Backbone interact. energy: -1.254 local terms energy: -301.718613 where: bonds (distance) C4'-P energy: -72.028 bonds (distance) P-C4' energy: -72.861 flat angles C4'-P-C4' energy: -60.520 flat angles P-C4'-P energy: -42.980 tors. eta vs tors. theta energy: -53.329 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: 2 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -672.580675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.580675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.580675 (E_RNA) where: Base-Base interactions energy: -408.738 where: short stacking energy: -199.277 Base-Backbone interact. energy: -1.148 local terms energy: -262.694760 where: bonds (distance) C4'-P energy: -61.568 bonds (distance) P-C4' energy: -73.243 flat angles C4'-P-C4' energy: -50.807 flat angles P-C4'-P energy: -37.300 tors. eta vs tors. theta energy: -39.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -526.550099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.550099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.550099 (E_RNA) where: Base-Base interactions energy: -275.425 where: short stacking energy: -139.385 Base-Backbone interact. energy: -0.082 local terms energy: -251.043226 where: bonds (distance) C4'-P energy: -72.093 bonds (distance) P-C4' energy: -78.222 flat angles C4'-P-C4' energy: -58.635 flat angles P-C4'-P energy: -29.900 tors. eta vs tors. theta energy: -12.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -314.467132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.467132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.467132 (E_RNA) where: Base-Base interactions energy: -132.004 where: short stacking energy: -111.282 Base-Backbone interact. energy: 0.634 local terms energy: -183.097145 where: bonds (distance) C4'-P energy: -58.810 bonds (distance) P-C4' energy: -59.926 flat angles C4'-P-C4' energy: -51.127 flat angles P-C4'-P energy: -27.836 tors. eta vs tors. theta energy: 14.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -1412.067767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.067767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.067767 (E_RNA) where: Base-Base interactions energy: -976.414 where: short stacking energy: -412.439 Base-Backbone interact. energy: -2.400 local terms energy: -433.253285 where: bonds (distance) C4'-P energy: -85.565 bonds (distance) P-C4' energy: -80.923 flat angles C4'-P-C4' energy: -96.530 flat angles P-C4'-P energy: -58.774 tors. eta vs tors. theta energy: -111.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -1315.098548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.098548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.098548 (E_RNA) where: Base-Base interactions energy: -908.102 where: short stacking energy: -383.066 Base-Backbone interact. energy: -1.330 local terms energy: -405.666497 where: bonds (distance) C4'-P energy: -73.532 bonds (distance) P-C4' energy: -76.047 flat angles C4'-P-C4' energy: -92.843 flat angles P-C4'-P energy: -57.416 tors. eta vs tors. theta energy: -105.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -1322.785934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.785934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.785934 (E_RNA) where: Base-Base interactions energy: -886.620 where: short stacking energy: -382.649 Base-Backbone interact. energy: -0.596 local terms energy: -435.570564 where: bonds (distance) C4'-P energy: -83.476 bonds (distance) P-C4' energy: -90.820 flat angles C4'-P-C4' energy: -87.138 flat angles P-C4'-P energy: -51.050 tors. eta vs tors. theta energy: -123.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -1191.968167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.968167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.968167 (E_RNA) where: Base-Base interactions energy: -787.785 where: short stacking energy: -341.812 Base-Backbone interact. energy: 0.756 local terms energy: -404.939782 where: bonds (distance) C4'-P energy: -77.264 bonds (distance) P-C4' energy: -84.372 flat angles C4'-P-C4' energy: -76.704 flat angles P-C4'-P energy: -65.253 tors. eta vs tors. theta energy: -101.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -1011.706759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.706759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.706759 (E_RNA) where: Base-Base interactions energy: -668.309 where: short stacking energy: -290.559 Base-Backbone interact. energy: -0.827 local terms energy: -342.570370 where: bonds (distance) C4'-P energy: -58.059 bonds (distance) P-C4' energy: -81.796 flat angles C4'-P-C4' energy: -69.659 flat angles P-C4'-P energy: -55.738 tors. eta vs tors. theta energy: -77.318 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: 6 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -1014.997329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.997329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.997329 (E_RNA) where: Base-Base interactions energy: -676.263 where: short stacking energy: -278.637 Base-Backbone interact. energy: 0.956 local terms energy: -339.690460 where: bonds (distance) C4'-P energy: -63.098 bonds (distance) P-C4' energy: -67.646 flat angles C4'-P-C4' energy: -73.990 flat angles P-C4'-P energy: -60.609 tors. eta vs tors. theta energy: -74.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -886.190023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.190023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.190023 (E_RNA) where: Base-Base interactions energy: -579.503 where: short stacking energy: -260.783 Base-Backbone interact. energy: 1.103 local terms energy: -307.789477 where: bonds (distance) C4'-P energy: -65.105 bonds (distance) P-C4' energy: -59.995 flat angles C4'-P-C4' energy: -77.096 flat angles P-C4'-P energy: -45.063 tors. eta vs tors. theta energy: -60.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -676.292248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.292248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.292248 (E_RNA) where: Base-Base interactions energy: -386.671 where: short stacking energy: -210.536 Base-Backbone interact. energy: -0.699 local terms energy: -288.922348 where: bonds (distance) C4'-P energy: -66.657 bonds (distance) P-C4' energy: -74.870 flat angles C4'-P-C4' energy: -66.436 flat angles P-C4'-P energy: -40.473 tors. eta vs tors. theta energy: -40.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -502.608939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.608939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.608939 (E_RNA) where: Base-Base interactions energy: -274.052 where: short stacking energy: -145.479 Base-Backbone interact. energy: -0.342 local terms energy: -228.214990 where: bonds (distance) C4'-P energy: -58.294 bonds (distance) P-C4' energy: -68.561 flat angles C4'-P-C4' energy: -61.629 flat angles P-C4'-P energy: -30.586 tors. eta vs tors. theta energy: -9.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -322.824826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.824826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.824826 (E_RNA) where: Base-Base interactions energy: -101.849 where: short stacking energy: -86.332 Base-Backbone interact. energy: -2.856 local terms energy: -218.119963 where: bonds (distance) C4'-P energy: -64.450 bonds (distance) P-C4' energy: -78.424 flat angles C4'-P-C4' energy: -46.141 flat angles P-C4'-P energy: -38.970 tors. eta vs tors. theta energy: 9.866 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: 3 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -1397.916944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.916944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.916944 (E_RNA) where: Base-Base interactions energy: -970.164 where: short stacking energy: -400.709 Base-Backbone interact. energy: -1.163 local terms energy: -426.589823 where: bonds (distance) C4'-P energy: -78.396 bonds (distance) P-C4' energy: -88.638 flat angles C4'-P-C4' energy: -88.495 flat angles P-C4'-P energy: -61.023 tors. eta vs tors. theta energy: -110.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -1352.236405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.236405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.236405 (E_RNA) where: Base-Base interactions energy: -915.707 where: short stacking energy: -410.275 Base-Backbone interact. energy: -1.546 local terms energy: -434.982739 where: bonds (distance) C4'-P energy: -74.216 bonds (distance) P-C4' energy: -76.748 flat angles C4'-P-C4' energy: -93.994 flat angles P-C4'-P energy: -61.726 tors. eta vs tors. theta energy: -128.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -1265.733081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.733081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.733081 (E_RNA) where: Base-Base interactions energy: -861.248 where: short stacking energy: -351.184 Base-Backbone interact. energy: -1.056 local terms energy: -403.429129 where: bonds (distance) C4'-P energy: -86.276 bonds (distance) P-C4' energy: -85.806 flat angles C4'-P-C4' energy: -81.960 flat angles P-C4'-P energy: -45.162 tors. eta vs tors. theta energy: -104.225 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: 8 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -1181.466330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.466330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.466330 (E_RNA) where: Base-Base interactions energy: -785.682 where: short stacking energy: -358.238 Base-Backbone interact. energy: 4.084 local terms energy: -399.868454 where: bonds (distance) C4'-P energy: -74.272 bonds (distance) P-C4' energy: -77.774 flat angles C4'-P-C4' energy: -84.009 flat angles P-C4'-P energy: -60.530 tors. eta vs tors. theta energy: -103.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -1019.493242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.493242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.493242 (E_RNA) where: Base-Base interactions energy: -643.724 where: short stacking energy: -286.195 Base-Backbone interact. energy: -0.996 local terms energy: -374.773041 where: bonds (distance) C4'-P energy: -74.451 bonds (distance) P-C4' energy: -74.218 flat angles C4'-P-C4' energy: -83.453 flat angles P-C4'-P energy: -49.642 tors. eta vs tors. theta energy: -93.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -1013.335994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.335994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.335994 (E_RNA) where: Base-Base interactions energy: -658.608 where: short stacking energy: -284.045 Base-Backbone interact. energy: -2.592 local terms energy: -352.135739 where: bonds (distance) C4'-P energy: -61.046 bonds (distance) P-C4' energy: -72.466 flat angles C4'-P-C4' energy: -84.109 flat angles P-C4'-P energy: -52.395 tors. eta vs tors. theta energy: -82.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -869.596357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.596357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.596357 (E_RNA) where: Base-Base interactions energy: -538.898 where: short stacking energy: -233.113 Base-Backbone interact. energy: -1.557 local terms energy: -329.141480 where: bonds (distance) C4'-P energy: -80.400 bonds (distance) P-C4' energy: -62.681 flat angles C4'-P-C4' energy: -74.279 flat angles P-C4'-P energy: -50.506 tors. eta vs tors. theta energy: -61.275 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: 8, replica: 2 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -635.430035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.430035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.430035 (E_RNA) where: Base-Base interactions energy: -340.162 where: short stacking energy: -165.464 Base-Backbone interact. energy: -1.591 local terms energy: -293.677266 where: bonds (distance) C4'-P energy: -67.160 bonds (distance) P-C4' energy: -79.604 flat angles C4'-P-C4' energy: -67.936 flat angles P-C4'-P energy: -50.464 tors. eta vs tors. theta energy: -28.514 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: 4 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -413.211155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.211155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.211155 (E_RNA) where: Base-Base interactions energy: -191.754 where: short stacking energy: -97.229 Base-Backbone interact. energy: -1.758 local terms energy: -219.698516 where: bonds (distance) C4'-P energy: -67.004 bonds (distance) P-C4' energy: -79.899 flat angles C4'-P-C4' energy: -53.282 flat angles P-C4'-P energy: -32.333 tors. eta vs tors. theta energy: 12.821 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: 10 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -356.611237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.611237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.611237 (E_RNA) where: Base-Base interactions energy: -115.944 where: short stacking energy: -111.009 Base-Backbone interact. energy: -2.048 local terms energy: -238.618953 where: bonds (distance) C4'-P energy: -73.804 bonds (distance) P-C4' energy: -70.061 flat angles C4'-P-C4' energy: -54.388 flat angles P-C4'-P energy: -41.523 tors. eta vs tors. theta energy: 1.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -1371.543150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.543150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.543150 (E_RNA) where: Base-Base interactions energy: -948.562 where: short stacking energy: -391.567 Base-Backbone interact. energy: -1.671 local terms energy: -421.310695 where: bonds (distance) C4'-P energy: -66.230 bonds (distance) P-C4' energy: -82.256 flat angles C4'-P-C4' energy: -96.768 flat angles P-C4'-P energy: -62.638 tors. eta vs tors. theta energy: -113.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -1349.693352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.693352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.693352 (E_RNA) where: Base-Base interactions energy: -917.644 where: short stacking energy: -390.393 Base-Backbone interact. energy: -0.406 local terms energy: -431.643182 where: bonds (distance) C4'-P energy: -77.676 bonds (distance) P-C4' energy: -83.968 flat angles C4'-P-C4' energy: -84.188 flat angles P-C4'-P energy: -63.058 tors. eta vs tors. theta energy: -122.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -1282.107327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.107327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.107327 (E_RNA) where: Base-Base interactions energy: -873.317 where: short stacking energy: -370.169 Base-Backbone interact. energy: -1.275 local terms energy: -407.515107 where: bonds (distance) C4'-P energy: -70.266 bonds (distance) P-C4' energy: -78.100 flat angles C4'-P-C4' energy: -84.122 flat angles P-C4'-P energy: -58.656 tors. eta vs tors. theta energy: -116.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -1178.414997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.414997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.414997 (E_RNA) where: Base-Base interactions energy: -791.915 where: short stacking energy: -357.125 Base-Backbone interact. energy: 0.715 local terms energy: -387.215291 where: bonds (distance) C4'-P energy: -82.720 bonds (distance) P-C4' energy: -81.035 flat angles C4'-P-C4' energy: -75.952 flat angles P-C4'-P energy: -40.926 tors. eta vs tors. theta energy: -106.583 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: 5, replica: 1 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -1022.823042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.823042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.823042 (E_RNA) where: Base-Base interactions energy: -652.759 where: short stacking energy: -288.184 Base-Backbone interact. energy: -3.007 local terms energy: -367.056968 where: bonds (distance) C4'-P energy: -75.396 bonds (distance) P-C4' energy: -67.723 flat angles C4'-P-C4' energy: -74.155 flat angles P-C4'-P energy: -65.062 tors. eta vs tors. theta energy: -84.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -995.418149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.418149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.418149 (E_RNA) where: Base-Base interactions energy: -639.861 where: short stacking energy: -279.072 Base-Backbone interact. energy: -2.031 local terms energy: -353.526096 where: bonds (distance) C4'-P energy: -70.876 bonds (distance) P-C4' energy: -74.080 flat angles C4'-P-C4' energy: -80.244 flat angles P-C4'-P energy: -50.970 tors. eta vs tors. theta energy: -77.356 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: 5 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -857.485938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.485938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.485938 (E_RNA) where: Base-Base interactions energy: -528.491 where: short stacking energy: -226.550 Base-Backbone interact. energy: -1.373 local terms energy: -327.621803 where: bonds (distance) C4'-P energy: -61.209 bonds (distance) P-C4' energy: -76.604 flat angles C4'-P-C4' energy: -74.126 flat angles P-C4'-P energy: -53.682 tors. eta vs tors. theta energy: -62.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -648.344505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.344505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.344505 (E_RNA) where: Base-Base interactions energy: -363.603 where: short stacking energy: -182.042 Base-Backbone interact. energy: -2.284 local terms energy: -282.456785 where: bonds (distance) C4'-P energy: -80.112 bonds (distance) P-C4' energy: -76.085 flat angles C4'-P-C4' energy: -64.105 flat angles P-C4'-P energy: -37.307 tors. eta vs tors. theta energy: -24.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -380.314842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.314842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.314842 (E_RNA) where: Base-Base interactions energy: -145.943 where: short stacking energy: -104.475 Base-Backbone interact. energy: -0.265 local terms energy: -234.107386 where: bonds (distance) C4'-P energy: -61.759 bonds (distance) P-C4' energy: -74.993 flat angles C4'-P-C4' energy: -45.252 flat angles P-C4'-P energy: -43.675 tors. eta vs tors. theta energy: -8.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -355.576535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.576535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.576535 (E_RNA) where: Base-Base interactions energy: -124.395 where: short stacking energy: -109.613 Base-Backbone interact. energy: -1.240 local terms energy: -229.941925 where: bonds (distance) C4'-P energy: -69.821 bonds (distance) P-C4' energy: -54.776 flat angles C4'-P-C4' energy: -59.083 flat angles P-C4'-P energy: -42.810 tors. eta vs tors. theta energy: -3.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -1390.007945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.007945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.007945 (E_RNA) where: Base-Base interactions energy: -965.521 where: short stacking energy: -405.295 Base-Backbone interact. energy: -0.057 local terms energy: -424.430014 where: bonds (distance) C4'-P energy: -79.185 bonds (distance) P-C4' energy: -83.746 flat angles C4'-P-C4' energy: -93.255 flat angles P-C4'-P energy: -60.403 tors. eta vs tors. theta energy: -107.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -1347.625782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.625782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.625782 (E_RNA) where: Base-Base interactions energy: -919.500 where: short stacking energy: -372.260 Base-Backbone interact. energy: -1.379 local terms energy: -426.746741 where: bonds (distance) C4'-P energy: -79.847 bonds (distance) P-C4' energy: -75.532 flat angles C4'-P-C4' energy: -89.471 flat angles P-C4'-P energy: -63.341 tors. eta vs tors. theta energy: -118.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -1256.051618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.051618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.051618 (E_RNA) where: Base-Base interactions energy: -840.017 where: short stacking energy: -354.995 Base-Backbone interact. energy: -0.516 local terms energy: -415.518694 where: bonds (distance) C4'-P energy: -89.961 bonds (distance) P-C4' energy: -71.868 flat angles C4'-P-C4' energy: -93.691 flat angles P-C4'-P energy: -55.178 tors. eta vs tors. theta energy: -104.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -1175.582061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.582061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.582061 (E_RNA) where: Base-Base interactions energy: -785.233 where: short stacking energy: -349.551 Base-Backbone interact. energy: -1.387 local terms energy: -388.962476 where: bonds (distance) C4'-P energy: -83.424 bonds (distance) P-C4' energy: -70.292 flat angles C4'-P-C4' energy: -86.842 flat angles P-C4'-P energy: -51.755 tors. eta vs tors. theta energy: -96.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -1030.095427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.095427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.095427 (E_RNA) where: Base-Base interactions energy: -669.877 where: short stacking energy: -287.255 Base-Backbone interact. energy: -1.832 local terms energy: -358.385483 where: bonds (distance) C4'-P energy: -79.047 bonds (distance) P-C4' energy: -78.847 flat angles C4'-P-C4' energy: -79.685 flat angles P-C4'-P energy: -50.131 tors. eta vs tors. theta energy: -70.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -983.846713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.846713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.846713 (E_RNA) where: Base-Base interactions energy: -613.452 where: short stacking energy: -277.672 Base-Backbone interact. energy: 0.344 local terms energy: -370.739235 where: bonds (distance) C4'-P energy: -70.274 bonds (distance) P-C4' energy: -85.672 flat angles C4'-P-C4' energy: -81.381 flat angles P-C4'-P energy: -46.987 tors. eta vs tors. theta energy: -86.425 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: 7, replica: 5 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -863.155653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.155653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.155653 (E_RNA) where: Base-Base interactions energy: -551.469 where: short stacking energy: -243.537 Base-Backbone interact. energy: -1.192 local terms energy: -310.494842 where: bonds (distance) C4'-P energy: -65.977 bonds (distance) P-C4' energy: -74.496 flat angles C4'-P-C4' energy: -72.052 flat angles P-C4'-P energy: -41.378 tors. eta vs tors. theta energy: -56.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -713.024891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.024891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.024891 (E_RNA) where: Base-Base interactions energy: -417.496 where: short stacking energy: -228.722 Base-Backbone interact. energy: -1.099 local terms energy: -294.430083 where: bonds (distance) C4'-P energy: -52.586 bonds (distance) P-C4' energy: -71.283 flat angles C4'-P-C4' energy: -67.734 flat angles P-C4'-P energy: -43.253 tors. eta vs tors. theta energy: -59.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -375.689944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.689944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.689944 (E_RNA) where: Base-Base interactions energy: -148.306 where: short stacking energy: -128.387 Base-Backbone interact. energy: -2.072 local terms energy: -225.311411 where: bonds (distance) C4'-P energy: -58.849 bonds (distance) P-C4' energy: -60.666 flat angles C4'-P-C4' energy: -58.696 flat angles P-C4'-P energy: -44.734 tors. eta vs tors. theta energy: -2.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -342.312869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.312869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.312869 (E_RNA) where: Base-Base interactions energy: -104.039 where: short stacking energy: -96.763 Base-Backbone interact. energy: 3.506 local terms energy: -241.779616 where: bonds (distance) C4'-P energy: -73.387 bonds (distance) P-C4' energy: -71.656 flat angles C4'-P-C4' energy: -63.328 flat angles P-C4'-P energy: -26.767 tors. eta vs tors. theta energy: -6.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -1364.260606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.260606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.260606 (E_RNA) where: Base-Base interactions energy: -948.908 where: short stacking energy: -403.355 Base-Backbone interact. energy: -2.936 local terms energy: -412.417137 where: bonds (distance) C4'-P energy: -82.172 bonds (distance) P-C4' energy: -72.379 flat angles C4'-P-C4' energy: -89.055 flat angles P-C4'-P energy: -54.042 tors. eta vs tors. theta energy: -114.769 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: 7 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -1339.370837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.370837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.370837 (E_RNA) where: Base-Base interactions energy: -922.332 where: short stacking energy: -382.979 Base-Backbone interact. energy: 0.937 local terms energy: -417.974990 where: bonds (distance) C4'-P energy: -72.370 bonds (distance) P-C4' energy: -85.028 flat angles C4'-P-C4' energy: -91.427 flat angles P-C4'-P energy: -48.734 tors. eta vs tors. theta energy: -120.416 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: 3, replica: 9 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -1307.018846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.018846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.018846 (E_RNA) where: Base-Base interactions energy: -909.539 where: short stacking energy: -370.946 Base-Backbone interact. energy: -2.255 local terms energy: -395.225132 where: bonds (distance) C4'-P energy: -75.414 bonds (distance) P-C4' energy: -81.234 flat angles C4'-P-C4' energy: -89.400 flat angles P-C4'-P energy: -51.808 tors. eta vs tors. theta energy: -97.370 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: 8 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -1210.959153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.959153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.959153 (E_RNA) where: Base-Base interactions energy: -804.669 where: short stacking energy: -364.776 Base-Backbone interact. energy: 0.300 local terms energy: -406.590228 where: bonds (distance) C4'-P energy: -80.021 bonds (distance) P-C4' energy: -72.725 flat angles C4'-P-C4' energy: -86.733 flat angles P-C4'-P energy: -61.167 tors. eta vs tors. theta energy: -105.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -1044.618495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.618495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.618495 (E_RNA) where: Base-Base interactions energy: -696.491 where: short stacking energy: -323.170 Base-Backbone interact. energy: 3.003 local terms energy: -351.130046 where: bonds (distance) C4'-P energy: -73.659 bonds (distance) P-C4' energy: -79.300 flat angles C4'-P-C4' energy: -74.722 flat angles P-C4'-P energy: -43.284 tors. eta vs tors. theta energy: -80.164 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: 428 Temperature: 1.150000 Total energy: -995.167075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.167075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.167075 (E_RNA) where: Base-Base interactions energy: -643.275 where: short stacking energy: -298.384 Base-Backbone interact. energy: 2.605 local terms energy: -354.497685 where: bonds (distance) C4'-P energy: -58.140 bonds (distance) P-C4' energy: -91.775 flat angles C4'-P-C4' energy: -74.031 flat angles P-C4'-P energy: -58.524 tors. eta vs tors. theta energy: -72.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -860.937451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.937451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.937451 (E_RNA) where: Base-Base interactions energy: -551.424 where: short stacking energy: -250.604 Base-Backbone interact. energy: -0.619 local terms energy: -308.894038 where: bonds (distance) C4'-P energy: -76.442 bonds (distance) P-C4' energy: -71.337 flat angles C4'-P-C4' energy: -70.646 flat angles P-C4'-P energy: -39.640 tors. eta vs tors. theta energy: -50.830 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: 2 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -689.644790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.644790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.644790 (E_RNA) where: Base-Base interactions energy: -395.089 where: short stacking energy: -187.921 Base-Backbone interact. energy: -3.748 local terms energy: -290.807248 where: bonds (distance) C4'-P energy: -68.630 bonds (distance) P-C4' energy: -73.459 flat angles C4'-P-C4' energy: -67.568 flat angles P-C4'-P energy: -40.919 tors. eta vs tors. theta energy: -40.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -386.850068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.850068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.850068 (E_RNA) where: Base-Base interactions energy: -139.635 where: short stacking energy: -127.714 Base-Backbone interact. energy: 5.066 local terms energy: -252.280946 where: bonds (distance) C4'-P energy: -74.868 bonds (distance) P-C4' energy: -77.183 flat angles C4'-P-C4' energy: -56.282 flat angles P-C4'-P energy: -44.405 tors. eta vs tors. theta energy: 0.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -353.218520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.218520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.218520 (E_RNA) where: Base-Base interactions energy: -129.450 where: short stacking energy: -89.528 Base-Backbone interact. energy: 0.688 local terms energy: -224.456240 where: bonds (distance) C4'-P energy: -72.229 bonds (distance) P-C4' energy: -78.231 flat angles C4'-P-C4' energy: -62.768 flat angles P-C4'-P energy: -39.413 tors. eta vs tors. theta energy: 28.186 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: 429 Temperature: 0.900000 Total energy: -1403.670925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.670925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.670925 (E_RNA) where: Base-Base interactions energy: -974.847 where: short stacking energy: -401.959 Base-Backbone interact. energy: -1.751 local terms energy: -427.072867 where: bonds (distance) C4'-P energy: -80.362 bonds (distance) P-C4' energy: -81.201 flat angles C4'-P-C4' energy: -87.329 flat angles P-C4'-P energy: -64.450 tors. eta vs tors. theta energy: -113.730 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: 7 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -1343.017342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.017342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.017342 (E_RNA) where: Base-Base interactions energy: -921.513 where: short stacking energy: -396.673 Base-Backbone interact. energy: -1.562 local terms energy: -419.942193 where: bonds (distance) C4'-P energy: -68.089 bonds (distance) P-C4' energy: -81.969 flat angles C4'-P-C4' energy: -85.656 flat angles P-C4'-P energy: -59.666 tors. eta vs tors. theta energy: -124.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -1257.581096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.581096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.581096 (E_RNA) where: Base-Base interactions energy: -857.783 where: short stacking energy: -368.564 Base-Backbone interact. energy: 0.097 local terms energy: -399.895002 where: bonds (distance) C4'-P energy: -67.944 bonds (distance) P-C4' energy: -81.004 flat angles C4'-P-C4' energy: -82.830 flat angles P-C4'-P energy: -65.605 tors. eta vs tors. theta energy: -102.512 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: 8 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -1218.416618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.416618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.416618 (E_RNA) where: Base-Base interactions energy: -834.153 where: short stacking energy: -360.104 Base-Backbone interact. energy: 5.329 local terms energy: -389.592269 where: bonds (distance) C4'-P energy: -68.370 bonds (distance) P-C4' energy: -84.260 flat angles C4'-P-C4' energy: -83.059 flat angles P-C4'-P energy: -48.262 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: 5, replica: 6 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -1053.136892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.136892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.136892 (E_RNA) where: Base-Base interactions energy: -663.566 where: short stacking energy: -299.496 Base-Backbone interact. energy: -0.418 local terms energy: -389.152913 where: bonds (distance) C4'-P energy: -81.431 bonds (distance) P-C4' energy: -76.741 flat angles C4'-P-C4' energy: -88.696 flat angles P-C4'-P energy: -51.962 tors. eta vs tors. theta energy: -90.323 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: 6, replica: 1 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -1014.806651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.806651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.806651 (E_RNA) where: Base-Base interactions energy: -681.149 where: short stacking energy: -295.203 Base-Backbone interact. energy: 1.584 local terms energy: -335.242022 where: bonds (distance) C4'-P energy: -65.902 bonds (distance) P-C4' energy: -79.412 flat angles C4'-P-C4' energy: -62.582 flat angles P-C4'-P energy: -59.011 tors. eta vs tors. theta energy: -68.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -879.967627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.967627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.967627 (E_RNA) where: Base-Base interactions energy: -560.875 where: short stacking energy: -244.601 Base-Backbone interact. energy: 1.700 local terms energy: -320.792932 where: bonds (distance) C4'-P energy: -63.307 bonds (distance) P-C4' energy: -74.518 flat angles C4'-P-C4' energy: -61.172 flat angles P-C4'-P energy: -57.495 tors. eta vs tors. theta energy: -64.299 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: 2 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -656.806839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.806839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.806839 (E_RNA) where: Base-Base interactions energy: -356.934 where: short stacking energy: -201.469 Base-Backbone interact. energy: 4.796 local terms energy: -304.668359 where: bonds (distance) C4'-P energy: -67.454 bonds (distance) P-C4' energy: -82.118 flat angles C4'-P-C4' energy: -79.536 flat angles P-C4'-P energy: -40.124 tors. eta vs tors. theta energy: -35.436 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: 9, replica: 4 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -352.250221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.250221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.250221 (E_RNA) where: Base-Base interactions energy: -135.495 where: short stacking energy: -105.556 Base-Backbone interact. energy: -2.484 local terms energy: -214.270796 where: bonds (distance) C4'-P energy: -63.844 bonds (distance) P-C4' energy: -62.036 flat angles C4'-P-C4' energy: -54.549 flat angles P-C4'-P energy: -31.441 tors. eta vs tors. theta energy: -2.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -315.233005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.233005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.233005 (E_RNA) where: Base-Base interactions energy: -89.209 where: short stacking energy: -79.630 Base-Backbone interact. energy: 3.643 local terms energy: -229.666535 where: bonds (distance) C4'-P energy: -74.727 bonds (distance) P-C4' energy: -82.102 flat angles C4'-P-C4' energy: -49.887 flat angles P-C4'-P energy: -32.687 tors. eta vs tors. theta energy: 9.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -1399.827500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.827500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.827500 (E_RNA) where: Base-Base interactions energy: -980.756 where: short stacking energy: -410.565 Base-Backbone interact. energy: 1.296 local terms energy: -420.368313 where: bonds (distance) C4'-P energy: -81.835 bonds (distance) P-C4' energy: -77.454 flat angles C4'-P-C4' energy: -91.813 flat angles P-C4'-P energy: -54.238 tors. eta vs tors. theta energy: -115.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -1321.290964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.290964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.290964 (E_RNA) where: Base-Base interactions energy: -882.050 where: short stacking energy: -372.429 Base-Backbone interact. energy: -2.936 local terms energy: -436.305042 where: bonds (distance) C4'-P energy: -78.862 bonds (distance) P-C4' energy: -80.589 flat angles C4'-P-C4' energy: -91.003 flat angles P-C4'-P energy: -62.003 tors. eta vs tors. theta energy: -123.848 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: 9 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -1273.328678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.328678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.328678 (E_RNA) where: Base-Base interactions energy: -869.209 where: short stacking energy: -389.378 Base-Backbone interact. energy: 0.182 local terms energy: -404.301933 where: bonds (distance) C4'-P energy: -74.224 bonds (distance) P-C4' energy: -80.909 flat angles C4'-P-C4' energy: -79.971 flat angles P-C4'-P energy: -55.359 tors. eta vs tors. theta energy: -113.840 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: 8 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -1210.232701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.232701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.232701 (E_RNA) where: Base-Base interactions energy: -789.988 where: short stacking energy: -364.003 Base-Backbone interact. energy: 0.923 local terms energy: -421.167507 where: bonds (distance) C4'-P energy: -79.296 bonds (distance) P-C4' energy: -85.150 flat angles C4'-P-C4' energy: -79.733 flat angles P-C4'-P energy: -57.026 tors. eta vs tors. theta energy: -119.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -1098.192630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.192630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.192630 (E_RNA) where: Base-Base interactions energy: -749.786 where: short stacking energy: -341.628 Base-Backbone interact. energy: -0.866 local terms energy: -347.541059 where: bonds (distance) C4'-P energy: -59.940 bonds (distance) P-C4' energy: -64.349 flat angles C4'-P-C4' energy: -82.335 flat angles P-C4'-P energy: -43.970 tors. eta vs tors. theta energy: -96.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -1018.593476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.593476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.593476 (E_RNA) where: Base-Base interactions energy: -667.196 where: short stacking energy: -289.196 Base-Backbone interact. energy: -1.962 local terms energy: -349.436024 where: bonds (distance) C4'-P energy: -80.013 bonds (distance) P-C4' energy: -68.993 flat angles C4'-P-C4' energy: -69.678 flat angles P-C4'-P energy: -52.246 tors. eta vs tors. theta energy: -78.507 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: 7, replica: 5 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -843.497981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.497981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.497981 (E_RNA) where: Base-Base interactions energy: -527.865 where: short stacking energy: -258.259 Base-Backbone interact. energy: -0.793 local terms energy: -314.839964 where: bonds (distance) C4'-P energy: -57.538 bonds (distance) P-C4' energy: -67.153 flat angles C4'-P-C4' energy: -78.843 flat angles P-C4'-P energy: -44.893 tors. eta vs tors. theta energy: -66.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -562.736567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.736567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.736567 (E_RNA) where: Base-Base interactions energy: -287.360 where: short stacking energy: -153.319 Base-Backbone interact. energy: 0.785 local terms energy: -276.161163 where: bonds (distance) C4'-P energy: -52.607 bonds (distance) P-C4' energy: -90.936 flat angles C4'-P-C4' energy: -68.540 flat angles P-C4'-P energy: -45.115 tors. eta vs tors. theta energy: -18.963 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: 4 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -365.799457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.799457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.799457 (E_RNA) where: Base-Base interactions energy: -143.171 where: short stacking energy: -88.223 Base-Backbone interact. energy: -4.220 local terms energy: -218.408994 where: bonds (distance) C4'-P energy: -60.280 bonds (distance) P-C4' energy: -69.878 flat angles C4'-P-C4' energy: -64.481 flat angles P-C4'-P energy: -38.414 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: 10, replica: 10 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -311.688441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.688441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.688441 (E_RNA) where: Base-Base interactions energy: -97.426 where: short stacking energy: -66.760 Base-Backbone interact. energy: -2.115 local terms energy: -212.147429 where: bonds (distance) C4'-P energy: -68.534 bonds (distance) P-C4' energy: -71.414 flat angles C4'-P-C4' energy: -46.988 flat angles P-C4'-P energy: -39.531 tors. eta vs tors. theta energy: 14.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -1393.866773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.866773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.866773 (E_RNA) where: Base-Base interactions energy: -964.564 where: short stacking energy: -394.304 Base-Backbone interact. energy: -3.968 local terms energy: -425.334268 where: bonds (distance) C4'-P energy: -75.045 bonds (distance) P-C4' energy: -72.413 flat angles C4'-P-C4' energy: -94.503 flat angles P-C4'-P energy: -66.442 tors. eta vs tors. theta energy: -116.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -1323.874260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.874260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.874260 (E_RNA) where: Base-Base interactions energy: -897.364 where: short stacking energy: -384.083 Base-Backbone interact. energy: -0.451 local terms energy: -426.058650 where: bonds (distance) C4'-P energy: -80.083 bonds (distance) P-C4' energy: -74.016 flat angles C4'-P-C4' energy: -84.205 flat angles P-C4'-P energy: -63.137 tors. eta vs tors. theta energy: -124.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -1248.427100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.427100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.427100 (E_RNA) where: Base-Base interactions energy: -864.941 where: short stacking energy: -343.386 Base-Backbone interact. energy: 6.998 local terms energy: -390.483342 where: bonds (distance) C4'-P energy: -89.965 bonds (distance) P-C4' energy: -70.528 flat angles C4'-P-C4' energy: -72.178 flat angles P-C4'-P energy: -58.643 tors. eta vs tors. theta energy: -99.168 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: 8 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -1216.959040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.959040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.959040 (E_RNA) where: Base-Base interactions energy: -815.222 where: short stacking energy: -359.463 Base-Backbone interact. energy: 0.678 local terms energy: -402.414427 where: bonds (distance) C4'-P energy: -76.003 bonds (distance) P-C4' energy: -69.502 flat angles C4'-P-C4' energy: -93.033 flat angles P-C4'-P energy: -55.643 tors. eta vs tors. theta energy: -108.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -1044.130715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.130715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.130715 (E_RNA) where: Base-Base interactions energy: -674.467 where: short stacking energy: -313.142 Base-Backbone interact. energy: -2.893 local terms energy: -366.770128 where: bonds (distance) C4'-P energy: -86.413 bonds (distance) P-C4' energy: -68.765 flat angles C4'-P-C4' energy: -73.574 flat angles P-C4'-P energy: -55.929 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: 6, replica: 6 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -1080.381492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.381492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.381492 (E_RNA) where: Base-Base interactions energy: -713.038 where: short stacking energy: -322.976 Base-Backbone interact. energy: -2.046 local terms energy: -365.297391 where: bonds (distance) C4'-P energy: -72.272 bonds (distance) P-C4' energy: -77.491 flat angles C4'-P-C4' energy: -76.000 flat angles P-C4'-P energy: -56.803 tors. eta vs tors. theta energy: -82.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -886.735535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.735535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.735535 (E_RNA) where: Base-Base interactions energy: -554.537 where: short stacking energy: -249.848 Base-Backbone interact. energy: -0.437 local terms energy: -331.761657 where: bonds (distance) C4'-P energy: -83.086 bonds (distance) P-C4' energy: -74.678 flat angles C4'-P-C4' energy: -61.359 flat angles P-C4'-P energy: -53.684 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: 8, replica: 2 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -523.726536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.726536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.726536 (E_RNA) where: Base-Base interactions energy: -263.987 where: short stacking energy: -152.117 Base-Backbone interact. energy: 3.334 local terms energy: -263.073652 where: bonds (distance) C4'-P energy: -67.738 bonds (distance) P-C4' energy: -61.255 flat angles C4'-P-C4' energy: -79.587 flat angles P-C4'-P energy: -32.834 tors. eta vs tors. theta energy: -21.659 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: 4 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -373.392908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.392908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.392908 (E_RNA) where: Base-Base interactions energy: -134.144 where: short stacking energy: -102.392 Base-Backbone interact. energy: -1.726 local terms energy: -237.522891 where: bonds (distance) C4'-P energy: -72.261 bonds (distance) P-C4' energy: -77.072 flat angles C4'-P-C4' energy: -65.965 flat angles P-C4'-P energy: -35.431 tors. eta vs tors. theta energy: 13.206 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: 10, replica: 10 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -336.275912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.275912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.275912 (E_RNA) where: Base-Base interactions energy: -97.501 where: short stacking energy: -87.644 Base-Backbone interact. energy: -0.072 local terms energy: -238.703196 where: bonds (distance) C4'-P energy: -74.786 bonds (distance) P-C4' energy: -85.567 flat angles C4'-P-C4' energy: -65.413 flat angles P-C4'-P energy: -22.531 tors. eta vs tors. theta energy: 9.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -1426.155210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.155210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.155210 (E_RNA) where: Base-Base interactions energy: -975.383 where: short stacking energy: -411.047 Base-Backbone interact. energy: -2.363 local terms energy: -448.409294 where: bonds (distance) C4'-P energy: -84.466 bonds (distance) P-C4' energy: -89.594 flat angles C4'-P-C4' energy: -88.454 flat angles P-C4'-P energy: -64.058 tors. eta vs tors. theta energy: -121.837 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: 7 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -1330.162060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.162060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.162060 (E_RNA) where: Base-Base interactions energy: -918.229 where: short stacking energy: -402.389 Base-Backbone interact. energy: -1.704 local terms energy: -410.228243 where: bonds (distance) C4'-P energy: -74.992 bonds (distance) P-C4' energy: -75.746 flat angles C4'-P-C4' energy: -86.325 flat angles P-C4'-P energy: -52.713 tors. eta vs tors. theta energy: -120.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -1263.134693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.134693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.134693 (E_RNA) where: Base-Base interactions energy: -854.313 where: short stacking energy: -387.641 Base-Backbone interact. energy: -0.323 local terms energy: -408.499073 where: bonds (distance) C4'-P energy: -78.677 bonds (distance) P-C4' energy: -70.582 flat angles C4'-P-C4' energy: -86.744 flat angles P-C4'-P energy: -52.964 tors. eta vs tors. theta energy: -119.532 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: 4, replica: 8 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -1224.843218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.843218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.843218 (E_RNA) where: Base-Base interactions energy: -826.513 where: short stacking energy: -365.839 Base-Backbone interact. energy: -0.241 local terms energy: -398.089578 where: bonds (distance) C4'-P energy: -77.017 bonds (distance) P-C4' energy: -75.370 flat angles C4'-P-C4' energy: -90.629 flat angles P-C4'-P energy: -51.740 tors. eta vs tors. theta energy: -103.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -1068.677773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.677773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.677773 (E_RNA) where: Base-Base interactions energy: -723.153 where: short stacking energy: -314.198 Base-Backbone interact. energy: -2.387 local terms energy: -343.137886 where: bonds (distance) C4'-P energy: -55.217 bonds (distance) P-C4' energy: -74.347 flat angles C4'-P-C4' energy: -76.059 flat angles P-C4'-P energy: -58.353 tors. eta vs tors. theta energy: -79.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -1039.817186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.817186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.817186 (E_RNA) where: Base-Base interactions energy: -717.452 where: short stacking energy: -296.723 Base-Backbone interact. energy: 1.553 local terms energy: -323.918599 where: bonds (distance) C4'-P energy: -75.577 bonds (distance) P-C4' energy: -59.636 flat angles C4'-P-C4' energy: -73.886 flat angles P-C4'-P energy: -38.306 tors. eta vs tors. theta energy: -76.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -873.125475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.125475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.125475 (E_RNA) where: Base-Base interactions energy: -560.646 where: short stacking energy: -245.493 Base-Backbone interact. energy: -1.525 local terms energy: -310.954713 where: bonds (distance) C4'-P energy: -66.413 bonds (distance) P-C4' energy: -59.642 flat angles C4'-P-C4' energy: -79.803 flat angles P-C4'-P energy: -51.226 tors. eta vs tors. theta energy: -53.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -576.083565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.083565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.083565 (E_RNA) where: Base-Base interactions energy: -287.915 where: short stacking energy: -156.738 Base-Backbone interact. energy: 0.171 local terms energy: -288.340231 where: bonds (distance) C4'-P energy: -66.671 bonds (distance) P-C4' energy: -75.378 flat angles C4'-P-C4' energy: -72.142 flat angles P-C4'-P energy: -39.294 tors. eta vs tors. theta energy: -34.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -345.549499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.549499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.549499 (E_RNA) where: Base-Base interactions energy: -138.253 where: short stacking energy: -115.125 Base-Backbone interact. energy: 1.485 local terms energy: -208.781678 where: bonds (distance) C4'-P energy: -66.915 bonds (distance) P-C4' energy: -65.622 flat angles C4'-P-C4' energy: -55.772 flat angles P-C4'-P energy: -21.186 tors. eta vs tors. theta energy: 0.713 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: 4 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -350.280731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.280731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.280731 (E_RNA) where: Base-Base interactions energy: -139.438 where: short stacking energy: -103.006 Base-Backbone interact. energy: -0.241 local terms energy: -210.601659 where: bonds (distance) C4'-P energy: -61.222 bonds (distance) P-C4' energy: -71.135 flat angles C4'-P-C4' energy: -59.102 flat angles P-C4'-P energy: -31.670 tors. eta vs tors. theta energy: 12.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -1395.719050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.719050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.719050 (E_RNA) where: Base-Base interactions energy: -973.648 where: short stacking energy: -405.660 Base-Backbone interact. energy: -2.761 local terms energy: -419.309824 where: bonds (distance) C4'-P energy: -81.198 bonds (distance) P-C4' energy: -78.933 flat angles C4'-P-C4' energy: -88.833 flat angles P-C4'-P energy: -57.575 tors. eta vs tors. theta energy: -112.772 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: 7 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -1339.534203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.534203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.534203 (E_RNA) where: Base-Base interactions energy: -903.439 where: short stacking energy: -393.936 Base-Backbone interact. energy: 0.177 local terms energy: -436.272185 where: bonds (distance) C4'-P energy: -83.421 bonds (distance) P-C4' energy: -84.101 flat angles C4'-P-C4' energy: -83.796 flat angles P-C4'-P energy: -58.442 tors. eta vs tors. theta energy: -126.512 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: 9 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -1294.706925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.706925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.706925 (E_RNA) where: Base-Base interactions energy: -880.622 where: short stacking energy: -358.007 Base-Backbone interact. energy: -2.292 local terms energy: -411.792899 where: bonds (distance) C4'-P energy: -75.852 bonds (distance) P-C4' energy: -85.796 flat angles C4'-P-C4' energy: -87.250 flat angles P-C4'-P energy: -53.232 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: 8 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -1203.551548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.551548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.551548 (E_RNA) where: Base-Base interactions energy: -816.826 where: short stacking energy: -347.878 Base-Backbone interact. energy: -0.970 local terms energy: -385.755514 where: bonds (distance) C4'-P energy: -65.053 bonds (distance) P-C4' energy: -72.060 flat angles C4'-P-C4' energy: -84.263 flat angles P-C4'-P energy: -55.478 tors. eta vs tors. theta energy: -108.901 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: 1 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -1112.275748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.275748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.275748 (E_RNA) where: Base-Base interactions energy: -736.235 where: short stacking energy: -315.912 Base-Backbone interact. energy: -2.207 local terms energy: -373.833934 where: bonds (distance) C4'-P energy: -81.759 bonds (distance) P-C4' energy: -77.156 flat angles C4'-P-C4' energy: -82.150 flat angles P-C4'-P energy: -44.525 tors. eta vs tors. theta energy: -88.244 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: 6, replica: 6 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -1064.781473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.781473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.781473 (E_RNA) where: Base-Base interactions energy: -711.140 where: short stacking energy: -318.933 Base-Backbone interact. energy: -1.821 local terms energy: -351.820342 where: bonds (distance) C4'-P energy: -78.759 bonds (distance) P-C4' energy: -78.461 flat angles C4'-P-C4' energy: -71.531 flat angles P-C4'-P energy: -35.880 tors. eta vs tors. theta energy: -87.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -853.539964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.539964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.539964 (E_RNA) where: Base-Base interactions energy: -555.829 where: short stacking energy: -234.046 Base-Backbone interact. energy: -0.752 local terms energy: -296.959196 where: bonds (distance) C4'-P energy: -66.324 bonds (distance) P-C4' energy: -58.678 flat angles C4'-P-C4' energy: -70.333 flat angles P-C4'-P energy: -47.193 tors. eta vs tors. theta energy: -54.431 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: 8, replica: 2 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -570.818707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.818707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.818707 (E_RNA) where: Base-Base interactions energy: -292.026 where: short stacking energy: -153.084 Base-Backbone interact. energy: -1.328 local terms energy: -277.464700 where: bonds (distance) C4'-P energy: -77.766 bonds (distance) P-C4' energy: -68.075 flat angles C4'-P-C4' energy: -63.719 flat angles P-C4'-P energy: -52.771 tors. eta vs tors. theta energy: -15.134 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: 433 Temperature: 1.300000 Total energy: -346.847024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.847024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.847024 (E_RNA) where: Base-Base interactions energy: -116.547 where: short stacking energy: -105.223 Base-Backbone interact. energy: 3.691 local terms energy: -233.991134 where: bonds (distance) C4'-P energy: -68.353 bonds (distance) P-C4' energy: -69.893 flat angles C4'-P-C4' energy: -58.926 flat angles P-C4'-P energy: -49.029 tors. eta vs tors. theta energy: 12.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -342.923941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.923941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.923941 (E_RNA) where: Base-Base interactions energy: -147.457 where: short stacking energy: -86.921 Base-Backbone interact. energy: 0.935 local terms energy: -196.401622 where: bonds (distance) C4'-P energy: -58.807 bonds (distance) P-C4' energy: -80.274 flat angles C4'-P-C4' energy: -53.695 flat angles P-C4'-P energy: -22.458 tors. eta vs tors. theta energy: 18.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -1402.412300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.412300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.412300 (E_RNA) where: Base-Base interactions energy: -988.295 where: short stacking energy: -403.515 Base-Backbone interact. energy: -3.119 local terms energy: -410.997848 where: bonds (distance) C4'-P energy: -79.686 bonds (distance) P-C4' energy: -66.582 flat angles C4'-P-C4' energy: -88.281 flat angles P-C4'-P energy: -65.935 tors. eta vs tors. theta energy: -110.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -1346.865481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.865481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.865481 (E_RNA) where: Base-Base interactions energy: -909.443 where: short stacking energy: -388.841 Base-Backbone interact. energy: 0.220 local terms energy: -437.642562 where: bonds (distance) C4'-P energy: -83.977 bonds (distance) P-C4' energy: -86.118 flat angles C4'-P-C4' energy: -87.475 flat angles P-C4'-P energy: -58.629 tors. eta vs tors. theta energy: -121.444 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: 3, replica: 9 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -1308.042852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.042852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.042852 (E_RNA) where: Base-Base interactions energy: -896.996 where: short stacking energy: -388.656 Base-Backbone interact. energy: -1.653 local terms energy: -409.394136 where: bonds (distance) C4'-P energy: -71.135 bonds (distance) P-C4' energy: -67.615 flat angles C4'-P-C4' energy: -88.557 flat angles P-C4'-P energy: -60.272 tors. eta vs tors. theta energy: -121.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -1194.981187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.981187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.981187 (E_RNA) where: Base-Base interactions energy: -832.244 where: short stacking energy: -350.821 Base-Backbone interact. energy: 3.810 local terms energy: -366.547277 where: bonds (distance) C4'-P energy: -77.251 bonds (distance) P-C4' energy: -56.372 flat angles C4'-P-C4' energy: -85.525 flat angles P-C4'-P energy: -46.319 tors. eta vs tors. theta energy: -101.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -1101.538482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.538482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.538482 (E_RNA) where: Base-Base interactions energy: -719.421 where: short stacking energy: -297.528 Base-Backbone interact. energy: -0.783 local terms energy: -381.334708 where: bonds (distance) C4'-P energy: -76.350 bonds (distance) P-C4' energy: -73.163 flat angles C4'-P-C4' energy: -85.285 flat angles P-C4'-P energy: -51.614 tors. eta vs tors. theta energy: -94.923 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: 6 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -1015.659047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.659047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.659047 (E_RNA) where: Base-Base interactions energy: -662.715 where: short stacking energy: -287.843 Base-Backbone interact. energy: 6.453 local terms energy: -359.397185 where: bonds (distance) C4'-P energy: -61.060 bonds (distance) P-C4' energy: -70.678 flat angles C4'-P-C4' energy: -93.174 flat angles P-C4'-P energy: -57.857 tors. eta vs tors. theta energy: -76.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -827.729329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.729329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.729329 (E_RNA) where: Base-Base interactions energy: -525.569 where: short stacking energy: -221.928 Base-Backbone interact. energy: -2.127 local terms energy: -300.034105 where: bonds (distance) C4'-P energy: -73.979 bonds (distance) P-C4' energy: -78.267 flat angles C4'-P-C4' energy: -68.722 flat angles P-C4'-P energy: -41.504 tors. eta vs tors. theta energy: -37.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -583.311535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.311535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.311535 (E_RNA) where: Base-Base interactions energy: -309.060 where: short stacking energy: -170.176 Base-Backbone interact. energy: -0.695 local terms energy: -273.556887 where: bonds (distance) C4'-P energy: -55.233 bonds (distance) P-C4' energy: -82.284 flat angles C4'-P-C4' energy: -71.051 flat angles P-C4'-P energy: -42.717 tors. eta vs tors. theta energy: -22.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -356.286111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.286111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.286111 (E_RNA) where: Base-Base interactions energy: -128.283 where: short stacking energy: -105.368 Base-Backbone interact. energy: 2.047 local terms energy: -230.049543 where: bonds (distance) C4'-P energy: -52.742 bonds (distance) P-C4' energy: -66.819 flat angles C4'-P-C4' energy: -77.928 flat angles P-C4'-P energy: -26.363 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: 10, replica: 10 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -352.169213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.169213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.169213 (E_RNA) where: Base-Base interactions energy: -130.439 where: short stacking energy: -115.846 Base-Backbone interact. energy: -0.417 local terms energy: -221.313589 where: bonds (distance) C4'-P energy: -58.719 bonds (distance) P-C4' energy: -73.033 flat angles C4'-P-C4' energy: -60.540 flat angles P-C4'-P energy: -37.835 tors. eta vs tors. theta energy: 8.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -1389.487993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.487993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.487993 (E_RNA) where: Base-Base interactions energy: -949.310 where: short stacking energy: -409.118 Base-Backbone interact. energy: -2.206 local terms energy: -437.972431 where: bonds (distance) C4'-P energy: -81.281 bonds (distance) P-C4' energy: -88.840 flat angles C4'-P-C4' energy: -85.329 flat angles P-C4'-P energy: -64.269 tors. eta vs tors. theta energy: -118.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -1348.043226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.043226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.043226 (E_RNA) where: Base-Base interactions energy: -936.047 where: short stacking energy: -420.749 Base-Backbone interact. energy: -1.381 local terms energy: -410.615677 where: bonds (distance) C4'-P energy: -75.750 bonds (distance) P-C4' energy: -71.407 flat angles C4'-P-C4' energy: -90.445 flat angles P-C4'-P energy: -48.888 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: 3, replica: 9 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -1283.036315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.036315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.036315 (E_RNA) where: Base-Base interactions energy: -898.898 where: short stacking energy: -370.763 Base-Backbone interact. energy: -0.422 local terms energy: -383.715754 where: bonds (distance) C4'-P energy: -79.761 bonds (distance) P-C4' energy: -67.383 flat angles C4'-P-C4' energy: -76.669 flat angles P-C4'-P energy: -56.663 tors. eta vs tors. theta energy: -103.239 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: 8 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -1196.104608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.104608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.104608 (E_RNA) where: Base-Base interactions energy: -810.609 where: short stacking energy: -353.402 Base-Backbone interact. energy: 0.485 local terms energy: -385.980403 where: bonds (distance) C4'-P energy: -75.115 bonds (distance) P-C4' energy: -75.559 flat angles C4'-P-C4' energy: -75.696 flat angles P-C4'-P energy: -60.152 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: 5, replica: 1 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -1130.806428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.806428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.806428 (E_RNA) where: Base-Base interactions energy: -750.929 where: short stacking energy: -331.036 Base-Backbone interact. energy: -2.745 local terms energy: -377.132646 where: bonds (distance) C4'-P energy: -82.176 bonds (distance) P-C4' energy: -72.389 flat angles C4'-P-C4' energy: -79.096 flat angles P-C4'-P energy: -49.684 tors. eta vs tors. theta energy: -93.788 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: 6 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -1029.591063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.591063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.591063 (E_RNA) where: Base-Base interactions energy: -653.502 where: short stacking energy: -283.044 Base-Backbone interact. energy: 2.673 local terms energy: -378.762656 where: bonds (distance) C4'-P energy: -78.185 bonds (distance) P-C4' energy: -79.873 flat angles C4'-P-C4' energy: -79.434 flat angles P-C4'-P energy: -65.262 tors. eta vs tors. theta energy: -76.010 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: 5 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -851.669386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.669386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.669386 (E_RNA) where: Base-Base interactions energy: -542.259 where: short stacking energy: -233.023 Base-Backbone interact. energy: 2.689 local terms energy: -312.099759 where: bonds (distance) C4'-P energy: -61.817 bonds (distance) P-C4' energy: -74.659 flat angles C4'-P-C4' energy: -76.283 flat angles P-C4'-P energy: -48.154 tors. eta vs tors. theta energy: -51.186 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: 2 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -615.209430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.209430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.209430 (E_RNA) where: Base-Base interactions energy: -334.585 where: short stacking energy: -187.985 Base-Backbone interact. energy: -0.794 local terms energy: -279.830920 where: bonds (distance) C4'-P energy: -72.285 bonds (distance) P-C4' energy: -77.580 flat angles C4'-P-C4' energy: -64.476 flat angles P-C4'-P energy: -37.644 tors. eta vs tors. theta energy: -27.846 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: 4 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -401.139884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.139884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.139884 (E_RNA) where: Base-Base interactions energy: -161.218 where: short stacking energy: -100.284 Base-Backbone interact. energy: -0.944 local terms energy: -238.978146 where: bonds (distance) C4'-P energy: -76.214 bonds (distance) P-C4' energy: -55.457 flat angles C4'-P-C4' energy: -65.561 flat angles P-C4'-P energy: -40.074 tors. eta vs tors. theta energy: -1.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -374.717349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.717349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.717349 (E_RNA) where: Base-Base interactions energy: -159.151 where: short stacking energy: -108.595 Base-Backbone interact. energy: 1.621 local terms energy: -217.187506 where: bonds (distance) C4'-P energy: -53.602 bonds (distance) P-C4' energy: -61.164 flat angles C4'-P-C4' energy: -60.627 flat angles P-C4'-P energy: -38.604 tors. eta vs tors. theta energy: -3.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -1414.384200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.384200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.384200 (E_RNA) where: Base-Base interactions energy: -979.522 where: short stacking energy: -390.232 Base-Backbone interact. energy: -2.701 local terms energy: -432.160481 where: bonds (distance) C4'-P energy: -78.179 bonds (distance) P-C4' energy: -86.677 flat angles C4'-P-C4' energy: -93.436 flat angles P-C4'-P energy: -61.136 tors. eta vs tors. theta energy: -112.733 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: 7 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -1354.026227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.026227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.026227 (E_RNA) where: Base-Base interactions energy: -910.097 where: short stacking energy: -410.477 Base-Backbone interact. energy: -0.276 local terms energy: -443.653699 where: bonds (distance) C4'-P energy: -80.493 bonds (distance) P-C4' energy: -82.078 flat angles C4'-P-C4' energy: -95.946 flat angles P-C4'-P energy: -52.967 tors. eta vs tors. theta energy: -132.171 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: 9 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -1276.665780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.665780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.665780 (E_RNA) where: Base-Base interactions energy: -875.039 where: short stacking energy: -356.236 Base-Backbone interact. energy: 0.647 local terms energy: -402.274336 where: bonds (distance) C4'-P energy: -72.012 bonds (distance) P-C4' energy: -77.856 flat angles C4'-P-C4' energy: -90.578 flat angles P-C4'-P energy: -48.965 tors. eta vs tors. theta energy: -112.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -1194.461761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.461761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.461761 (E_RNA) where: Base-Base interactions energy: -776.046 where: short stacking energy: -349.636 Base-Backbone interact. energy: 0.970 local terms energy: -419.385947 where: bonds (distance) C4'-P energy: -87.533 bonds (distance) P-C4' energy: -73.405 flat angles C4'-P-C4' energy: -84.774 flat angles P-C4'-P energy: -65.268 tors. eta vs tors. theta energy: -108.405 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: 1 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -1089.593178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.593178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.593178 (E_RNA) where: Base-Base interactions energy: -737.771 where: short stacking energy: -323.924 Base-Backbone interact. energy: 2.893 local terms energy: -354.714326 where: bonds (distance) C4'-P energy: -79.292 bonds (distance) P-C4' energy: -68.256 flat angles C4'-P-C4' energy: -86.579 flat angles P-C4'-P energy: -32.213 tors. eta vs tors. theta energy: -88.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -1025.652797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.652797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.652797 (E_RNA) where: Base-Base interactions energy: -684.599 where: short stacking energy: -296.027 Base-Backbone interact. energy: 4.777 local terms energy: -345.830319 where: bonds (distance) C4'-P energy: -60.138 bonds (distance) P-C4' energy: -74.953 flat angles C4'-P-C4' energy: -76.732 flat angles P-C4'-P energy: -52.699 tors. eta vs tors. theta energy: -81.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -814.347586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.347586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.347586 (E_RNA) where: Base-Base interactions energy: -515.196 where: short stacking energy: -232.256 Base-Backbone interact. energy: -0.419 local terms energy: -298.731881 where: bonds (distance) C4'-P energy: -59.778 bonds (distance) P-C4' energy: -80.418 flat angles C4'-P-C4' energy: -61.167 flat angles P-C4'-P energy: -41.377 tors. eta vs tors. theta energy: -55.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -617.210173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.210173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.210173 (E_RNA) where: Base-Base interactions energy: -345.227 where: short stacking energy: -198.663 Base-Backbone interact. energy: -0.803 local terms energy: -271.180141 where: bonds (distance) C4'-P energy: -67.258 bonds (distance) P-C4' energy: -65.231 flat angles C4'-P-C4' energy: -67.530 flat angles P-C4'-P energy: -38.595 tors. eta vs tors. theta energy: -32.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -416.962453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.962453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.962453 (E_RNA) where: Base-Base interactions energy: -178.489 where: short stacking energy: -96.871 Base-Backbone interact. energy: 0.606 local terms energy: -239.079327 where: bonds (distance) C4'-P energy: -78.432 bonds (distance) P-C4' energy: -71.909 flat angles C4'-P-C4' energy: -67.397 flat angles P-C4'-P energy: -19.757 tors. eta vs tors. theta energy: -1.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -386.318754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.318754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.318754 (E_RNA) where: Base-Base interactions energy: -157.621 where: short stacking energy: -99.437 Base-Backbone interact. energy: -0.000 local terms energy: -228.697347 where: bonds (distance) C4'-P energy: -71.182 bonds (distance) P-C4' energy: -66.465 flat angles C4'-P-C4' energy: -60.743 flat angles P-C4'-P energy: -47.460 tors. eta vs tors. theta energy: 17.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -1413.238001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.238001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.238001 (E_RNA) where: Base-Base interactions energy: -992.244 where: short stacking energy: -403.596 Base-Backbone interact. energy: 1.838 local terms energy: -422.832758 where: bonds (distance) C4'-P energy: -85.374 bonds (distance) P-C4' energy: -76.243 flat angles C4'-P-C4' energy: -81.012 flat angles P-C4'-P energy: -65.866 tors. eta vs tors. theta energy: -114.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -1353.425555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.425555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.425555 (E_RNA) where: Base-Base interactions energy: -898.455 where: short stacking energy: -402.556 Base-Backbone interact. energy: -0.875 local terms energy: -454.096276 where: bonds (distance) C4'-P energy: -82.661 bonds (distance) P-C4' energy: -87.649 flat angles C4'-P-C4' energy: -91.676 flat angles P-C4'-P energy: -68.187 tors. eta vs tors. theta energy: -123.923 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: 3, replica: 9 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -1284.535149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.535149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.535149 (E_RNA) where: Base-Base interactions energy: -859.735 where: short stacking energy: -379.987 Base-Backbone interact. energy: 3.167 local terms energy: -427.967051 where: bonds (distance) C4'-P energy: -74.458 bonds (distance) P-C4' energy: -76.478 flat angles C4'-P-C4' energy: -90.013 flat angles P-C4'-P energy: -68.926 tors. eta vs tors. theta energy: -118.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -1192.463705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.463705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.463705 (E_RNA) where: Base-Base interactions energy: -784.257 where: short stacking energy: -336.495 Base-Backbone interact. energy: 1.992 local terms energy: -410.199097 where: bonds (distance) C4'-P energy: -83.240 bonds (distance) P-C4' energy: -79.529 flat angles C4'-P-C4' energy: -89.138 flat angles P-C4'-P energy: -59.673 tors. eta vs tors. theta energy: -98.618 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: 5, replica: 1 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -1097.288717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.288717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.288717 (E_RNA) where: Base-Base interactions energy: -744.694 where: short stacking energy: -321.696 Base-Backbone interact. energy: -2.242 local terms energy: -350.353018 where: bonds (distance) C4'-P energy: -81.117 bonds (distance) P-C4' energy: -65.730 flat angles C4'-P-C4' energy: -70.784 flat angles P-C4'-P energy: -54.665 tors. eta vs tors. theta energy: -78.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -998.272114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.272114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.272114 (E_RNA) where: Base-Base interactions energy: -651.585 where: short stacking energy: -275.508 Base-Backbone interact. energy: -1.292 local terms energy: -345.395266 where: bonds (distance) C4'-P energy: -69.535 bonds (distance) P-C4' energy: -80.309 flat angles C4'-P-C4' energy: -77.935 flat angles P-C4'-P energy: -42.500 tors. eta vs tors. theta energy: -75.116 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: 5 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -865.796317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.796317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.796317 (E_RNA) where: Base-Base interactions energy: -529.626 where: short stacking energy: -250.836 Base-Backbone interact. energy: -1.363 local terms energy: -334.807835 where: bonds (distance) C4'-P energy: -83.792 bonds (distance) P-C4' energy: -80.739 flat angles C4'-P-C4' energy: -69.671 flat angles P-C4'-P energy: -40.705 tors. eta vs tors. theta energy: -59.900 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: 2 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -578.093122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.093122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.093122 (E_RNA) where: Base-Base interactions energy: -320.905 where: short stacking energy: -171.764 Base-Backbone interact. energy: -0.591 local terms energy: -256.597379 where: bonds (distance) C4'-P energy: -65.439 bonds (distance) P-C4' energy: -72.336 flat angles C4'-P-C4' energy: -63.510 flat angles P-C4'-P energy: -37.811 tors. eta vs tors. theta energy: -17.502 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: 4 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -455.214325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.214325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.214325 (E_RNA) where: Base-Base interactions energy: -215.216 where: short stacking energy: -133.194 Base-Backbone interact. energy: -3.635 local terms energy: -236.364101 where: bonds (distance) C4'-P energy: -69.591 bonds (distance) P-C4' energy: -68.309 flat angles C4'-P-C4' energy: -54.524 flat angles P-C4'-P energy: -45.585 tors. eta vs tors. theta energy: 1.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -316.531281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.531281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.531281 (E_RNA) where: Base-Base interactions energy: -109.260 where: short stacking energy: -96.398 Base-Backbone interact. energy: -0.243 local terms energy: -207.028235 where: bonds (distance) C4'-P energy: -69.004 bonds (distance) P-C4' energy: -78.641 flat angles C4'-P-C4' energy: -47.462 flat angles P-C4'-P energy: -28.635 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: 1, replica: 7 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -1375.389443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.389443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.389443 (E_RNA) where: Base-Base interactions energy: -928.038 where: short stacking energy: -417.100 Base-Backbone interact. energy: 0.149 local terms energy: -447.501009 where: bonds (distance) C4'-P energy: -82.683 bonds (distance) P-C4' energy: -89.643 flat angles C4'-P-C4' energy: -92.894 flat angles P-C4'-P energy: -56.915 tors. eta vs tors. theta energy: -125.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -1374.939009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.939009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.939009 (E_RNA) where: Base-Base interactions energy: -950.408 where: short stacking energy: -388.828 Base-Backbone interact. energy: -3.455 local terms energy: -421.076393 where: bonds (distance) C4'-P energy: -85.227 bonds (distance) P-C4' energy: -83.660 flat angles C4'-P-C4' energy: -90.000 flat angles P-C4'-P energy: -49.881 tors. eta vs tors. theta energy: -112.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -1316.705879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.705879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.705879 (E_RNA) where: Base-Base interactions energy: -881.896 where: short stacking energy: -379.870 Base-Backbone interact. energy: -1.056 local terms energy: -433.753854 where: bonds (distance) C4'-P energy: -83.158 bonds (distance) P-C4' energy: -89.855 flat angles C4'-P-C4' energy: -81.683 flat angles P-C4'-P energy: -60.628 tors. eta vs tors. theta energy: -118.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -1196.174156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.174156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.174156 (E_RNA) where: Base-Base interactions energy: -797.811 where: short stacking energy: -350.259 Base-Backbone interact. energy: 1.020 local terms energy: -399.383304 where: bonds (distance) C4'-P energy: -76.704 bonds (distance) P-C4' energy: -80.376 flat angles C4'-P-C4' energy: -84.771 flat angles P-C4'-P energy: -54.875 tors. eta vs tors. theta energy: -102.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -1068.663152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.663152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.663152 (E_RNA) where: Base-Base interactions energy: -708.356 where: short stacking energy: -300.615 Base-Backbone interact. energy: -1.704 local terms energy: -358.603160 where: bonds (distance) C4'-P energy: -73.868 bonds (distance) P-C4' energy: -70.090 flat angles C4'-P-C4' energy: -72.103 flat angles P-C4'-P energy: -53.286 tors. eta vs tors. theta energy: -89.256 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: 6 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -994.920053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.920053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.920053 (E_RNA) where: Base-Base interactions energy: -666.175 where: short stacking energy: -296.474 Base-Backbone interact. energy: -0.996 local terms energy: -327.749187 where: bonds (distance) C4'-P energy: -53.316 bonds (distance) P-C4' energy: -88.525 flat angles C4'-P-C4' energy: -68.936 flat angles P-C4'-P energy: -44.723 tors. eta vs tors. theta energy: -72.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -851.940097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.940097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.940097 (E_RNA) where: Base-Base interactions energy: -525.216 where: short stacking energy: -252.740 Base-Backbone interact. energy: -1.589 local terms energy: -325.134306 where: bonds (distance) C4'-P energy: -76.802 bonds (distance) P-C4' energy: -75.637 flat angles C4'-P-C4' energy: -70.371 flat angles P-C4'-P energy: -39.881 tors. eta vs tors. theta energy: -62.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -622.308096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.308096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.308096 (E_RNA) where: Base-Base interactions energy: -333.189 where: short stacking energy: -195.625 Base-Backbone interact. energy: 0.668 local terms energy: -289.786184 where: bonds (distance) C4'-P energy: -73.475 bonds (distance) P-C4' energy: -83.458 flat angles C4'-P-C4' energy: -60.937 flat angles P-C4'-P energy: -41.022 tors. eta vs tors. theta energy: -30.895 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: 4 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -432.421799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.421799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.421799 (E_RNA) where: Base-Base interactions energy: -191.527 where: short stacking energy: -116.396 Base-Backbone interact. energy: -1.825 local terms energy: -239.069383 where: bonds (distance) C4'-P energy: -61.962 bonds (distance) P-C4' energy: -78.787 flat angles C4'-P-C4' energy: -60.787 flat angles P-C4'-P energy: -35.475 tors. eta vs tors. theta energy: -2.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -328.333735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.333735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.333735 (E_RNA) where: Base-Base interactions energy: -113.991 where: short stacking energy: -85.300 Base-Backbone interact. energy: 2.560 local terms energy: -216.903072 where: bonds (distance) C4'-P energy: -71.695 bonds (distance) P-C4' energy: -61.691 flat angles C4'-P-C4' energy: -73.984 flat angles P-C4'-P energy: -35.767 tors. eta vs tors. theta energy: 26.234 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: 439 Temperature: 0.900000 Total energy: -1374.495345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.495345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.495345 (E_RNA) where: Base-Base interactions energy: -916.874 where: short stacking energy: -405.371 Base-Backbone interact. energy: -0.046 local terms energy: -457.575933 where: bonds (distance) C4'-P energy: -95.504 bonds (distance) P-C4' energy: -86.999 flat angles C4'-P-C4' energy: -91.230 flat angles P-C4'-P energy: -63.754 tors. eta vs tors. theta energy: -120.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -1367.853304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.853304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.853304 (E_RNA) where: Base-Base interactions energy: -963.809 where: short stacking energy: -401.476 Base-Backbone interact. energy: 4.493 local terms energy: -408.537222 where: bonds (distance) C4'-P energy: -76.355 bonds (distance) P-C4' energy: -69.126 flat angles C4'-P-C4' energy: -84.032 flat angles P-C4'-P energy: -69.494 tors. eta vs tors. theta energy: -109.531 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: 439 Temperature: 1.000000 Total energy: -1268.365856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.365856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.365856 (E_RNA) where: Base-Base interactions energy: -876.909 where: short stacking energy: -357.838 Base-Backbone interact. energy: -2.145 local terms energy: -389.312109 where: bonds (distance) C4'-P energy: -72.568 bonds (distance) P-C4' energy: -69.753 flat angles C4'-P-C4' energy: -90.704 flat angles P-C4'-P energy: -51.454 tors. eta vs tors. theta energy: -104.833 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: 8 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -1183.907513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.907513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.907513 (E_RNA) where: Base-Base interactions energy: -795.077 where: short stacking energy: -345.826 Base-Backbone interact. energy: 4.339 local terms energy: -393.169560 where: bonds (distance) C4'-P energy: -70.420 bonds (distance) P-C4' energy: -78.032 flat angles C4'-P-C4' energy: -81.018 flat angles P-C4'-P energy: -60.192 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: 5, replica: 1 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -1083.377258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.377258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.377258 (E_RNA) where: Base-Base interactions energy: -712.897 where: short stacking energy: -308.344 Base-Backbone interact. energy: 0.442 local terms energy: -370.922367 where: bonds (distance) C4'-P energy: -75.862 bonds (distance) P-C4' energy: -82.601 flat angles C4'-P-C4' energy: -75.043 flat angles P-C4'-P energy: -61.450 tors. eta vs tors. theta energy: -75.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -990.407706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.407706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.407706 (E_RNA) where: Base-Base interactions energy: -636.662 where: short stacking energy: -287.615 Base-Backbone interact. energy: -1.872 local terms energy: -351.874018 where: bonds (distance) C4'-P energy: -75.969 bonds (distance) P-C4' energy: -72.633 flat angles C4'-P-C4' energy: -84.368 flat angles P-C4'-P energy: -43.948 tors. eta vs tors. theta energy: -74.956 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: 5 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -787.774744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.774744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.774744 (E_RNA) where: Base-Base interactions energy: -464.113 where: short stacking energy: -217.175 Base-Backbone interact. energy: -2.082 local terms energy: -321.579183 where: bonds (distance) C4'-P energy: -67.120 bonds (distance) P-C4' energy: -71.912 flat angles C4'-P-C4' energy: -72.452 flat angles P-C4'-P energy: -49.077 tors. eta vs tors. theta energy: -61.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -595.711645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.711645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.711645 (E_RNA) where: Base-Base interactions energy: -341.165 where: short stacking energy: -170.347 Base-Backbone interact. energy: -0.426 local terms energy: -254.119931 where: bonds (distance) C4'-P energy: -62.115 bonds (distance) P-C4' energy: -62.183 flat angles C4'-P-C4' energy: -65.963 flat angles P-C4'-P energy: -44.671 tors. eta vs tors. theta energy: -19.188 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: 9, replica: 4 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -429.124122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.124122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.124122 (E_RNA) where: Base-Base interactions energy: -214.230 where: short stacking energy: -148.485 Base-Backbone interact. energy: 5.708 local terms energy: -220.601666 where: bonds (distance) C4'-P energy: -73.404 bonds (distance) P-C4' energy: -62.823 flat angles C4'-P-C4' energy: -43.014 flat angles P-C4'-P energy: -38.360 tors. eta vs tors. theta energy: -3.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -340.837059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.837059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.837059 (E_RNA) where: Base-Base interactions energy: -111.392 where: short stacking energy: -80.269 Base-Backbone interact. energy: -0.582 local terms energy: -228.863725 where: bonds (distance) C4'-P energy: -65.463 bonds (distance) P-C4' energy: -78.133 flat angles C4'-P-C4' energy: -57.974 flat angles P-C4'-P energy: -36.605 tors. eta vs tors. theta energy: 9.311 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: 3 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -1396.247285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.247285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.247285 (E_RNA) where: Base-Base interactions energy: -974.191 where: short stacking energy: -421.591 Base-Backbone interact. energy: -3.338 local terms energy: -418.718133 where: bonds (distance) C4'-P energy: -79.415 bonds (distance) P-C4' energy: -70.392 flat angles C4'-P-C4' energy: -88.907 flat angles P-C4'-P energy: -66.984 tors. eta vs tors. theta energy: -113.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -1374.322156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.322156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.322156 (E_RNA) where: Base-Base interactions energy: -916.263 where: short stacking energy: -427.837 Base-Backbone interact. energy: -0.568 local terms energy: -457.491057 where: bonds (distance) C4'-P energy: -70.640 bonds (distance) P-C4' energy: -75.578 flat angles C4'-P-C4' energy: -102.083 flat angles P-C4'-P energy: -70.030 tors. eta vs tors. theta energy: -139.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -1244.137906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.137906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.137906 (E_RNA) where: Base-Base interactions energy: -842.949 where: short stacking energy: -359.679 Base-Backbone interact. energy: -1.551 local terms energy: -399.637084 where: bonds (distance) C4'-P energy: -76.400 bonds (distance) P-C4' energy: -73.726 flat angles C4'-P-C4' energy: -83.249 flat angles P-C4'-P energy: -62.954 tors. eta vs tors. theta energy: -103.308 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: 8 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -1216.960928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.960928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.960928 (E_RNA) where: Base-Base interactions energy: -813.098 where: short stacking energy: -378.891 Base-Backbone interact. energy: 0.581 local terms energy: -404.444258 where: bonds (distance) C4'-P energy: -64.662 bonds (distance) P-C4' energy: -73.309 flat angles C4'-P-C4' energy: -91.903 flat angles P-C4'-P energy: -54.176 tors. eta vs tors. theta energy: -120.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -1086.643563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.643563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.643563 (E_RNA) where: Base-Base interactions energy: -704.107 where: short stacking energy: -305.062 Base-Backbone interact. energy: 2.023 local terms energy: -384.559898 where: bonds (distance) C4'-P energy: -81.262 bonds (distance) P-C4' energy: -82.220 flat angles C4'-P-C4' energy: -74.133 flat angles P-C4'-P energy: -60.463 tors. eta vs tors. theta energy: -86.483 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: 6 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -953.341726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.341726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.341726 (E_RNA) where: Base-Base interactions energy: -604.928 where: short stacking energy: -261.176 Base-Backbone interact. energy: -0.239 local terms energy: -348.175202 where: bonds (distance) C4'-P energy: -74.627 bonds (distance) P-C4' energy: -79.297 flat angles C4'-P-C4' energy: -70.151 flat angles P-C4'-P energy: -56.046 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: 7, replica: 5 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -778.248555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.248555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.248555 (E_RNA) where: Base-Base interactions energy: -497.616 where: short stacking energy: -243.968 Base-Backbone interact. energy: 0.757 local terms energy: -281.389479 where: bonds (distance) C4'-P energy: -70.358 bonds (distance) P-C4' energy: -77.696 flat angles C4'-P-C4' energy: -62.547 flat angles P-C4'-P energy: -30.537 tors. eta vs tors. theta energy: -40.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -609.525459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.525459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.525459 (E_RNA) where: Base-Base interactions energy: -319.498 where: short stacking energy: -196.133 Base-Backbone interact. energy: -0.266 local terms energy: -289.761089 where: bonds (distance) C4'-P energy: -75.781 bonds (distance) P-C4' energy: -72.371 flat angles C4'-P-C4' energy: -61.308 flat angles P-C4'-P energy: -47.565 tors. eta vs tors. theta energy: -32.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -491.809358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.809358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.809358 (E_RNA) where: Base-Base interactions energy: -212.538 where: short stacking energy: -148.170 Base-Backbone interact. energy: -1.442 local terms energy: -277.829471 where: bonds (distance) C4'-P energy: -75.499 bonds (distance) P-C4' energy: -78.590 flat angles C4'-P-C4' energy: -53.170 flat angles P-C4'-P energy: -42.739 tors. eta vs tors. theta energy: -27.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -328.132052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.132052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.132052 (E_RNA) where: Base-Base interactions energy: -136.180 where: short stacking energy: -98.123 Base-Backbone interact. energy: 3.313 local terms energy: -195.264668 where: bonds (distance) C4'-P energy: -67.401 bonds (distance) P-C4' energy: -61.668 flat angles C4'-P-C4' energy: -57.314 flat angles P-C4'-P energy: -15.485 tors. eta vs tors. theta energy: 6.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -1437.723335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.723335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.723335 (E_RNA) where: Base-Base interactions energy: -994.971 where: short stacking energy: -410.729 Base-Backbone interact. energy: -4.236 local terms energy: -438.515971 where: bonds (distance) C4'-P energy: -81.113 bonds (distance) P-C4' energy: -75.776 flat angles C4'-P-C4' energy: -96.780 flat angles P-C4'-P energy: -63.745 tors. eta vs tors. theta energy: -121.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -1344.710409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.710409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.710409 (E_RNA) where: Base-Base interactions energy: -905.649 where: short stacking energy: -380.518 Base-Backbone interact. energy: -0.805 local terms energy: -438.255991 where: bonds (distance) C4'-P energy: -77.269 bonds (distance) P-C4' energy: -81.062 flat angles C4'-P-C4' energy: -92.681 flat angles P-C4'-P energy: -61.105 tors. eta vs tors. theta energy: -126.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -1272.853332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.853332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.853332 (E_RNA) where: Base-Base interactions energy: -868.312 where: short stacking energy: -367.609 Base-Backbone interact. energy: -1.512 local terms energy: -403.030248 where: bonds (distance) C4'-P energy: -80.263 bonds (distance) P-C4' energy: -76.520 flat angles C4'-P-C4' energy: -76.860 flat angles P-C4'-P energy: -60.513 tors. eta vs tors. theta energy: -108.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -1190.445523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.445523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.445523 (E_RNA) where: Base-Base interactions energy: -795.135 where: short stacking energy: -361.907 Base-Backbone interact. energy: -0.467 local terms energy: -394.843592 where: bonds (distance) C4'-P energy: -71.086 bonds (distance) P-C4' energy: -79.184 flat angles C4'-P-C4' energy: -87.458 flat angles P-C4'-P energy: -53.125 tors. eta vs tors. theta energy: -103.991 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: 1 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -1064.845489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.845489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.845489 (E_RNA) where: Base-Base interactions energy: -705.055 where: short stacking energy: -308.932 Base-Backbone interact. energy: -1.801 local terms energy: -357.989425 where: bonds (distance) C4'-P energy: -71.762 bonds (distance) P-C4' energy: -81.048 flat angles C4'-P-C4' energy: -83.639 flat angles P-C4'-P energy: -50.157 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: 6, replica: 6 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -953.263880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.263880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.263880 (E_RNA) where: Base-Base interactions energy: -618.051 where: short stacking energy: -298.966 Base-Backbone interact. energy: -1.166 local terms energy: -334.047224 where: bonds (distance) C4'-P energy: -64.676 bonds (distance) P-C4' energy: -68.033 flat angles C4'-P-C4' energy: -82.684 flat angles P-C4'-P energy: -42.283 tors. eta vs tors. theta energy: -76.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -772.178107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.178107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.178107 (E_RNA) where: Base-Base interactions energy: -475.499 where: short stacking energy: -209.077 Base-Backbone interact. energy: -0.136 local terms energy: -296.542642 where: bonds (distance) C4'-P energy: -65.968 bonds (distance) P-C4' energy: -66.368 flat angles C4'-P-C4' energy: -74.962 flat angles P-C4'-P energy: -50.797 tors. eta vs tors. theta energy: -38.448 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: 2 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -631.858670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.858670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.858670 (E_RNA) where: Base-Base interactions energy: -335.697 where: short stacking energy: -168.028 Base-Backbone interact. energy: -1.484 local terms energy: -294.677520 where: bonds (distance) C4'-P energy: -62.850 bonds (distance) P-C4' energy: -77.547 flat angles C4'-P-C4' energy: -70.942 flat angles P-C4'-P energy: -49.402 tors. eta vs tors. theta energy: -33.936 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: 4 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -474.845740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.845740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.845740 (E_RNA) where: Base-Base interactions energy: -239.934 where: short stacking energy: -118.827 Base-Backbone interact. energy: -1.287 local terms energy: -233.624728 where: bonds (distance) C4'-P energy: -64.903 bonds (distance) P-C4' energy: -78.027 flat angles C4'-P-C4' energy: -62.588 flat angles P-C4'-P energy: -24.106 tors. eta vs tors. theta energy: -4.001 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: 10 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -321.735488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -321.735488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -321.735488 (E_RNA) where: Base-Base interactions energy: -119.999 where: short stacking energy: -104.769 Base-Backbone interact. energy: 3.426 local terms energy: -205.161885 where: bonds (distance) C4'-P energy: -62.797 bonds (distance) P-C4' energy: -59.153 flat angles C4'-P-C4' energy: -56.968 flat angles P-C4'-P energy: -30.689 tors. eta vs tors. theta energy: 4.445 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: 442 Temperature: 0.900000 Total energy: -1425.437728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.437728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.437728 (E_RNA) where: Base-Base interactions energy: -990.048 where: short stacking energy: -424.937 Base-Backbone interact. energy: -4.200 local terms energy: -431.189932 where: bonds (distance) C4'-P energy: -85.840 bonds (distance) P-C4' energy: -80.455 flat angles C4'-P-C4' energy: -87.366 flat angles P-C4'-P energy: -57.058 tors. eta vs tors. theta energy: -120.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -1378.151410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.151410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.151410 (E_RNA) where: Base-Base interactions energy: -958.820 where: short stacking energy: -414.838 Base-Backbone interact. energy: -0.453 local terms energy: -418.878786 where: bonds (distance) C4'-P energy: -65.653 bonds (distance) P-C4' energy: -69.692 flat angles C4'-P-C4' energy: -94.974 flat angles P-C4'-P energy: -63.256 tors. eta vs tors. theta energy: -125.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -1209.493534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.493534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.493534 (E_RNA) where: Base-Base interactions energy: -782.946 where: short stacking energy: -356.747 Base-Backbone interact. energy: 0.360 local terms energy: -426.907975 where: bonds (distance) C4'-P energy: -78.625 bonds (distance) P-C4' energy: -80.277 flat angles C4'-P-C4' energy: -91.846 flat angles P-C4'-P energy: -64.012 tors. eta vs tors. theta energy: -112.147 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: 9 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -1248.068478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.068478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.068478 (E_RNA) where: Base-Base interactions energy: -872.369 where: short stacking energy: -362.726 Base-Backbone interact. energy: 0.962 local terms energy: -376.661569 where: bonds (distance) C4'-P energy: -65.029 bonds (distance) P-C4' energy: -62.860 flat angles C4'-P-C4' energy: -87.413 flat angles P-C4'-P energy: -53.119 tors. eta vs tors. theta energy: -108.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -1054.195278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.195278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.195278 (E_RNA) where: Base-Base interactions energy: -692.803 where: short stacking energy: -293.380 Base-Backbone interact. energy: -2.414 local terms energy: -358.978150 where: bonds (distance) C4'-P energy: -65.585 bonds (distance) P-C4' energy: -80.657 flat angles C4'-P-C4' energy: -88.107 flat angles P-C4'-P energy: -49.658 tors. eta vs tors. theta energy: -74.970 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: 6, replica: 6 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -960.552876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.552876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.552876 (E_RNA) where: Base-Base interactions energy: -628.460 where: short stacking energy: -284.378 Base-Backbone interact. energy: -0.075 local terms energy: -332.018372 where: bonds (distance) C4'-P energy: -67.177 bonds (distance) P-C4' energy: -59.207 flat angles C4'-P-C4' energy: -71.010 flat angles P-C4'-P energy: -53.292 tors. eta vs tors. theta energy: -81.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -765.006071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.006071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.006071 (E_RNA) where: Base-Base interactions energy: -471.677 where: short stacking energy: -239.662 Base-Backbone interact. energy: 1.790 local terms energy: -295.119411 where: bonds (distance) C4'-P energy: -65.061 bonds (distance) P-C4' energy: -71.225 flat angles C4'-P-C4' energy: -67.318 flat angles P-C4'-P energy: -47.299 tors. eta vs tors. theta energy: -44.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -624.472082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.472082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.472082 (E_RNA) where: Base-Base interactions energy: -350.249 where: short stacking energy: -177.538 Base-Backbone interact. energy: 0.268 local terms energy: -274.491468 where: bonds (distance) C4'-P energy: -57.689 bonds (distance) P-C4' energy: -75.705 flat angles C4'-P-C4' energy: -71.447 flat angles P-C4'-P energy: -42.564 tors. eta vs tors. theta energy: -27.086 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: 4 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -486.527538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.527538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.527538 (E_RNA) where: Base-Base interactions energy: -245.661 where: short stacking energy: -144.554 Base-Backbone interact. energy: -2.930 local terms energy: -237.937043 where: bonds (distance) C4'-P energy: -59.444 bonds (distance) P-C4' energy: -72.983 flat angles C4'-P-C4' energy: -62.647 flat angles P-C4'-P energy: -36.887 tors. eta vs tors. theta energy: -5.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -329.757816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.757816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.757816 (E_RNA) where: Base-Base interactions energy: -125.380 where: short stacking energy: -97.817 Base-Backbone interact. energy: 3.407 local terms energy: -207.784734 where: bonds (distance) C4'-P energy: -65.815 bonds (distance) P-C4' energy: -76.207 flat angles C4'-P-C4' energy: -47.268 flat angles P-C4'-P energy: -26.499 tors. eta vs tors. theta energy: 8.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -1421.945602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.945602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.945602 (E_RNA) where: Base-Base interactions energy: -991.628 where: short stacking energy: -407.165 Base-Backbone interact. energy: -1.739 local terms energy: -428.578897 where: bonds (distance) C4'-P energy: -73.607 bonds (distance) P-C4' energy: -79.239 flat angles C4'-P-C4' energy: -93.002 flat angles P-C4'-P energy: -65.342 tors. eta vs tors. theta energy: -117.390 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: 443 Temperature: 0.950000 Total energy: -1365.046600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.046600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.046600 (E_RNA) where: Base-Base interactions energy: -943.504 where: short stacking energy: -401.987 Base-Backbone interact. energy: -0.804 local terms energy: -420.738422 where: bonds (distance) C4'-P energy: -83.104 bonds (distance) P-C4' energy: -73.026 flat angles C4'-P-C4' energy: -86.701 flat angles P-C4'-P energy: -58.043 tors. eta vs tors. theta energy: -119.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -1252.853435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.853435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.853435 (E_RNA) where: Base-Base interactions energy: -819.877 where: short stacking energy: -370.163 Base-Backbone interact. energy: 0.907 local terms energy: -433.883623 where: bonds (distance) C4'-P energy: -77.208 bonds (distance) P-C4' energy: -79.933 flat angles C4'-P-C4' energy: -92.897 flat angles P-C4'-P energy: -64.538 tors. eta vs tors. theta energy: -119.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -1252.671934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.671934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.671934 (E_RNA) where: Base-Base interactions energy: -858.395 where: short stacking energy: -351.601 Base-Backbone interact. energy: 0.439 local terms energy: -394.715670 where: bonds (distance) C4'-P energy: -79.177 bonds (distance) P-C4' energy: -86.209 flat angles C4'-P-C4' energy: -72.341 flat angles P-C4'-P energy: -59.732 tors. eta vs tors. theta energy: -97.257 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: 1 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -1096.885045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.885045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.885045 (E_RNA) where: Base-Base interactions energy: -742.299 where: short stacking energy: -324.572 Base-Backbone interact. energy: 1.167 local terms energy: -355.752567 where: bonds (distance) C4'-P energy: -63.652 bonds (distance) P-C4' energy: -68.406 flat angles C4'-P-C4' energy: -85.638 flat angles P-C4'-P energy: -45.297 tors. eta vs tors. theta energy: -92.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -964.474178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.474178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.474178 (E_RNA) where: Base-Base interactions energy: -628.192 where: short stacking energy: -263.953 Base-Backbone interact. energy: -1.328 local terms energy: -334.954524 where: bonds (distance) C4'-P energy: -62.256 bonds (distance) P-C4' energy: -69.900 flat angles C4'-P-C4' energy: -77.233 flat angles P-C4'-P energy: -49.607 tors. eta vs tors. theta energy: -75.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -757.314715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.314715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.314715 (E_RNA) where: Base-Base interactions energy: -455.342 where: short stacking energy: -237.673 Base-Backbone interact. energy: 1.296 local terms energy: -303.268211 where: bonds (distance) C4'-P energy: -54.320 bonds (distance) P-C4' energy: -75.751 flat angles C4'-P-C4' energy: -67.610 flat angles P-C4'-P energy: -50.455 tors. eta vs tors. theta energy: -55.131 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: 2 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -603.523975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.523975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.523975 (E_RNA) where: Base-Base interactions energy: -321.845 where: short stacking energy: -178.339 Base-Backbone interact. energy: 0.217 local terms energy: -281.895524 where: bonds (distance) C4'-P energy: -74.391 bonds (distance) P-C4' energy: -71.291 flat angles C4'-P-C4' energy: -69.707 flat angles P-C4'-P energy: -47.616 tors. eta vs tors. theta energy: -18.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -524.907789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.907789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.907789 (E_RNA) where: Base-Base interactions energy: -265.579 where: short stacking energy: -153.234 Base-Backbone interact. energy: 0.946 local terms energy: -260.275508 where: bonds (distance) C4'-P energy: -66.804 bonds (distance) P-C4' energy: -59.678 flat angles C4'-P-C4' energy: -65.053 flat angles P-C4'-P energy: -45.577 tors. eta vs tors. theta energy: -23.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -324.676420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.676420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.676420 (E_RNA) where: Base-Base interactions energy: -136.071 where: short stacking energy: -94.308 Base-Backbone interact. energy: 4.735 local terms energy: -193.340791 where: bonds (distance) C4'-P energy: -46.381 bonds (distance) P-C4' energy: -69.546 flat angles C4'-P-C4' energy: -67.978 flat angles P-C4'-P energy: -27.206 tors. eta vs tors. theta energy: 17.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -1434.290744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.290744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.290744 (E_RNA) where: Base-Base interactions energy: -995.371 where: short stacking energy: -410.318 Base-Backbone interact. energy: -2.993 local terms energy: -435.927128 where: bonds (distance) C4'-P energy: -78.653 bonds (distance) P-C4' energy: -93.072 flat angles C4'-P-C4' energy: -87.544 flat angles P-C4'-P energy: -64.211 tors. eta vs tors. theta energy: -112.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -1371.025163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.025163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.025163 (E_RNA) where: Base-Base interactions energy: -939.257 where: short stacking energy: -409.142 Base-Backbone interact. energy: -0.803 local terms energy: -430.965016 where: bonds (distance) C4'-P energy: -77.622 bonds (distance) P-C4' energy: -78.488 flat angles C4'-P-C4' energy: -93.089 flat angles P-C4'-P energy: -56.769 tors. eta vs tors. theta energy: -124.997 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: 3, replica: 8 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -1277.483162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.483162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.483162 (E_RNA) where: Base-Base interactions energy: -847.452 where: short stacking energy: -384.530 Base-Backbone interact. energy: 0.709 local terms energy: -430.740341 where: bonds (distance) C4'-P energy: -84.818 bonds (distance) P-C4' energy: -84.430 flat angles C4'-P-C4' energy: -88.695 flat angles P-C4'-P energy: -60.717 tors. eta vs tors. theta energy: -112.081 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: 4, replica: 9 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -1239.339565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.339565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.339565 (E_RNA) where: Base-Base interactions energy: -836.299 where: short stacking energy: -354.031 Base-Backbone interact. energy: -1.494 local terms energy: -401.546285 where: bonds (distance) C4'-P energy: -85.864 bonds (distance) P-C4' energy: -67.624 flat angles C4'-P-C4' energy: -88.984 flat angles P-C4'-P energy: -56.552 tors. eta vs tors. theta energy: -102.522 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: 1 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -1102.639127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.639127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.639127 (E_RNA) where: Base-Base interactions energy: -743.520 where: short stacking energy: -324.775 Base-Backbone interact. energy: -2.779 local terms energy: -356.340015 where: bonds (distance) C4'-P energy: -72.174 bonds (distance) P-C4' energy: -74.578 flat angles C4'-P-C4' energy: -72.279 flat angles P-C4'-P energy: -47.732 tors. eta vs tors. theta energy: -89.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -971.699607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.699607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.699607 (E_RNA) where: Base-Base interactions energy: -620.385 where: short stacking energy: -254.790 Base-Backbone interact. energy: -1.628 local terms energy: -349.686503 where: bonds (distance) C4'-P energy: -66.339 bonds (distance) P-C4' energy: -74.135 flat angles C4'-P-C4' energy: -87.933 flat angles P-C4'-P energy: -54.576 tors. eta vs tors. theta energy: -66.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -775.049133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.049133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.049133 (E_RNA) where: Base-Base interactions energy: -436.263 where: short stacking energy: -213.441 Base-Backbone interact. energy: -1.581 local terms energy: -337.205201 where: bonds (distance) C4'-P energy: -72.395 bonds (distance) P-C4' energy: -85.192 flat angles C4'-P-C4' energy: -73.572 flat angles P-C4'-P energy: -55.305 tors. eta vs tors. theta energy: -50.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -613.209083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.209083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.209083 (E_RNA) where: Base-Base interactions energy: -312.730 where: short stacking energy: -170.457 Base-Backbone interact. energy: -1.298 local terms energy: -299.180642 where: bonds (distance) C4'-P energy: -74.496 bonds (distance) P-C4' energy: -81.596 flat angles C4'-P-C4' energy: -82.255 flat angles P-C4'-P energy: -45.802 tors. eta vs tors. theta energy: -15.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -448.309516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.309516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.309516 (E_RNA) where: Base-Base interactions energy: -223.348 where: short stacking energy: -130.209 Base-Backbone interact. energy: -4.020 local terms energy: -220.941972 where: bonds (distance) C4'-P energy: -48.467 bonds (distance) P-C4' energy: -65.556 flat angles C4'-P-C4' energy: -67.943 flat angles P-C4'-P energy: -43.408 tors. eta vs tors. theta energy: 4.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -320.373801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.373801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.373801 (E_RNA) where: Base-Base interactions energy: -98.390 where: short stacking energy: -76.491 Base-Backbone interact. energy: -2.276 local terms energy: -219.708657 where: bonds (distance) C4'-P energy: -61.264 bonds (distance) P-C4' energy: -66.338 flat angles C4'-P-C4' energy: -66.682 flat angles P-C4'-P energy: -47.244 tors. eta vs tors. theta energy: 21.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -1426.069049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.069049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.069049 (E_RNA) where: Base-Base interactions energy: -978.171 where: short stacking energy: -399.496 Base-Backbone interact. energy: -3.769 local terms energy: -444.128650 where: bonds (distance) C4'-P energy: -89.127 bonds (distance) P-C4' energy: -81.999 flat angles C4'-P-C4' energy: -93.936 flat angles P-C4'-P energy: -59.796 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: 2, replica: 8 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -1336.974622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.974622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.974622 (E_RNA) where: Base-Base interactions energy: -898.798 where: short stacking energy: -405.382 Base-Backbone interact. energy: -0.010 local terms energy: -438.167178 where: bonds (distance) C4'-P energy: -77.816 bonds (distance) P-C4' energy: -85.784 flat angles C4'-P-C4' energy: -93.810 flat angles P-C4'-P energy: -56.980 tors. eta vs tors. theta energy: -123.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -1332.864801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.864801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.864801 (E_RNA) where: Base-Base interactions energy: -908.731 where: short stacking energy: -401.323 Base-Backbone interact. energy: -0.961 local terms energy: -423.172982 where: bonds (distance) C4'-P energy: -83.831 bonds (distance) P-C4' energy: -84.227 flat angles C4'-P-C4' energy: -80.412 flat angles P-C4'-P energy: -51.263 tors. eta vs tors. theta energy: -123.440 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: 445 Temperature: 1.050000 Total energy: -1261.682213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.682213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.682213 (E_RNA) where: Base-Base interactions energy: -864.355 where: short stacking energy: -374.435 Base-Backbone interact. energy: -4.144 local terms energy: -393.182587 where: bonds (distance) C4'-P energy: -66.110 bonds (distance) P-C4' energy: -77.188 flat angles C4'-P-C4' energy: -88.063 flat angles P-C4'-P energy: -48.275 tors. eta vs tors. theta energy: -113.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -1124.517778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.517778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.517778 (E_RNA) where: Base-Base interactions energy: -743.580 where: short stacking energy: -320.942 Base-Backbone interact. energy: 0.706 local terms energy: -381.644451 where: bonds (distance) C4'-P energy: -70.827 bonds (distance) P-C4' energy: -72.927 flat angles C4'-P-C4' energy: -69.633 flat angles P-C4'-P energy: -64.091 tors. eta vs tors. theta energy: -104.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -968.388395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.388395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.388395 (E_RNA) where: Base-Base interactions energy: -633.756 where: short stacking energy: -284.633 Base-Backbone interact. energy: -0.849 local terms energy: -333.783159 where: bonds (distance) C4'-P energy: -70.039 bonds (distance) P-C4' energy: -77.100 flat angles C4'-P-C4' energy: -81.060 flat angles P-C4'-P energy: -29.595 tors. eta vs tors. theta energy: -75.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -718.016670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.016670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.016670 (E_RNA) where: Base-Base interactions energy: -434.851 where: short stacking energy: -218.971 Base-Backbone interact. energy: 5.048 local terms energy: -288.213308 where: bonds (distance) C4'-P energy: -70.652 bonds (distance) P-C4' energy: -70.076 flat angles C4'-P-C4' energy: -56.001 flat angles P-C4'-P energy: -37.541 tors. eta vs tors. theta energy: -53.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -637.045446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.045446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.045446 (E_RNA) where: Base-Base interactions energy: -365.500 where: short stacking energy: -166.904 Base-Backbone interact. energy: -1.407 local terms energy: -270.138275 where: bonds (distance) C4'-P energy: -73.816 bonds (distance) P-C4' energy: -67.977 flat angles C4'-P-C4' energy: -64.345 flat angles P-C4'-P energy: -40.356 tors. eta vs tors. theta energy: -23.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -422.543370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.543370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.543370 (E_RNA) where: Base-Base interactions energy: -194.871 where: short stacking energy: -127.673 Base-Backbone interact. energy: -1.995 local terms energy: -225.677109 where: bonds (distance) C4'-P energy: -49.320 bonds (distance) P-C4' energy: -73.384 flat angles C4'-P-C4' energy: -61.853 flat angles P-C4'-P energy: -35.380 tors. eta vs tors. theta energy: -5.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -310.452222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -310.452222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -310.452222 (E_RNA) where: Base-Base interactions energy: -99.500 where: short stacking energy: -76.561 Base-Backbone interact. energy: -0.915 local terms energy: -210.037798 where: bonds (distance) C4'-P energy: -65.105 bonds (distance) P-C4' energy: -69.412 flat angles C4'-P-C4' energy: -64.882 flat angles P-C4'-P energy: -38.434 tors. eta vs tors. theta energy: 27.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -1423.057288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.057288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.057288 (E_RNA) where: Base-Base interactions energy: -992.254 where: short stacking energy: -412.063 Base-Backbone interact. energy: -2.549 local terms energy: -428.254168 where: bonds (distance) C4'-P energy: -86.154 bonds (distance) P-C4' energy: -74.536 flat angles C4'-P-C4' energy: -84.053 flat angles P-C4'-P energy: -65.283 tors. eta vs tors. theta energy: -118.229 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: 8 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -1316.638294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.638294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.638294 (E_RNA) where: Base-Base interactions energy: -888.405 where: short stacking energy: -391.589 Base-Backbone interact. energy: 2.833 local terms energy: -431.066068 where: bonds (distance) C4'-P energy: -79.100 bonds (distance) P-C4' energy: -83.645 flat angles C4'-P-C4' energy: -86.159 flat angles P-C4'-P energy: -56.508 tors. eta vs tors. theta energy: -125.654 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: 7 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -1320.122789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.122789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.122789 (E_RNA) where: Base-Base interactions energy: -893.830 where: short stacking energy: -412.786 Base-Backbone interact. energy: -0.397 local terms energy: -425.895849 where: bonds (distance) C4'-P energy: -77.141 bonds (distance) P-C4' energy: -70.800 flat angles C4'-P-C4' energy: -92.592 flat angles P-C4'-P energy: -57.994 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: 4, replica: 9 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -1277.813105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.813105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.813105 (E_RNA) where: Base-Base interactions energy: -881.106 where: short stacking energy: -363.107 Base-Backbone interact. energy: -1.719 local terms energy: -394.987918 where: bonds (distance) C4'-P energy: -73.837 bonds (distance) P-C4' energy: -64.096 flat angles C4'-P-C4' energy: -83.270 flat angles P-C4'-P energy: -56.833 tors. eta vs tors. theta energy: -116.953 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: 1 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -1111.814559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.814559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.814559 (E_RNA) where: Base-Base interactions energy: -732.344 where: short stacking energy: -332.983 Base-Backbone interact. energy: -1.297 local terms energy: -378.173725 where: bonds (distance) C4'-P energy: -75.477 bonds (distance) P-C4' energy: -77.347 flat angles C4'-P-C4' energy: -71.818 flat angles P-C4'-P energy: -55.716 tors. eta vs tors. theta energy: -97.815 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: 6 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -896.542876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.542876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.542876 (E_RNA) where: Base-Base interactions energy: -540.058 where: short stacking energy: -229.796 Base-Backbone interact. energy: -1.421 local terms energy: -355.063838 where: bonds (distance) C4'-P energy: -76.611 bonds (distance) P-C4' energy: -82.230 flat angles C4'-P-C4' energy: -81.579 flat angles P-C4'-P energy: -47.578 tors. eta vs tors. theta energy: -67.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -781.224537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.224537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.224537 (E_RNA) where: Base-Base interactions energy: -478.490 where: short stacking energy: -214.159 Base-Backbone interact. energy: 1.615 local terms energy: -304.349832 where: bonds (distance) C4'-P energy: -70.678 bonds (distance) P-C4' energy: -80.242 flat angles C4'-P-C4' energy: -73.112 flat angles P-C4'-P energy: -49.559 tors. eta vs tors. theta energy: -30.759 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: 2 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -645.703599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.703599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.703599 (E_RNA) where: Base-Base interactions energy: -363.338 where: short stacking energy: -177.735 Base-Backbone interact. energy: 2.474 local terms energy: -284.839977 where: bonds (distance) C4'-P energy: -67.113 bonds (distance) P-C4' energy: -74.038 flat angles C4'-P-C4' energy: -57.608 flat angles P-C4'-P energy: -49.636 tors. eta vs tors. theta energy: -36.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -426.499244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.499244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.499244 (E_RNA) where: Base-Base interactions energy: -193.899 where: short stacking energy: -105.514 Base-Backbone interact. energy: 2.757 local terms energy: -235.357660 where: bonds (distance) C4'-P energy: -65.190 bonds (distance) P-C4' energy: -73.481 flat angles C4'-P-C4' energy: -57.435 flat angles P-C4'-P energy: -50.593 tors. eta vs tors. theta energy: 11.342 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: 10, replica: 10 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -329.813397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.813397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.813397 (E_RNA) where: Base-Base interactions energy: -118.812 where: short stacking energy: -93.985 Base-Backbone interact. energy: -1.719 local terms energy: -209.282133 where: bonds (distance) C4'-P energy: -63.140 bonds (distance) P-C4' energy: -57.028 flat angles C4'-P-C4' energy: -56.956 flat angles P-C4'-P energy: -37.638 tors. eta vs tors. theta energy: 5.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -1429.773287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.773287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.773287 (E_RNA) where: Base-Base interactions energy: -996.504 where: short stacking energy: -401.641 Base-Backbone interact. energy: -0.235 local terms energy: -433.034617 where: bonds (distance) C4'-P energy: -83.106 bonds (distance) P-C4' energy: -81.195 flat angles C4'-P-C4' energy: -89.397 flat angles P-C4'-P energy: -65.703 tors. eta vs tors. theta energy: -113.634 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: 7 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -1373.334405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.334405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.334405 (E_RNA) where: Base-Base interactions energy: -942.994 where: short stacking energy: -407.637 Base-Backbone interact. energy: -1.341 local terms energy: -428.999171 where: bonds (distance) C4'-P energy: -74.078 bonds (distance) P-C4' energy: -74.133 flat angles C4'-P-C4' energy: -90.908 flat angles P-C4'-P energy: -60.533 tors. eta vs tors. theta energy: -129.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -1295.011403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.011403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.011403 (E_RNA) where: Base-Base interactions energy: -880.667 where: short stacking energy: -403.381 Base-Backbone interact. energy: 0.486 local terms energy: -414.830096 where: bonds (distance) C4'-P energy: -69.397 bonds (distance) P-C4' energy: -76.744 flat angles C4'-P-C4' energy: -93.706 flat angles P-C4'-P energy: -46.709 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: 4, replica: 9 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -1243.688883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.688883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.688883 (E_RNA) where: Base-Base interactions energy: -849.215 where: short stacking energy: -376.312 Base-Backbone interact. energy: -1.497 local terms energy: -392.977184 where: bonds (distance) C4'-P energy: -71.879 bonds (distance) P-C4' energy: -71.110 flat angles C4'-P-C4' energy: -86.906 flat angles P-C4'-P energy: -57.506 tors. eta vs tors. theta energy: -105.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -1118.187163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.187163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.187163 (E_RNA) where: Base-Base interactions energy: -747.811 where: short stacking energy: -320.114 Base-Backbone interact. energy: -0.661 local terms energy: -369.715187 where: bonds (distance) C4'-P energy: -74.653 bonds (distance) P-C4' energy: -78.096 flat angles C4'-P-C4' energy: -78.291 flat angles P-C4'-P energy: -44.310 tors. eta vs tors. theta energy: -94.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -933.122332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.122332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.122332 (E_RNA) where: Base-Base interactions energy: -616.652 where: short stacking energy: -271.146 Base-Backbone interact. energy: -1.828 local terms energy: -314.642677 where: bonds (distance) C4'-P energy: -73.118 bonds (distance) P-C4' energy: -66.865 flat angles C4'-P-C4' energy: -70.739 flat angles P-C4'-P energy: -38.882 tors. eta vs tors. theta energy: -65.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -728.703590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.703590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.703590 (E_RNA) where: Base-Base interactions energy: -447.199 where: short stacking energy: -214.676 Base-Backbone interact. energy: -1.734 local terms energy: -279.769924 where: bonds (distance) C4'-P energy: -62.525 bonds (distance) P-C4' energy: -75.641 flat angles C4'-P-C4' energy: -63.957 flat angles P-C4'-P energy: -38.339 tors. eta vs tors. theta energy: -39.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -649.779870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.779870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.779870 (E_RNA) where: Base-Base interactions energy: -351.944 where: short stacking energy: -174.444 Base-Backbone interact. energy: -2.735 local terms energy: -295.101607 where: bonds (distance) C4'-P energy: -71.176 bonds (distance) P-C4' energy: -69.087 flat angles C4'-P-C4' energy: -59.479 flat angles P-C4'-P energy: -59.219 tors. eta vs tors. theta energy: -36.141 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: 4 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -439.503939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.503939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.503939 (E_RNA) where: Base-Base interactions energy: -215.077 where: short stacking energy: -138.408 Base-Backbone interact. energy: 4.993 local terms energy: -229.419790 where: bonds (distance) C4'-P energy: -56.887 bonds (distance) P-C4' energy: -66.037 flat angles C4'-P-C4' energy: -80.095 flat angles P-C4'-P energy: -20.642 tors. eta vs tors. theta energy: -5.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -319.916443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.916443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.916443 (E_RNA) where: Base-Base interactions energy: -96.312 where: short stacking energy: -90.283 Base-Backbone interact. energy: -1.751 local terms energy: -221.853258 where: bonds (distance) C4'-P energy: -68.134 bonds (distance) P-C4' energy: -77.322 flat angles C4'-P-C4' energy: -65.337 flat angles P-C4'-P energy: -19.982 tors. eta vs tors. theta energy: 8.921 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: 3 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -1441.520873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.520873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.520873 (E_RNA) where: Base-Base interactions energy: -1016.343 where: short stacking energy: -412.991 Base-Backbone interact. energy: -2.445 local terms energy: -422.732187 where: bonds (distance) C4'-P energy: -64.496 bonds (distance) P-C4' energy: -87.503 flat angles C4'-P-C4' energy: -93.553 flat angles P-C4'-P energy: -56.899 tors. eta vs tors. theta energy: -120.282 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: 7 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -1379.270174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.270174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.270174 (E_RNA) where: Base-Base interactions energy: -937.380 where: short stacking energy: -405.018 Base-Backbone interact. energy: -0.328 local terms energy: -441.562609 where: bonds (distance) C4'-P energy: -82.722 bonds (distance) P-C4' energy: -82.511 flat angles C4'-P-C4' energy: -86.093 flat angles P-C4'-P energy: -60.315 tors. eta vs tors. theta energy: -129.922 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: 9 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -1276.103385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.103385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.103385 (E_RNA) where: Base-Base interactions energy: -854.044 where: short stacking energy: -364.362 Base-Backbone interact. energy: -3.134 local terms energy: -418.925604 where: bonds (distance) C4'-P energy: -83.728 bonds (distance) P-C4' energy: -77.543 flat angles C4'-P-C4' energy: -85.002 flat angles P-C4'-P energy: -66.610 tors. eta vs tors. theta energy: -106.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -1264.794868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.794868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.794868 (E_RNA) where: Base-Base interactions energy: -849.965 where: short stacking energy: -377.796 Base-Backbone interact. energy: 0.307 local terms energy: -415.136255 where: bonds (distance) C4'-P energy: -73.098 bonds (distance) P-C4' energy: -77.959 flat angles C4'-P-C4' energy: -86.543 flat angles P-C4'-P energy: -62.250 tors. eta vs tors. theta energy: -115.286 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: 1 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -1125.328793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.328793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.328793 (E_RNA) where: Base-Base interactions energy: -746.877 where: short stacking energy: -315.752 Base-Backbone interact. energy: -0.985 local terms energy: -377.466245 where: bonds (distance) C4'-P energy: -72.197 bonds (distance) P-C4' energy: -74.660 flat angles C4'-P-C4' energy: -85.254 flat angles P-C4'-P energy: -51.459 tors. eta vs tors. theta energy: -93.895 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: 6 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -946.277109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.277109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.277109 (E_RNA) where: Base-Base interactions energy: -623.685 where: short stacking energy: -272.349 Base-Backbone interact. energy: -0.922 local terms energy: -321.669895 where: bonds (distance) C4'-P energy: -70.615 bonds (distance) P-C4' energy: -70.768 flat angles C4'-P-C4' energy: -86.140 flat angles P-C4'-P energy: -40.276 tors. eta vs tors. theta energy: -53.871 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: 5 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -737.561802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.561802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.561802 (E_RNA) where: Base-Base interactions energy: -434.019 where: short stacking energy: -190.247 Base-Backbone interact. energy: -3.581 local terms energy: -299.962150 where: bonds (distance) C4'-P energy: -77.804 bonds (distance) P-C4' energy: -63.963 flat angles C4'-P-C4' energy: -72.222 flat angles P-C4'-P energy: -51.870 tors. eta vs tors. theta energy: -34.102 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: 8, replica: 2 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -690.748288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.748288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.748288 (E_RNA) where: Base-Base interactions energy: -378.051 where: short stacking energy: -189.727 Base-Backbone interact. energy: 7.062 local terms energy: -319.758848 where: bonds (distance) C4'-P energy: -76.432 bonds (distance) P-C4' energy: -79.357 flat angles C4'-P-C4' energy: -78.381 flat angles P-C4'-P energy: -40.745 tors. eta vs tors. theta energy: -44.843 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: 4 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -479.385651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.385651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.385651 (E_RNA) where: Base-Base interactions energy: -252.269 where: short stacking energy: -158.950 Base-Backbone interact. energy: -1.706 local terms energy: -225.409783 where: bonds (distance) C4'-P energy: -48.306 bonds (distance) P-C4' energy: -80.795 flat angles C4'-P-C4' energy: -56.645 flat angles P-C4'-P energy: -35.739 tors. eta vs tors. theta energy: -3.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -345.423300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.423300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.423300 (E_RNA) where: Base-Base interactions energy: -143.233 where: short stacking energy: -107.185 Base-Backbone interact. energy: -2.141 local terms energy: -200.048442 where: bonds (distance) C4'-P energy: -58.472 bonds (distance) P-C4' energy: -72.558 flat angles C4'-P-C4' energy: -55.391 flat angles P-C4'-P energy: -30.980 tors. eta vs tors. theta energy: 17.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -1410.109024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.109024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.109024 (E_RNA) where: Base-Base interactions energy: -972.174 where: short stacking energy: -380.248 Base-Backbone interact. energy: -1.817 local terms energy: -436.118172 where: bonds (distance) C4'-P energy: -86.272 bonds (distance) P-C4' energy: -87.645 flat angles C4'-P-C4' energy: -92.145 flat angles P-C4'-P energy: -58.625 tors. eta vs tors. theta energy: -111.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -1389.633875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.633875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.633875 (E_RNA) where: Base-Base interactions energy: -952.236 where: short stacking energy: -409.887 Base-Backbone interact. energy: -0.828 local terms energy: -436.570305 where: bonds (distance) C4'-P energy: -81.094 bonds (distance) P-C4' energy: -66.729 flat angles C4'-P-C4' energy: -93.815 flat angles P-C4'-P energy: -62.162 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: 3, replica: 9 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -1293.304771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.304771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.304771 (E_RNA) where: Base-Base interactions energy: -899.669 where: short stacking energy: -362.661 Base-Backbone interact. energy: -2.670 local terms energy: -390.965522 where: bonds (distance) C4'-P energy: -66.703 bonds (distance) P-C4' energy: -83.098 flat angles C4'-P-C4' energy: -80.825 flat angles P-C4'-P energy: -54.052 tors. eta vs tors. theta energy: -106.288 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: 8 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -1241.267840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.267840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.267840 (E_RNA) where: Base-Base interactions energy: -839.007 where: short stacking energy: -370.593 Base-Backbone interact. energy: -0.018 local terms energy: -402.242687 where: bonds (distance) C4'-P energy: -79.139 bonds (distance) P-C4' energy: -73.310 flat angles C4'-P-C4' energy: -82.425 flat angles P-C4'-P energy: -55.807 tors. eta vs tors. theta energy: -111.561 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: 1 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -1120.141872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.141872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.141872 (E_RNA) where: Base-Base interactions energy: -740.428 where: short stacking energy: -320.086 Base-Backbone interact. energy: -3.283 local terms energy: -376.430735 where: bonds (distance) C4'-P energy: -72.863 bonds (distance) P-C4' energy: -88.213 flat angles C4'-P-C4' energy: -80.260 flat angles P-C4'-P energy: -45.665 tors. eta vs tors. theta energy: -89.430 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: 6, replica: 6 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -903.802859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.802859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.802859 (E_RNA) where: Base-Base interactions energy: -565.297 where: short stacking energy: -247.329 Base-Backbone interact. energy: 6.181 local terms energy: -344.686715 where: bonds (distance) C4'-P energy: -71.793 bonds (distance) P-C4' energy: -83.301 flat angles C4'-P-C4' energy: -71.843 flat angles P-C4'-P energy: -50.931 tors. eta vs tors. theta energy: -66.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -792.678394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.678394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.678394 (E_RNA) where: Base-Base interactions energy: -478.019 where: short stacking energy: -235.640 Base-Backbone interact. energy: -1.208 local terms energy: -313.451813 where: bonds (distance) C4'-P energy: -66.990 bonds (distance) P-C4' energy: -73.598 flat angles C4'-P-C4' energy: -80.723 flat angles P-C4'-P energy: -43.821 tors. eta vs tors. theta energy: -48.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -666.703520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.703520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.703520 (E_RNA) where: Base-Base interactions energy: -372.503 where: short stacking energy: -195.993 Base-Backbone interact. energy: -0.067 local terms energy: -294.132948 where: bonds (distance) C4'-P energy: -64.501 bonds (distance) P-C4' energy: -82.336 flat angles C4'-P-C4' energy: -72.539 flat angles P-C4'-P energy: -35.261 tors. eta vs tors. theta energy: -39.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -414.423412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.423412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.423412 (E_RNA) where: Base-Base interactions energy: -195.380 where: short stacking energy: -130.232 Base-Backbone interact. energy: -2.315 local terms energy: -216.728383 where: bonds (distance) C4'-P energy: -65.401 bonds (distance) P-C4' energy: -54.857 flat angles C4'-P-C4' energy: -48.953 flat angles P-C4'-P energy: -42.884 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: 10 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -326.650470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.650470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.650470 (E_RNA) where: Base-Base interactions energy: -112.346 where: short stacking energy: -97.664 Base-Backbone interact. energy: -1.877 local terms energy: -212.427719 where: bonds (distance) C4'-P energy: -64.050 bonds (distance) P-C4' energy: -60.973 flat angles C4'-P-C4' energy: -53.910 flat angles P-C4'-P energy: -39.577 tors. eta vs tors. theta energy: 6.082 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: 7 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -1397.013805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.013805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.013805 (E_RNA) where: Base-Base interactions energy: -955.691 where: short stacking energy: -416.601 Base-Backbone interact. energy: -1.793 local terms energy: -439.529547 where: bonds (distance) C4'-P energy: -79.639 bonds (distance) P-C4' energy: -77.242 flat angles C4'-P-C4' energy: -92.166 flat angles P-C4'-P energy: -52.915 tors. eta vs tors. theta energy: -137.567 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: 3 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -1409.727150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.727150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.727150 (E_RNA) where: Base-Base interactions energy: -986.919 where: short stacking energy: -403.992 Base-Backbone interact. energy: 2.373 local terms energy: -425.181204 where: bonds (distance) C4'-P energy: -71.617 bonds (distance) P-C4' energy: -76.691 flat angles C4'-P-C4' energy: -96.064 flat angles P-C4'-P energy: -63.468 tors. eta vs tors. theta energy: -117.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -1301.752828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.752828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.752828 (E_RNA) where: Base-Base interactions energy: -890.672 where: short stacking energy: -391.840 Base-Backbone interact. energy: -2.241 local terms energy: -408.839317 where: bonds (distance) C4'-P energy: -78.937 bonds (distance) P-C4' energy: -64.980 flat angles C4'-P-C4' energy: -83.516 flat angles P-C4'-P energy: -70.893 tors. eta vs tors. theta energy: -110.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -1260.898246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.898246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.898246 (E_RNA) where: Base-Base interactions energy: -844.308 where: short stacking energy: -376.694 Base-Backbone interact. energy: -1.598 local terms energy: -414.991812 where: bonds (distance) C4'-P energy: -74.701 bonds (distance) P-C4' energy: -70.423 flat angles C4'-P-C4' energy: -80.891 flat angles P-C4'-P energy: -66.939 tors. eta vs tors. theta energy: -122.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -1110.407095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.407095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.407095 (E_RNA) where: Base-Base interactions energy: -750.485 where: short stacking energy: -325.695 Base-Backbone interact. energy: -3.552 local terms energy: -356.369951 where: bonds (distance) C4'-P energy: -69.441 bonds (distance) P-C4' energy: -71.320 flat angles C4'-P-C4' energy: -73.923 flat angles P-C4'-P energy: -54.166 tors. eta vs tors. theta energy: -87.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -914.355323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.355323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.355323 (E_RNA) where: Base-Base interactions energy: -590.971 where: short stacking energy: -277.646 Base-Backbone interact. energy: -2.208 local terms energy: -321.176526 where: bonds (distance) C4'-P energy: -66.083 bonds (distance) P-C4' energy: -75.962 flat angles C4'-P-C4' energy: -66.895 flat angles P-C4'-P energy: -35.081 tors. eta vs tors. theta energy: -77.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -797.745005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.745005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.745005 (E_RNA) where: Base-Base interactions energy: -509.246 where: short stacking energy: -232.173 Base-Backbone interact. energy: -0.627 local terms energy: -287.871689 where: bonds (distance) C4'-P energy: -61.669 bonds (distance) P-C4' energy: -58.447 flat angles C4'-P-C4' energy: -63.629 flat angles P-C4'-P energy: -49.086 tors. eta vs tors. theta energy: -55.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -609.388613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.388613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.388613 (E_RNA) where: Base-Base interactions energy: -337.792 where: short stacking energy: -181.497 Base-Backbone interact. energy: -1.236 local terms energy: -270.361410 where: bonds (distance) C4'-P energy: -58.894 bonds (distance) P-C4' energy: -72.038 flat angles C4'-P-C4' energy: -74.706 flat angles P-C4'-P energy: -44.594 tors. eta vs tors. theta energy: -20.131 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: 4 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -435.852043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.852043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.852043 (E_RNA) where: Base-Base interactions energy: -196.244 where: short stacking energy: -123.124 Base-Backbone interact. energy: 2.638 local terms energy: -242.246084 where: bonds (distance) C4'-P energy: -72.732 bonds (distance) P-C4' energy: -63.717 flat angles C4'-P-C4' energy: -62.485 flat angles P-C4'-P energy: -35.271 tors. eta vs tors. theta energy: -8.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -337.410461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.410461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.410461 (E_RNA) where: Base-Base interactions energy: -111.816 where: short stacking energy: -105.335 Base-Backbone interact. energy: -1.602 local terms energy: -223.992647 where: bonds (distance) C4'-P energy: -76.404 bonds (distance) P-C4' energy: -62.319 flat angles C4'-P-C4' energy: -43.689 flat angles P-C4'-P energy: -37.659 tors. eta vs tors. theta energy: -3.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -1415.564456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.564456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.564456 (E_RNA) where: Base-Base interactions energy: -968.573 where: short stacking energy: -424.611 Base-Backbone interact. energy: -0.298 local terms energy: -446.693475 where: bonds (distance) C4'-P energy: -84.712 bonds (distance) P-C4' energy: -77.917 flat angles C4'-P-C4' energy: -93.748 flat angles P-C4'-P energy: -58.943 tors. eta vs tors. theta energy: -131.374 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: 451 Temperature: 0.950000 Total energy: -1387.842839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.842839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.842839 (E_RNA) where: Base-Base interactions energy: -960.693 where: short stacking energy: -398.301 Base-Backbone interact. energy: 0.005 local terms energy: -427.154766 where: bonds (distance) C4'-P energy: -76.825 bonds (distance) P-C4' energy: -84.457 flat angles C4'-P-C4' energy: -95.566 flat angles P-C4'-P energy: -59.659 tors. eta vs tors. theta energy: -110.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -1273.677446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.677446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.677446 (E_RNA) where: Base-Base interactions energy: -863.060 where: short stacking energy: -369.538 Base-Backbone interact. energy: -1.154 local terms energy: -409.463136 where: bonds (distance) C4'-P energy: -73.976 bonds (distance) P-C4' energy: -82.177 flat angles C4'-P-C4' energy: -89.130 flat angles P-C4'-P energy: -48.839 tors. eta vs tors. theta energy: -115.341 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: 8 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -1239.789212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.789212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.789212 (E_RNA) where: Base-Base interactions energy: -849.689 where: short stacking energy: -373.704 Base-Backbone interact. energy: -0.669 local terms energy: -389.431571 where: bonds (distance) C4'-P energy: -61.752 bonds (distance) P-C4' energy: -67.687 flat angles C4'-P-C4' energy: -87.471 flat angles P-C4'-P energy: -54.350 tors. eta vs tors. theta energy: -118.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -1077.349011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.349011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.349011 (E_RNA) where: Base-Base interactions energy: -712.975 where: short stacking energy: -299.617 Base-Backbone interact. energy: -2.086 local terms energy: -362.288055 where: bonds (distance) C4'-P energy: -67.744 bonds (distance) P-C4' energy: -86.160 flat angles C4'-P-C4' energy: -74.404 flat angles P-C4'-P energy: -45.467 tors. eta vs tors. theta energy: -88.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -912.138741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.138741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.138741 (E_RNA) where: Base-Base interactions energy: -585.866 where: short stacking energy: -246.262 Base-Backbone interact. energy: -0.516 local terms energy: -325.757072 where: bonds (distance) C4'-P energy: -65.815 bonds (distance) P-C4' energy: -73.841 flat angles C4'-P-C4' energy: -76.257 flat angles P-C4'-P energy: -44.582 tors. eta vs tors. theta energy: -65.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -750.322992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.322992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.322992 (E_RNA) where: Base-Base interactions energy: -456.768 where: short stacking energy: -216.043 Base-Backbone interact. energy: -1.097 local terms energy: -292.457813 where: bonds (distance) C4'-P energy: -62.165 bonds (distance) P-C4' energy: -67.514 flat angles C4'-P-C4' energy: -64.415 flat angles P-C4'-P energy: -45.204 tors. eta vs tors. theta energy: -53.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -625.594024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.594024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.594024 (E_RNA) where: Base-Base interactions energy: -346.509 where: short stacking energy: -188.996 Base-Backbone interact. energy: 2.701 local terms energy: -281.786127 where: bonds (distance) C4'-P energy: -63.153 bonds (distance) P-C4' energy: -78.654 flat angles C4'-P-C4' energy: -64.957 flat angles P-C4'-P energy: -51.596 tors. eta vs tors. theta energy: -23.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -417.264418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.264418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.264418 (E_RNA) where: Base-Base interactions energy: -177.880 where: short stacking energy: -112.508 Base-Backbone interact. energy: -1.841 local terms energy: -237.543953 where: bonds (distance) C4'-P energy: -68.582 bonds (distance) P-C4' energy: -62.064 flat angles C4'-P-C4' energy: -57.602 flat angles P-C4'-P energy: -31.498 tors. eta vs tors. theta energy: -17.798 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: 10 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -340.726179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.726179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.726179 (E_RNA) where: Base-Base interactions energy: -113.357 where: short stacking energy: -96.300 Base-Backbone interact. energy: 1.628 local terms energy: -228.997227 where: bonds (distance) C4'-P energy: -65.907 bonds (distance) P-C4' energy: -82.059 flat angles C4'-P-C4' energy: -55.881 flat angles P-C4'-P energy: -28.667 tors. eta vs tors. theta energy: 3.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -1425.838793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.838793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.838793 (E_RNA) where: Base-Base interactions energy: -982.038 where: short stacking energy: -404.350 Base-Backbone interact. energy: -4.304 local terms energy: -439.496706 where: bonds (distance) C4'-P energy: -84.455 bonds (distance) P-C4' energy: -88.189 flat angles C4'-P-C4' energy: -90.361 flat angles P-C4'-P energy: -59.929 tors. eta vs tors. theta energy: -116.562 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: 7 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -1373.963143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.963143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.963143 (E_RNA) where: Base-Base interactions energy: -952.808 where: short stacking energy: -417.820 Base-Backbone interact. energy: -0.793 local terms energy: -420.361676 where: bonds (distance) C4'-P energy: -74.978 bonds (distance) P-C4' energy: -72.950 flat angles C4'-P-C4' energy: -81.860 flat angles P-C4'-P energy: -57.890 tors. eta vs tors. theta energy: -132.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -1295.340622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.340622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.340622 (E_RNA) where: Base-Base interactions energy: -883.272 where: short stacking energy: -373.243 Base-Backbone interact. energy: -0.968 local terms energy: -411.100317 where: bonds (distance) C4'-P energy: -74.234 bonds (distance) P-C4' energy: -82.261 flat angles C4'-P-C4' energy: -93.417 flat angles P-C4'-P energy: -48.524 tors. eta vs tors. theta energy: -112.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -1243.216281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.216281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.216281 (E_RNA) where: Base-Base interactions energy: -823.390 where: short stacking energy: -370.986 Base-Backbone interact. energy: -0.742 local terms energy: -419.084439 where: bonds (distance) C4'-P energy: -71.869 bonds (distance) P-C4' energy: -85.750 flat angles C4'-P-C4' energy: -86.692 flat angles P-C4'-P energy: -56.326 tors. eta vs tors. theta energy: -118.448 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: 1 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -1119.977817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.977817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.977817 (E_RNA) where: Base-Base interactions energy: -748.965 where: short stacking energy: -332.440 Base-Backbone interact. energy: -3.315 local terms energy: -367.698236 where: bonds (distance) C4'-P energy: -74.500 bonds (distance) P-C4' energy: -90.205 flat angles C4'-P-C4' energy: -80.758 flat angles P-C4'-P energy: -39.371 tors. eta vs tors. theta energy: -82.864 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: 6 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -970.799720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.799720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.799720 (E_RNA) where: Base-Base interactions energy: -622.226 where: short stacking energy: -274.892 Base-Backbone interact. energy: -1.316 local terms energy: -347.257746 where: bonds (distance) C4'-P energy: -76.463 bonds (distance) P-C4' energy: -76.174 flat angles C4'-P-C4' energy: -75.716 flat angles P-C4'-P energy: -48.969 tors. eta vs tors. theta energy: -69.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -756.304632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.304632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.304632 (E_RNA) where: Base-Base interactions energy: -462.448 where: short stacking energy: -224.553 Base-Backbone interact. energy: 1.789 local terms energy: -295.645497 where: bonds (distance) C4'-P energy: -66.341 bonds (distance) P-C4' energy: -76.394 flat angles C4'-P-C4' energy: -74.915 flat angles P-C4'-P energy: -40.476 tors. eta vs tors. theta energy: -37.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -638.629673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.629673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.629673 (E_RNA) where: Base-Base interactions energy: -349.256 where: short stacking energy: -166.602 Base-Backbone interact. energy: 4.062 local terms energy: -293.435789 where: bonds (distance) C4'-P energy: -71.703 bonds (distance) P-C4' energy: -72.823 flat angles C4'-P-C4' energy: -58.217 flat angles P-C4'-P energy: -50.888 tors. eta vs tors. theta energy: -39.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -401.694810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.694810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.694810 (E_RNA) where: Base-Base interactions energy: -163.824 where: short stacking energy: -113.192 Base-Backbone interact. energy: 0.085 local terms energy: -237.955382 where: bonds (distance) C4'-P energy: -70.812 bonds (distance) P-C4' energy: -75.598 flat angles C4'-P-C4' energy: -64.244 flat angles P-C4'-P energy: -28.296 tors. eta vs tors. theta energy: 0.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -339.695523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.695523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.695523 (E_RNA) where: Base-Base interactions energy: -105.171 where: short stacking energy: -99.951 Base-Backbone interact. energy: -0.827 local terms energy: -233.698035 where: bonds (distance) C4'-P energy: -77.031 bonds (distance) P-C4' energy: -75.405 flat angles C4'-P-C4' energy: -57.009 flat angles P-C4'-P energy: -36.083 tors. eta vs tors. theta energy: 11.830 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: 1, replica: 3 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -1418.284562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.284562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.284562 (E_RNA) where: Base-Base interactions energy: -984.148 where: short stacking energy: -404.350 Base-Backbone interact. energy: -1.368 local terms energy: -432.768805 where: bonds (distance) C4'-P energy: -95.337 bonds (distance) P-C4' energy: -74.557 flat angles C4'-P-C4' energy: -88.708 flat angles P-C4'-P energy: -61.709 tors. eta vs tors. theta energy: -112.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -1389.978520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.978520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.978520 (E_RNA) where: Base-Base interactions energy: -950.376 where: short stacking energy: -423.628 Base-Backbone interact. energy: -0.521 local terms energy: -439.080898 where: bonds (distance) C4'-P energy: -80.752 bonds (distance) P-C4' energy: -70.547 flat angles C4'-P-C4' energy: -90.118 flat angles P-C4'-P energy: -66.687 tors. eta vs tors. theta energy: -130.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -1284.487994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.487994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.487994 (E_RNA) where: Base-Base interactions energy: -871.304 where: short stacking energy: -376.988 Base-Backbone interact. energy: -0.573 local terms energy: -412.610751 where: bonds (distance) C4'-P energy: -81.337 bonds (distance) P-C4' energy: -77.140 flat angles C4'-P-C4' energy: -89.037 flat angles P-C4'-P energy: -55.299 tors. eta vs tors. theta energy: -109.798 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: 8 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -1250.105568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.105568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.105568 (E_RNA) where: Base-Base interactions energy: -839.271 where: short stacking energy: -378.181 Base-Backbone interact. energy: -0.986 local terms energy: -409.848322 where: bonds (distance) C4'-P energy: -78.447 bonds (distance) P-C4' energy: -69.915 flat angles C4'-P-C4' energy: -82.786 flat angles P-C4'-P energy: -60.176 tors. eta vs tors. theta energy: -118.525 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: 1 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -1104.504764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.504764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.504764 (E_RNA) where: Base-Base interactions energy: -745.707 where: short stacking energy: -336.026 Base-Backbone interact. energy: -1.644 local terms energy: -357.153205 where: bonds (distance) C4'-P energy: -63.309 bonds (distance) P-C4' energy: -80.487 flat angles C4'-P-C4' energy: -73.632 flat angles P-C4'-P energy: -48.640 tors. eta vs tors. theta energy: -91.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -939.193337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.193337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.193337 (E_RNA) where: Base-Base interactions energy: -598.835 where: short stacking energy: -270.866 Base-Backbone interact. energy: 2.938 local terms energy: -343.296706 where: bonds (distance) C4'-P energy: -77.375 bonds (distance) P-C4' energy: -73.975 flat angles C4'-P-C4' energy: -75.787 flat angles P-C4'-P energy: -47.933 tors. eta vs tors. theta energy: -68.226 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: 5 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -784.672994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.672994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.672994 (E_RNA) where: Base-Base interactions energy: -465.264 where: short stacking energy: -228.193 Base-Backbone interact. energy: 1.848 local terms energy: -321.257338 where: bonds (distance) C4'-P energy: -64.129 bonds (distance) P-C4' energy: -74.570 flat angles C4'-P-C4' energy: -66.110 flat angles P-C4'-P energy: -53.935 tors. eta vs tors. theta energy: -62.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -660.982115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.982115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.982115 (E_RNA) where: Base-Base interactions energy: -374.919 where: short stacking energy: -194.114 Base-Backbone interact. energy: -1.211 local terms energy: -284.852880 where: bonds (distance) C4'-P energy: -75.747 bonds (distance) P-C4' energy: -70.114 flat angles C4'-P-C4' energy: -65.841 flat angles P-C4'-P energy: -48.621 tors. eta vs tors. theta energy: -24.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -414.592373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.592373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.592373 (E_RNA) where: Base-Base interactions energy: -165.792 where: short stacking energy: -108.562 Base-Backbone interact. energy: -0.741 local terms energy: -248.058754 where: bonds (distance) C4'-P energy: -71.714 bonds (distance) P-C4' energy: -63.641 flat angles C4'-P-C4' energy: -65.797 flat angles P-C4'-P energy: -37.113 tors. eta vs tors. theta energy: -9.793 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: 453 Temperature: 1.350000 Total energy: -345.169719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.169719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.169719 (E_RNA) where: Base-Base interactions energy: -137.381 where: short stacking energy: -87.700 Base-Backbone interact. energy: 0.177 local terms energy: -207.966076 where: bonds (distance) C4'-P energy: -66.524 bonds (distance) P-C4' energy: -71.026 flat angles C4'-P-C4' energy: -50.534 flat angles P-C4'-P energy: -37.521 tors. eta vs tors. theta energy: 17.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -1438.816912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.816912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.816912 (E_RNA) where: Base-Base interactions energy: -1011.681 where: short stacking energy: -403.890 Base-Backbone interact. energy: -2.762 local terms energy: -424.374820 where: bonds (distance) C4'-P energy: -85.703 bonds (distance) P-C4' energy: -86.177 flat angles C4'-P-C4' energy: -82.249 flat angles P-C4'-P energy: -60.147 tors. eta vs tors. theta energy: -110.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -1358.873669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.873669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.873669 (E_RNA) where: Base-Base interactions energy: -927.529 where: short stacking energy: -408.674 Base-Backbone interact. energy: -1.720 local terms energy: -429.624564 where: bonds (distance) C4'-P energy: -73.255 bonds (distance) P-C4' energy: -86.227 flat angles C4'-P-C4' energy: -91.923 flat angles P-C4'-P energy: -57.758 tors. eta vs tors. theta energy: -120.461 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: 3, replica: 9 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -1270.500911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.500911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.500911 (E_RNA) where: Base-Base interactions energy: -870.156 where: short stacking energy: -373.349 Base-Backbone interact. energy: -1.457 local terms energy: -398.887561 where: bonds (distance) C4'-P energy: -75.277 bonds (distance) P-C4' energy: -81.353 flat angles C4'-P-C4' energy: -86.201 flat angles P-C4'-P energy: -50.522 tors. eta vs tors. theta energy: -105.534 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: 8 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -1234.134966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.134966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.134966 (E_RNA) where: Base-Base interactions energy: -827.584 where: short stacking energy: -358.985 Base-Backbone interact. energy: -1.759 local terms energy: -404.792316 where: bonds (distance) C4'-P energy: -77.904 bonds (distance) P-C4' energy: -78.976 flat angles C4'-P-C4' energy: -78.684 flat angles P-C4'-P energy: -57.810 tors. eta vs tors. theta energy: -111.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -1103.439447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.439447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.439447 (E_RNA) where: Base-Base interactions energy: -736.622 where: short stacking energy: -317.164 Base-Backbone interact. energy: -0.818 local terms energy: -365.998634 where: bonds (distance) C4'-P energy: -70.573 bonds (distance) P-C4' energy: -82.182 flat angles C4'-P-C4' energy: -72.852 flat angles P-C4'-P energy: -51.948 tors. eta vs tors. theta energy: -88.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -998.202244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.202244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.202244 (E_RNA) where: Base-Base interactions energy: -666.791 where: short stacking energy: -280.199 Base-Backbone interact. energy: -2.295 local terms energy: -329.116752 where: bonds (distance) C4'-P energy: -63.412 bonds (distance) P-C4' energy: -66.638 flat angles C4'-P-C4' energy: -62.047 flat angles P-C4'-P energy: -59.816 tors. eta vs tors. theta energy: -77.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -786.605695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.605695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.605695 (E_RNA) where: Base-Base interactions energy: -480.821 where: short stacking energy: -197.461 Base-Backbone interact. energy: -2.779 local terms energy: -303.006235 where: bonds (distance) C4'-P energy: -75.806 bonds (distance) P-C4' energy: -71.343 flat angles C4'-P-C4' energy: -66.635 flat angles P-C4'-P energy: -57.135 tors. eta vs tors. theta energy: -32.087 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: 2 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -654.105857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.105857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.105857 (E_RNA) where: Base-Base interactions energy: -376.027 where: short stacking energy: -188.573 Base-Backbone interact. energy: 1.484 local terms energy: -279.562777 where: bonds (distance) C4'-P energy: -61.302 bonds (distance) P-C4' energy: -63.665 flat angles C4'-P-C4' energy: -68.236 flat angles P-C4'-P energy: -46.404 tors. eta vs tors. theta energy: -39.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -358.961409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.961409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.961409 (E_RNA) where: Base-Base interactions energy: -118.278 where: short stacking energy: -103.138 Base-Backbone interact. energy: 1.672 local terms energy: -242.355641 where: bonds (distance) C4'-P energy: -70.028 bonds (distance) P-C4' energy: -81.156 flat angles C4'-P-C4' energy: -58.614 flat angles P-C4'-P energy: -29.587 tors. eta vs tors. theta energy: -2.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -324.535428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.535428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.535428 (E_RNA) where: Base-Base interactions energy: -95.865 where: short stacking energy: -69.642 Base-Backbone interact. energy: 1.711 local terms energy: -230.381157 where: bonds (distance) C4'-P energy: -63.118 bonds (distance) P-C4' energy: -74.022 flat angles C4'-P-C4' energy: -59.694 flat angles P-C4'-P energy: -52.171 tors. eta vs tors. theta energy: 18.623 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: 3 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -1426.701850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.701850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.701850 (E_RNA) where: Base-Base interactions energy: -989.281 where: short stacking energy: -412.855 Base-Backbone interact. energy: -1.380 local terms energy: -436.041358 where: bonds (distance) C4'-P energy: -72.198 bonds (distance) P-C4' energy: -86.055 flat angles C4'-P-C4' energy: -90.543 flat angles P-C4'-P energy: -67.717 tors. eta vs tors. theta energy: -119.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -1350.777871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.777871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.777871 (E_RNA) where: Base-Base interactions energy: -921.072 where: short stacking energy: -388.104 Base-Backbone interact. energy: 1.111 local terms energy: -430.816257 where: bonds (distance) C4'-P energy: -82.066 bonds (distance) P-C4' energy: -83.273 flat angles C4'-P-C4' energy: -88.138 flat angles P-C4'-P energy: -55.891 tors. eta vs tors. theta energy: -121.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -1261.698236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.698236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.698236 (E_RNA) where: Base-Base interactions energy: -867.655 where: short stacking energy: -373.652 Base-Backbone interact. energy: 2.840 local terms energy: -396.883374 where: bonds (distance) C4'-P energy: -70.792 bonds (distance) P-C4' energy: -71.809 flat angles C4'-P-C4' energy: -82.799 flat angles P-C4'-P energy: -61.829 tors. eta vs tors. theta energy: -109.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -1227.119735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.119735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.119735 (E_RNA) where: Base-Base interactions energy: -815.760 where: short stacking energy: -376.046 Base-Backbone interact. energy: 1.867 local terms energy: -413.226190 where: bonds (distance) C4'-P energy: -78.580 bonds (distance) P-C4' energy: -86.278 flat angles C4'-P-C4' energy: -73.089 flat angles P-C4'-P energy: -65.589 tors. eta vs tors. theta energy: -109.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -1083.242324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.242324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.242324 (E_RNA) where: Base-Base interactions energy: -707.979 where: short stacking energy: -322.377 Base-Backbone interact. energy: 1.190 local terms energy: -376.453249 where: bonds (distance) C4'-P energy: -76.304 bonds (distance) P-C4' energy: -76.584 flat angles C4'-P-C4' energy: -71.758 flat angles P-C4'-P energy: -57.795 tors. eta vs tors. theta energy: -94.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -959.344833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.344833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.344833 (E_RNA) where: Base-Base interactions energy: -625.313 where: short stacking energy: -276.339 Base-Backbone interact. energy: -1.007 local terms energy: -333.024480 where: bonds (distance) C4'-P energy: -62.640 bonds (distance) P-C4' energy: -72.124 flat angles C4'-P-C4' energy: -78.325 flat angles P-C4'-P energy: -47.475 tors. eta vs tors. theta energy: -72.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -811.664381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.664381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.664381 (E_RNA) where: Base-Base interactions energy: -512.877 where: short stacking energy: -251.256 Base-Backbone interact. energy: 0.404 local terms energy: -299.191682 where: bonds (distance) C4'-P energy: -77.276 bonds (distance) P-C4' energy: -66.025 flat angles C4'-P-C4' energy: -56.685 flat angles P-C4'-P energy: -34.917 tors. eta vs tors. theta energy: -64.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -662.643334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.643334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.643334 (E_RNA) where: Base-Base interactions energy: -380.971 where: short stacking energy: -174.643 Base-Backbone interact. energy: -1.016 local terms energy: -280.655709 where: bonds (distance) C4'-P energy: -80.163 bonds (distance) P-C4' energy: -70.039 flat angles C4'-P-C4' energy: -69.742 flat angles P-C4'-P energy: -41.714 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: 9, replica: 4 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -377.374298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.374298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.374298 (E_RNA) where: Base-Base interactions energy: -162.157 where: short stacking energy: -116.835 Base-Backbone interact. energy: -0.046 local terms energy: -215.171736 where: bonds (distance) C4'-P energy: -41.674 bonds (distance) P-C4' energy: -71.520 flat angles C4'-P-C4' energy: -75.682 flat angles P-C4'-P energy: -32.395 tors. eta vs tors. theta energy: 6.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -315.025354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.025354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.025354 (E_RNA) where: Base-Base interactions energy: -107.448 where: short stacking energy: -102.153 Base-Backbone interact. energy: -1.321 local terms energy: -206.256110 where: bonds (distance) C4'-P energy: -70.265 bonds (distance) P-C4' energy: -58.090 flat angles C4'-P-C4' energy: -51.320 flat angles P-C4'-P energy: -40.437 tors. eta vs tors. theta energy: 13.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -1406.299382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.299382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.299382 (E_RNA) where: Base-Base interactions energy: -971.903 where: short stacking energy: -397.220 Base-Backbone interact. energy: -2.770 local terms energy: -431.626889 where: bonds (distance) C4'-P energy: -87.594 bonds (distance) P-C4' energy: -82.295 flat angles C4'-P-C4' energy: -85.865 flat angles P-C4'-P energy: -56.959 tors. eta vs tors. theta energy: -118.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -1365.995468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.995468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.995468 (E_RNA) where: Base-Base interactions energy: -916.076 where: short stacking energy: -395.749 Base-Backbone interact. energy: -0.002 local terms energy: -449.918039 where: bonds (distance) C4'-P energy: -80.176 bonds (distance) P-C4' energy: -78.649 flat angles C4'-P-C4' energy: -99.429 flat angles P-C4'-P energy: -63.193 tors. eta vs tors. theta energy: -128.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -1270.383783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.383783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.383783 (E_RNA) where: Base-Base interactions energy: -857.591 where: short stacking energy: -369.494 Base-Backbone interact. energy: -2.003 local terms energy: -410.790023 where: bonds (distance) C4'-P energy: -75.606 bonds (distance) P-C4' energy: -91.403 flat angles C4'-P-C4' energy: -89.324 flat angles P-C4'-P energy: -52.609 tors. eta vs tors. theta energy: -101.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -1223.043389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.043389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.043389 (E_RNA) where: Base-Base interactions energy: -814.116 where: short stacking energy: -352.580 Base-Backbone interact. energy: -0.632 local terms energy: -408.294668 where: bonds (distance) C4'-P energy: -81.955 bonds (distance) P-C4' energy: -73.241 flat angles C4'-P-C4' energy: -90.845 flat angles P-C4'-P energy: -46.650 tors. eta vs tors. theta energy: -115.604 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: 1 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -1108.872595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.872595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.872595 (E_RNA) where: Base-Base interactions energy: -751.604 where: short stacking energy: -346.993 Base-Backbone interact. energy: -1.365 local terms energy: -355.904161 where: bonds (distance) C4'-P energy: -63.198 bonds (distance) P-C4' energy: -69.554 flat angles C4'-P-C4' energy: -77.533 flat angles P-C4'-P energy: -47.135 tors. eta vs tors. theta energy: -98.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -922.274582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.274582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.274582 (E_RNA) where: Base-Base interactions energy: -592.893 where: short stacking energy: -277.287 Base-Backbone interact. energy: -1.502 local terms energy: -327.879706 where: bonds (distance) C4'-P energy: -69.940 bonds (distance) P-C4' energy: -77.240 flat angles C4'-P-C4' energy: -74.123 flat angles P-C4'-P energy: -39.353 tors. eta vs tors. theta energy: -67.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -784.345558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.345558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.345558 (E_RNA) where: Base-Base interactions energy: -482.600 where: short stacking energy: -223.473 Base-Backbone interact. energy: 0.813 local terms energy: -302.558277 where: bonds (distance) C4'-P energy: -55.108 bonds (distance) P-C4' energy: -67.419 flat angles C4'-P-C4' energy: -84.352 flat angles P-C4'-P energy: -43.310 tors. eta vs tors. theta energy: -52.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -645.650125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.650125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.650125 (E_RNA) where: Base-Base interactions energy: -371.433 where: short stacking energy: -195.960 Base-Backbone interact. energy: -1.216 local terms energy: -273.001405 where: bonds (distance) C4'-P energy: -70.309 bonds (distance) P-C4' energy: -57.448 flat angles C4'-P-C4' energy: -77.446 flat angles P-C4'-P energy: -36.429 tors. eta vs tors. theta energy: -31.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -352.689696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.689696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.689696 (E_RNA) where: Base-Base interactions energy: -120.792 where: short stacking energy: -100.326 Base-Backbone interact. energy: -0.586 local terms energy: -231.312127 where: bonds (distance) C4'-P energy: -65.636 bonds (distance) P-C4' energy: -74.582 flat angles C4'-P-C4' energy: -60.615 flat angles P-C4'-P energy: -45.151 tors. eta vs tors. theta energy: 14.672 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: 4 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -351.528683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.528683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.528683 (E_RNA) where: Base-Base interactions energy: -110.092 where: short stacking energy: -92.078 Base-Backbone interact. energy: -1.652 local terms energy: -239.784693 where: bonds (distance) C4'-P energy: -75.109 bonds (distance) P-C4' energy: -70.889 flat angles C4'-P-C4' energy: -65.559 flat angles P-C4'-P energy: -32.681 tors. eta vs tors. theta energy: 4.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -1424.389335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.389335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.389335 (E_RNA) where: Base-Base interactions energy: -1003.092 where: short stacking energy: -411.040 Base-Backbone interact. energy: -2.527 local terms energy: -418.769942 where: bonds (distance) C4'-P energy: -76.005 bonds (distance) P-C4' energy: -76.256 flat angles C4'-P-C4' energy: -90.010 flat angles P-C4'-P energy: -60.412 tors. eta vs tors. theta energy: -116.088 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: 7 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -1350.673811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.673811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.673811 (E_RNA) where: Base-Base interactions energy: -903.440 where: short stacking energy: -409.567 Base-Backbone interact. energy: -0.260 local terms energy: -446.974024 where: bonds (distance) C4'-P energy: -79.780 bonds (distance) P-C4' energy: -77.634 flat angles C4'-P-C4' energy: -90.142 flat angles P-C4'-P energy: -64.152 tors. eta vs tors. theta energy: -135.266 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: 9 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -1274.805258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.805258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.805258 (E_RNA) where: Base-Base interactions energy: -876.254 where: short stacking energy: -381.113 Base-Backbone interact. energy: -0.664 local terms energy: -397.887643 where: bonds (distance) C4'-P energy: -74.229 bonds (distance) P-C4' energy: -77.040 flat angles C4'-P-C4' energy: -80.627 flat angles P-C4'-P energy: -58.050 tors. eta vs tors. theta energy: -107.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -1264.125118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.125118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.125118 (E_RNA) where: Base-Base interactions energy: -862.999 where: short stacking energy: -382.662 Base-Backbone interact. energy: 0.147 local terms energy: -401.273284 where: bonds (distance) C4'-P energy: -70.804 bonds (distance) P-C4' energy: -75.837 flat angles C4'-P-C4' energy: -82.047 flat angles P-C4'-P energy: -56.844 tors. eta vs tors. theta energy: -115.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -1104.473319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.473319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.473319 (E_RNA) where: Base-Base interactions energy: -724.647 where: short stacking energy: -323.583 Base-Backbone interact. energy: -1.676 local terms energy: -378.150307 where: bonds (distance) C4'-P energy: -80.072 bonds (distance) P-C4' energy: -69.981 flat angles C4'-P-C4' energy: -83.060 flat angles P-C4'-P energy: -57.827 tors. eta vs tors. theta energy: -87.211 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: 6 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -910.239100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.239100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.239100 (E_RNA) where: Base-Base interactions energy: -557.103 where: short stacking energy: -249.140 Base-Backbone interact. energy: 1.197 local terms energy: -354.333380 where: bonds (distance) C4'-P energy: -70.703 bonds (distance) P-C4' energy: -75.641 flat angles C4'-P-C4' energy: -89.606 flat angles P-C4'-P energy: -57.156 tors. eta vs tors. theta energy: -61.227 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: 5 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -773.076119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.076119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.076119 (E_RNA) where: Base-Base interactions energy: -475.909 where: short stacking energy: -223.059 Base-Backbone interact. energy: -0.816 local terms energy: -296.351340 where: bonds (distance) C4'-P energy: -68.644 bonds (distance) P-C4' energy: -65.171 flat angles C4'-P-C4' energy: -69.637 flat angles P-C4'-P energy: -45.347 tors. eta vs tors. theta energy: -47.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -617.686124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.686124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.686124 (E_RNA) where: Base-Base interactions energy: -350.952 where: short stacking energy: -178.490 Base-Backbone interact. energy: 2.001 local terms energy: -268.734702 where: bonds (distance) C4'-P energy: -73.652 bonds (distance) P-C4' energy: -68.296 flat angles C4'-P-C4' energy: -57.990 flat angles P-C4'-P energy: -47.945 tors. eta vs tors. theta energy: -20.851 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: 9, replica: 10 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -358.000713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.000713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.000713 (E_RNA) where: Base-Base interactions energy: -130.656 where: short stacking energy: -119.692 Base-Backbone interact. energy: -0.540 local terms energy: -226.804281 where: bonds (distance) C4'-P energy: -74.829 bonds (distance) P-C4' energy: -65.094 flat angles C4'-P-C4' energy: -43.565 flat angles P-C4'-P energy: -49.518 tors. eta vs tors. theta energy: 6.202 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: 4 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -312.973677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.973677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.973677 (E_RNA) where: Base-Base interactions energy: -103.878 where: short stacking energy: -80.279 Base-Backbone interact. energy: -3.303 local terms energy: -205.792666 where: bonds (distance) C4'-P energy: -69.301 bonds (distance) P-C4' energy: -64.951 flat angles C4'-P-C4' energy: -54.003 flat angles P-C4'-P energy: -38.348 tors. eta vs tors. theta energy: 20.811 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: 3 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -1425.353442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.353442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.353442 (E_RNA) where: Base-Base interactions energy: -1018.595 where: short stacking energy: -418.444 Base-Backbone interact. energy: -3.546 local terms energy: -403.212602 where: bonds (distance) C4'-P energy: -67.933 bonds (distance) P-C4' energy: -72.957 flat angles C4'-P-C4' energy: -87.666 flat angles P-C4'-P energy: -63.606 tors. eta vs tors. theta energy: -111.050 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: 7 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -1344.836448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.836448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.836448 (E_RNA) where: Base-Base interactions energy: -904.401 where: short stacking energy: -382.376 Base-Backbone interact. energy: 0.718 local terms energy: -441.152900 where: bonds (distance) C4'-P energy: -80.988 bonds (distance) P-C4' energy: -79.089 flat angles C4'-P-C4' energy: -94.035 flat angles P-C4'-P energy: -68.643 tors. eta vs tors. theta energy: -118.399 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: 9 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -1304.230995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.230995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.230995 (E_RNA) where: Base-Base interactions energy: -899.681 where: short stacking energy: -389.946 Base-Backbone interact. energy: 0.218 local terms energy: -404.767985 where: bonds (distance) C4'-P energy: -75.776 bonds (distance) P-C4' energy: -72.159 flat angles C4'-P-C4' energy: -82.811 flat angles P-C4'-P energy: -53.282 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: 4, replica: 8 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -1252.049608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.049608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.049608 (E_RNA) where: Base-Base interactions energy: -864.857 where: short stacking energy: -400.294 Base-Backbone interact. energy: 0.636 local terms energy: -387.827872 where: bonds (distance) C4'-P energy: -74.258 bonds (distance) P-C4' energy: -70.407 flat angles C4'-P-C4' energy: -80.678 flat angles P-C4'-P energy: -48.628 tors. eta vs tors. theta energy: -113.857 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: 1 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -1072.197622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.197622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.197622 (E_RNA) where: Base-Base interactions energy: -701.835 where: short stacking energy: -320.952 Base-Backbone interact. energy: -1.798 local terms energy: -368.564729 where: bonds (distance) C4'-P energy: -71.223 bonds (distance) P-C4' energy: -79.854 flat angles C4'-P-C4' energy: -86.263 flat angles P-C4'-P energy: -51.237 tors. eta vs tors. theta energy: -79.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -973.317251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.317251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.317251 (E_RNA) where: Base-Base interactions energy: -618.416 where: short stacking energy: -259.189 Base-Backbone interact. energy: -2.129 local terms energy: -352.771625 where: bonds (distance) C4'-P energy: -80.462 bonds (distance) P-C4' energy: -61.947 flat angles C4'-P-C4' energy: -83.596 flat angles P-C4'-P energy: -57.536 tors. eta vs tors. theta energy: -69.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -737.674056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.674056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.674056 (E_RNA) where: Base-Base interactions energy: -432.055 where: short stacking energy: -203.082 Base-Backbone interact. energy: -2.681 local terms energy: -302.938328 where: bonds (distance) C4'-P energy: -72.511 bonds (distance) P-C4' energy: -73.784 flat angles C4'-P-C4' energy: -68.301 flat angles P-C4'-P energy: -47.166 tors. eta vs tors. theta energy: -41.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -663.117639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.117639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.117639 (E_RNA) where: Base-Base interactions energy: -359.914 where: short stacking energy: -172.849 Base-Backbone interact. energy: 0.025 local terms energy: -303.229115 where: bonds (distance) C4'-P energy: -71.868 bonds (distance) P-C4' energy: -80.126 flat angles C4'-P-C4' energy: -80.009 flat angles P-C4'-P energy: -37.889 tors. eta vs tors. theta energy: -33.337 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: 4 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -349.464619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.464619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.464619 (E_RNA) where: Base-Base interactions energy: -118.363 where: short stacking energy: -106.631 Base-Backbone interact. energy: -0.473 local terms energy: -230.627734 where: bonds (distance) C4'-P energy: -69.427 bonds (distance) P-C4' energy: -74.648 flat angles C4'-P-C4' energy: -52.854 flat angles P-C4'-P energy: -34.980 tors. eta vs tors. theta energy: 1.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -330.866096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.866096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.866096 (E_RNA) where: Base-Base interactions energy: -131.597 where: short stacking energy: -100.477 Base-Backbone interact. energy: 0.660 local terms energy: -199.929804 where: bonds (distance) C4'-P energy: -66.193 bonds (distance) P-C4' energy: -71.713 flat angles C4'-P-C4' energy: -50.532 flat angles P-C4'-P energy: -21.029 tors. eta vs tors. theta energy: 9.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -1393.645249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.645249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.645249 (E_RNA) where: Base-Base interactions energy: -991.866 where: short stacking energy: -409.592 Base-Backbone interact. energy: -4.447 local terms energy: -397.332287 where: bonds (distance) C4'-P energy: -63.289 bonds (distance) P-C4' energy: -77.967 flat angles C4'-P-C4' energy: -87.978 flat angles P-C4'-P energy: -59.138 tors. eta vs tors. theta energy: -108.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -1353.280519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.280519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.280519 (E_RNA) where: Base-Base interactions energy: -935.446 where: short stacking energy: -401.427 Base-Backbone interact. energy: -1.361 local terms energy: -416.473365 where: bonds (distance) C4'-P energy: -71.985 bonds (distance) P-C4' energy: -81.636 flat angles C4'-P-C4' energy: -88.457 flat angles P-C4'-P energy: -58.970 tors. eta vs tors. theta energy: -115.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -1290.732199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.732199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.732199 (E_RNA) where: Base-Base interactions energy: -878.093 where: short stacking energy: -376.463 Base-Backbone interact. energy: -1.485 local terms energy: -411.153950 where: bonds (distance) C4'-P energy: -84.265 bonds (distance) P-C4' energy: -79.581 flat angles C4'-P-C4' energy: -84.503 flat angles P-C4'-P energy: -51.573 tors. eta vs tors. theta energy: -111.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -1279.525076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.525076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.525076 (E_RNA) where: Base-Base interactions energy: -848.235 where: short stacking energy: -362.663 Base-Backbone interact. energy: -0.717 local terms energy: -430.573362 where: bonds (distance) C4'-P energy: -78.987 bonds (distance) P-C4' energy: -89.755 flat angles C4'-P-C4' energy: -91.903 flat angles P-C4'-P energy: -51.452 tors. eta vs tors. theta energy: -118.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -1121.697365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.697365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.697365 (E_RNA) where: Base-Base interactions energy: -748.208 where: short stacking energy: -344.949 Base-Backbone interact. energy: -0.337 local terms energy: -373.152346 where: bonds (distance) C4'-P energy: -70.203 bonds (distance) P-C4' energy: -66.367 flat angles C4'-P-C4' energy: -82.983 flat angles P-C4'-P energy: -44.301 tors. eta vs tors. theta energy: -109.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -971.150834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.150834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.150834 (E_RNA) where: Base-Base interactions energy: -646.795 where: short stacking energy: -292.011 Base-Backbone interact. energy: -1.005 local terms energy: -323.351278 where: bonds (distance) C4'-P energy: -56.988 bonds (distance) P-C4' energy: -72.898 flat angles C4'-P-C4' energy: -69.781 flat angles P-C4'-P energy: -45.445 tors. eta vs tors. theta energy: -78.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -752.779550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.779550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.779550 (E_RNA) where: Base-Base interactions energy: -424.024 where: short stacking energy: -181.826 Base-Backbone interact. energy: 0.408 local terms energy: -329.163173 where: bonds (distance) C4'-P energy: -62.431 bonds (distance) P-C4' energy: -79.728 flat angles C4'-P-C4' energy: -78.582 flat angles P-C4'-P energy: -60.151 tors. eta vs tors. theta energy: -48.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -667.285868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.285868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.285868 (E_RNA) where: Base-Base interactions energy: -379.511 where: short stacking energy: -190.618 Base-Backbone interact. energy: -1.302 local terms energy: -286.472136 where: bonds (distance) C4'-P energy: -69.907 bonds (distance) P-C4' energy: -67.143 flat angles C4'-P-C4' energy: -68.226 flat angles P-C4'-P energy: -52.692 tors. eta vs tors. theta energy: -28.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -379.543705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.543705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.543705 (E_RNA) where: Base-Base interactions energy: -136.650 where: short stacking energy: -120.527 Base-Backbone interact. energy: -2.005 local terms energy: -240.889068 where: bonds (distance) C4'-P energy: -65.854 bonds (distance) P-C4' energy: -74.656 flat angles C4'-P-C4' energy: -58.873 flat angles P-C4'-P energy: -43.619 tors. eta vs tors. theta energy: 2.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -331.856614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.856614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.856614 (E_RNA) where: Base-Base interactions energy: -111.153 where: short stacking energy: -106.786 Base-Backbone interact. energy: -0.022 local terms energy: -220.682426 where: bonds (distance) C4'-P energy: -60.610 bonds (distance) P-C4' energy: -73.303 flat angles C4'-P-C4' energy: -60.313 flat angles P-C4'-P energy: -37.897 tors. eta vs tors. theta energy: 11.441 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: 460 Temperature: 0.900000 Total energy: -1389.688749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.688749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.688749 (E_RNA) where: Base-Base interactions energy: -966.667 where: short stacking energy: -391.041 Base-Backbone interact. energy: 5.109 local terms energy: -428.130703 where: bonds (distance) C4'-P energy: -72.648 bonds (distance) P-C4' energy: -79.774 flat angles C4'-P-C4' energy: -93.974 flat angles P-C4'-P energy: -68.467 tors. eta vs tors. theta energy: -113.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -1361.707183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.707183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.707183 (E_RNA) where: Base-Base interactions energy: -926.483 where: short stacking energy: -420.666 Base-Backbone interact. energy: -1.030 local terms energy: -434.194599 where: bonds (distance) C4'-P energy: -78.139 bonds (distance) P-C4' energy: -77.302 flat angles C4'-P-C4' energy: -89.956 flat angles P-C4'-P energy: -64.012 tors. eta vs tors. theta energy: -124.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -1291.969785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.969785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.969785 (E_RNA) where: Base-Base interactions energy: -866.845 where: short stacking energy: -386.426 Base-Backbone interact. energy: -0.119 local terms energy: -425.005824 where: bonds (distance) C4'-P energy: -73.563 bonds (distance) P-C4' energy: -74.078 flat angles C4'-P-C4' energy: -84.305 flat angles P-C4'-P energy: -68.124 tors. eta vs tors. theta energy: -124.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -1244.901643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.901643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.901643 (E_RNA) where: Base-Base interactions energy: -865.302 where: short stacking energy: -361.047 Base-Backbone interact. energy: 0.235 local terms energy: -379.834193 where: bonds (distance) C4'-P energy: -72.638 bonds (distance) P-C4' energy: -75.143 flat angles C4'-P-C4' energy: -76.205 flat angles P-C4'-P energy: -44.481 tors. eta vs tors. theta energy: -111.366 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: 5, replica: 1 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -1220.623664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.623664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.623664 (E_RNA) where: Base-Base interactions energy: -818.430 where: short stacking energy: -371.725 Base-Backbone interact. energy: -0.841 local terms energy: -401.352750 where: bonds (distance) C4'-P energy: -65.101 bonds (distance) P-C4' energy: -78.243 flat angles C4'-P-C4' energy: -92.100 flat angles P-C4'-P energy: -60.224 tors. eta vs tors. theta energy: -105.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -990.507799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.507799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.507799 (E_RNA) where: Base-Base interactions energy: -636.479 where: short stacking energy: -275.596 Base-Backbone interact. energy: -1.251 local terms energy: -352.777881 where: bonds (distance) C4'-P energy: -71.420 bonds (distance) P-C4' energy: -85.997 flat angles C4'-P-C4' energy: -72.981 flat angles P-C4'-P energy: -48.569 tors. eta vs tors. theta energy: -73.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -765.006871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.006871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.006871 (E_RNA) where: Base-Base interactions energy: -465.221 where: short stacking energy: -200.790 Base-Backbone interact. energy: 0.536 local terms energy: -300.321973 where: bonds (distance) C4'-P energy: -78.550 bonds (distance) P-C4' energy: -83.336 flat angles C4'-P-C4' energy: -66.724 flat angles P-C4'-P energy: -41.278 tors. eta vs tors. theta energy: -30.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -665.147982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.147982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.147982 (E_RNA) where: Base-Base interactions energy: -372.786 where: short stacking energy: -191.667 Base-Backbone interact. energy: -0.144 local terms energy: -292.218972 where: bonds (distance) C4'-P energy: -65.750 bonds (distance) P-C4' energy: -75.153 flat angles C4'-P-C4' energy: -79.827 flat angles P-C4'-P energy: -38.571 tors. eta vs tors. theta energy: -32.917 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: 9, replica: 4 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -366.411623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.411623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.411623 (E_RNA) where: Base-Base interactions energy: -110.741 where: short stacking energy: -90.961 Base-Backbone interact. energy: -0.409 local terms energy: -255.261945 where: bonds (distance) C4'-P energy: -72.160 bonds (distance) P-C4' energy: -81.947 flat angles C4'-P-C4' energy: -75.710 flat angles P-C4'-P energy: -34.529 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: 10, replica: 10 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -342.010936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.010936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.010936 (E_RNA) where: Base-Base interactions energy: -119.258 where: short stacking energy: -91.999 Base-Backbone interact. energy: 1.246 local terms energy: -223.998796 where: bonds (distance) C4'-P energy: -65.526 bonds (distance) P-C4' energy: -63.315 flat angles C4'-P-C4' energy: -60.109 flat angles P-C4'-P energy: -43.680 tors. eta vs tors. theta energy: 8.631 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: 3 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -1369.504954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.504954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.504954 (E_RNA) where: Base-Base interactions energy: -952.419 where: short stacking energy: -391.829 Base-Backbone interact. energy: -2.404 local terms energy: -414.681354 where: bonds (distance) C4'-P energy: -76.592 bonds (distance) P-C4' energy: -75.764 flat angles C4'-P-C4' energy: -93.310 flat angles P-C4'-P energy: -61.604 tors. eta vs tors. theta energy: -107.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -1378.427983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.427983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.427983 (E_RNA) where: Base-Base interactions energy: -934.971 where: short stacking energy: -395.823 Base-Backbone interact. energy: -0.989 local terms energy: -442.468472 where: bonds (distance) C4'-P energy: -81.392 bonds (distance) P-C4' energy: -79.224 flat angles C4'-P-C4' energy: -92.458 flat angles P-C4'-P energy: -72.168 tors. eta vs tors. theta energy: -117.226 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: 3, replica: 8 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -1293.992947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.992947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.992947 (E_RNA) where: Base-Base interactions energy: -852.593 where: short stacking energy: -390.690 Base-Backbone interact. energy: -0.098 local terms energy: -441.301400 where: bonds (distance) C4'-P energy: -80.342 bonds (distance) P-C4' energy: -79.314 flat angles C4'-P-C4' energy: -96.843 flat angles P-C4'-P energy: -55.476 tors. eta vs tors. theta energy: -129.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -1238.788450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.788450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.788450 (E_RNA) where: Base-Base interactions energy: -848.139 where: short stacking energy: -333.546 Base-Backbone interact. energy: 1.289 local terms energy: -391.938459 where: bonds (distance) C4'-P energy: -73.307 bonds (distance) P-C4' energy: -74.608 flat angles C4'-P-C4' energy: -82.046 flat angles P-C4'-P energy: -62.007 tors. eta vs tors. theta energy: -99.970 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: 1 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -1186.833555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.833555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.833555 (E_RNA) where: Base-Base interactions energy: -805.820 where: short stacking energy: -339.447 Base-Backbone interact. energy: 0.357 local terms energy: -381.370295 where: bonds (distance) C4'-P energy: -65.903 bonds (distance) P-C4' energy: -69.938 flat angles C4'-P-C4' energy: -80.853 flat angles P-C4'-P energy: -63.684 tors. eta vs tors. theta energy: -100.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -946.924742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.924742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.924742 (E_RNA) where: Base-Base interactions energy: -618.487 where: short stacking energy: -266.012 Base-Backbone interact. energy: 2.861 local terms energy: -331.298260 where: bonds (distance) C4'-P energy: -67.878 bonds (distance) P-C4' energy: -72.514 flat angles C4'-P-C4' energy: -79.509 flat angles P-C4'-P energy: -46.652 tors. eta vs tors. theta energy: -64.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -783.937340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.937340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.937340 (E_RNA) where: Base-Base interactions energy: -483.403 where: short stacking energy: -215.044 Base-Backbone interact. energy: -2.889 local terms energy: -297.645591 where: bonds (distance) C4'-P energy: -76.166 bonds (distance) P-C4' energy: -67.497 flat angles C4'-P-C4' energy: -61.290 flat angles P-C4'-P energy: -42.798 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: 8, replica: 2 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -648.861225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.861225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.861225 (E_RNA) where: Base-Base interactions energy: -361.189 where: short stacking energy: -190.818 Base-Backbone interact. energy: 0.566 local terms energy: -288.239203 where: bonds (distance) C4'-P energy: -55.658 bonds (distance) P-C4' energy: -72.787 flat angles C4'-P-C4' energy: -69.989 flat angles P-C4'-P energy: -51.927 tors. eta vs tors. theta energy: -37.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -397.943793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.943793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.943793 (E_RNA) where: Base-Base interactions energy: -168.324 where: short stacking energy: -128.857 Base-Backbone interact. energy: -2.117 local terms energy: -227.503226 where: bonds (distance) C4'-P energy: -71.749 bonds (distance) P-C4' energy: -55.963 flat angles C4'-P-C4' energy: -53.526 flat angles P-C4'-P energy: -43.419 tors. eta vs tors. theta energy: -2.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -347.654070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.654070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.654070 (E_RNA) where: Base-Base interactions energy: -141.740 where: short stacking energy: -129.359 Base-Backbone interact. energy: 4.148 local terms energy: -210.061865 where: bonds (distance) C4'-P energy: -55.340 bonds (distance) P-C4' energy: -61.837 flat angles C4'-P-C4' energy: -59.997 flat angles P-C4'-P energy: -32.321 tors. eta vs tors. theta energy: -0.567 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: 462 Temperature: 0.900000 Total energy: -1369.384835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.384835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.384835 (E_RNA) where: Base-Base interactions energy: -926.073 where: short stacking energy: -371.348 Base-Backbone interact. energy: -2.184 local terms energy: -441.127605 where: bonds (distance) C4'-P energy: -82.576 bonds (distance) P-C4' energy: -78.494 flat angles C4'-P-C4' energy: -97.012 flat angles P-C4'-P energy: -63.622 tors. eta vs tors. theta energy: -119.424 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: 2, replica: 3 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -1363.729514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.729514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.729514 (E_RNA) where: Base-Base interactions energy: -950.231 where: short stacking energy: -398.311 Base-Backbone interact. energy: -0.463 local terms energy: -413.036146 where: bonds (distance) C4'-P energy: -74.862 bonds (distance) P-C4' energy: -69.589 flat angles C4'-P-C4' energy: -89.259 flat angles P-C4'-P energy: -64.480 tors. eta vs tors. theta energy: -114.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -1294.354815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.354815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.354815 (E_RNA) where: Base-Base interactions energy: -875.193 where: short stacking energy: -380.623 Base-Backbone interact. energy: -0.500 local terms energy: -418.662292 where: bonds (distance) C4'-P energy: -74.242 bonds (distance) P-C4' energy: -75.917 flat angles C4'-P-C4' energy: -80.840 flat angles P-C4'-P energy: -60.848 tors. eta vs tors. theta energy: -126.816 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: 9 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -1253.790083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.790083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.790083 (E_RNA) where: Base-Base interactions energy: -847.349 where: short stacking energy: -343.917 Base-Backbone interact. energy: -0.329 local terms energy: -406.112192 where: bonds (distance) C4'-P energy: -79.882 bonds (distance) P-C4' energy: -77.491 flat angles C4'-P-C4' energy: -81.230 flat angles P-C4'-P energy: -64.262 tors. eta vs tors. theta energy: -103.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -1134.878786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.878786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.878786 (E_RNA) where: Base-Base interactions energy: -770.847 where: short stacking energy: -337.616 Base-Backbone interact. energy: -1.310 local terms energy: -362.721613 where: bonds (distance) C4'-P energy: -71.731 bonds (distance) P-C4' energy: -75.591 flat angles C4'-P-C4' energy: -73.329 flat angles P-C4'-P energy: -49.140 tors. eta vs tors. theta energy: -92.931 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: 6, replica: 6 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -1008.750445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.750445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.750445 (E_RNA) where: Base-Base interactions energy: -660.204 where: short stacking energy: -302.942 Base-Backbone interact. energy: -0.735 local terms energy: -347.811579 where: bonds (distance) C4'-P energy: -74.486 bonds (distance) P-C4' energy: -74.699 flat angles C4'-P-C4' energy: -79.343 flat angles P-C4'-P energy: -44.261 tors. eta vs tors. theta energy: -75.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -811.686230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.686230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.686230 (E_RNA) where: Base-Base interactions energy: -496.452 where: short stacking energy: -226.063 Base-Backbone interact. energy: -1.153 local terms energy: -314.080567 where: bonds (distance) C4'-P energy: -61.442 bonds (distance) P-C4' energy: -71.699 flat angles C4'-P-C4' energy: -77.573 flat angles P-C4'-P energy: -54.927 tors. eta vs tors. theta energy: -48.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -588.219084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.219084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.219084 (E_RNA) where: Base-Base interactions energy: -312.601 where: short stacking energy: -149.568 Base-Backbone interact. energy: -1.398 local terms energy: -274.219793 where: bonds (distance) C4'-P energy: -63.104 bonds (distance) P-C4' energy: -72.888 flat angles C4'-P-C4' energy: -70.335 flat angles P-C4'-P energy: -46.210 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: 9, replica: 4 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -369.561631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.561631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.561631 (E_RNA) where: Base-Base interactions energy: -142.274 where: short stacking energy: -112.798 Base-Backbone interact. energy: -1.910 local terms energy: -225.377901 where: bonds (distance) C4'-P energy: -71.266 bonds (distance) P-C4' energy: -61.048 flat angles C4'-P-C4' energy: -49.340 flat angles P-C4'-P energy: -36.467 tors. eta vs tors. theta energy: -7.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -314.898605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.898605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.898605 (E_RNA) where: Base-Base interactions energy: -104.186 where: short stacking energy: -93.472 Base-Backbone interact. energy: -0.973 local terms energy: -209.739918 where: bonds (distance) C4'-P energy: -74.847 bonds (distance) P-C4' energy: -78.299 flat angles C4'-P-C4' energy: -38.136 flat angles P-C4'-P energy: -36.529 tors. eta vs tors. theta energy: 18.070 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: 7 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -1365.527957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.527957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.527957 (E_RNA) where: Base-Base interactions energy: -932.574 where: short stacking energy: -397.261 Base-Backbone interact. energy: -2.425 local terms energy: -430.528948 where: bonds (distance) C4'-P energy: -79.945 bonds (distance) P-C4' energy: -79.772 flat angles C4'-P-C4' energy: -95.706 flat angles P-C4'-P energy: -57.747 tors. eta vs tors. theta energy: -117.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -1360.534189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.534189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.534189 (E_RNA) where: Base-Base interactions energy: -939.704 where: short stacking energy: -388.796 Base-Backbone interact. energy: -3.845 local terms energy: -416.985401 where: bonds (distance) C4'-P energy: -77.587 bonds (distance) P-C4' energy: -83.027 flat angles C4'-P-C4' energy: -87.130 flat angles P-C4'-P energy: -62.418 tors. eta vs tors. theta energy: -106.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -1272.601078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.601078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.601078 (E_RNA) where: Base-Base interactions energy: -863.423 where: short stacking energy: -370.902 Base-Backbone interact. energy: -0.357 local terms energy: -408.821206 where: bonds (distance) C4'-P energy: -72.660 bonds (distance) P-C4' energy: -85.727 flat angles C4'-P-C4' energy: -85.384 flat angles P-C4'-P energy: -49.345 tors. eta vs tors. theta energy: -115.705 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: 9 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -1238.764273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.764273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.764273 (E_RNA) where: Base-Base interactions energy: -834.980 where: short stacking energy: -344.433 Base-Backbone interact. energy: -0.940 local terms energy: -402.844160 where: bonds (distance) C4'-P energy: -76.856 bonds (distance) P-C4' energy: -85.062 flat angles C4'-P-C4' energy: -81.022 flat angles P-C4'-P energy: -57.774 tors. eta vs tors. theta energy: -102.131 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: 1 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -1110.869663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.869663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.869663 (E_RNA) where: Base-Base interactions energy: -725.725 where: short stacking energy: -319.545 Base-Backbone interact. energy: -0.117 local terms energy: -385.027167 where: bonds (distance) C4'-P energy: -79.909 bonds (distance) P-C4' energy: -78.295 flat angles C4'-P-C4' energy: -82.662 flat angles P-C4'-P energy: -49.052 tors. eta vs tors. theta energy: -95.110 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: 6 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -967.700519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.700519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.700519 (E_RNA) where: Base-Base interactions energy: -624.748 where: short stacking energy: -280.989 Base-Backbone interact. energy: -0.783 local terms energy: -342.169645 where: bonds (distance) C4'-P energy: -77.079 bonds (distance) P-C4' energy: -72.839 flat angles C4'-P-C4' energy: -82.544 flat angles P-C4'-P energy: -40.011 tors. eta vs tors. theta energy: -69.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -827.344799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.344799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.344799 (E_RNA) where: Base-Base interactions energy: -521.935 where: short stacking energy: -231.329 Base-Backbone interact. energy: 3.717 local terms energy: -309.127461 where: bonds (distance) C4'-P energy: -66.849 bonds (distance) P-C4' energy: -69.408 flat angles C4'-P-C4' energy: -76.433 flat angles P-C4'-P energy: -52.376 tors. eta vs tors. theta energy: -44.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -582.269085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.269085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.269085 (E_RNA) where: Base-Base interactions energy: -315.106 where: short stacking energy: -151.816 Base-Backbone interact. energy: 0.615 local terms energy: -267.778130 where: bonds (distance) C4'-P energy: -72.887 bonds (distance) P-C4' energy: -66.480 flat angles C4'-P-C4' energy: -74.715 flat angles P-C4'-P energy: -31.823 tors. eta vs tors. theta energy: -21.874 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: 4 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -434.710627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.710627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.710627 (E_RNA) where: Base-Base interactions energy: -212.935 where: short stacking energy: -92.121 Base-Backbone interact. energy: -2.215 local terms energy: -219.560803 where: bonds (distance) C4'-P energy: -74.138 bonds (distance) P-C4' energy: -65.778 flat angles C4'-P-C4' energy: -56.633 flat angles P-C4'-P energy: -31.564 tors. eta vs tors. theta energy: 8.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -327.268500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.268500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.268500 (E_RNA) where: Base-Base interactions energy: -105.534 where: short stacking energy: -94.296 Base-Backbone interact. energy: 1.707 local terms energy: -223.441334 where: bonds (distance) C4'-P energy: -63.780 bonds (distance) P-C4' energy: -71.931 flat angles C4'-P-C4' energy: -52.680 flat angles P-C4'-P energy: -32.773 tors. eta vs tors. theta energy: -2.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -1395.454611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.454611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.454611 (E_RNA) where: Base-Base interactions energy: -965.467 where: short stacking energy: -406.494 Base-Backbone interact. energy: -4.852 local terms energy: -425.135603 where: bonds (distance) C4'-P energy: -81.123 bonds (distance) P-C4' energy: -76.061 flat angles C4'-P-C4' energy: -91.216 flat angles P-C4'-P energy: -67.402 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: 2, replica: 7 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -1352.954893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.954893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.954893 (E_RNA) where: Base-Base interactions energy: -936.180 where: short stacking energy: -407.219 Base-Backbone interact. energy: -1.668 local terms energy: -415.107064 where: bonds (distance) C4'-P energy: -81.477 bonds (distance) P-C4' energy: -74.543 flat angles C4'-P-C4' energy: -80.133 flat angles P-C4'-P energy: -56.556 tors. eta vs tors. theta energy: -122.399 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: 8 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -1291.610356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.610356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.610356 (E_RNA) where: Base-Base interactions energy: -851.756 where: short stacking energy: -388.562 Base-Backbone interact. energy: -0.601 local terms energy: -439.253644 where: bonds (distance) C4'-P energy: -88.811 bonds (distance) P-C4' energy: -71.290 flat angles C4'-P-C4' energy: -99.880 flat angles P-C4'-P energy: -56.750 tors. eta vs tors. theta energy: -122.523 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: 4, replica: 9 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -1233.206229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.206229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.206229 (E_RNA) where: Base-Base interactions energy: -857.294 where: short stacking energy: -357.133 Base-Backbone interact. energy: -1.939 local terms energy: -373.972838 where: bonds (distance) C4'-P energy: -70.164 bonds (distance) P-C4' energy: -64.778 flat angles C4'-P-C4' energy: -82.399 flat angles P-C4'-P energy: -54.719 tors. eta vs tors. theta energy: -101.912 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: 1 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -1108.468851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.468851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.468851 (E_RNA) where: Base-Base interactions energy: -722.135 where: short stacking energy: -302.080 Base-Backbone interact. energy: -2.863 local terms energy: -383.470629 where: bonds (distance) C4'-P energy: -72.422 bonds (distance) P-C4' energy: -83.812 flat angles C4'-P-C4' energy: -83.242 flat angles P-C4'-P energy: -54.516 tors. eta vs tors. theta energy: -89.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -984.345029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.345029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.345029 (E_RNA) where: Base-Base interactions energy: -634.719 where: short stacking energy: -266.873 Base-Backbone interact. energy: -0.261 local terms energy: -349.365407 where: bonds (distance) C4'-P energy: -81.451 bonds (distance) P-C4' energy: -70.423 flat angles C4'-P-C4' energy: -78.323 flat angles P-C4'-P energy: -54.756 tors. eta vs tors. theta energy: -64.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -880.877465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.877465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.877465 (E_RNA) where: Base-Base interactions energy: -561.224 where: short stacking energy: -253.093 Base-Backbone interact. energy: -1.776 local terms energy: -317.877869 where: bonds (distance) C4'-P energy: -59.959 bonds (distance) P-C4' energy: -78.075 flat angles C4'-P-C4' energy: -68.613 flat angles P-C4'-P energy: -49.666 tors. eta vs tors. theta energy: -61.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -522.760338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.760338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.760338 (E_RNA) where: Base-Base interactions energy: -270.282 where: short stacking energy: -165.713 Base-Backbone interact. energy: 1.633 local terms energy: -254.111619 where: bonds (distance) C4'-P energy: -61.775 bonds (distance) P-C4' energy: -80.399 flat angles C4'-P-C4' energy: -72.667 flat angles P-C4'-P energy: -22.498 tors. eta vs tors. theta energy: -16.772 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: 9, replica: 4 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -506.472015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.472015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.472015 (E_RNA) where: Base-Base interactions energy: -251.459 where: short stacking energy: -148.449 Base-Backbone interact. energy: -0.620 local terms energy: -254.393024 where: bonds (distance) C4'-P energy: -71.062 bonds (distance) P-C4' energy: -63.953 flat angles C4'-P-C4' energy: -56.271 flat angles P-C4'-P energy: -47.551 tors. eta vs tors. theta energy: -15.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -329.130951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.130951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.130951 (E_RNA) where: Base-Base interactions energy: -96.971 where: short stacking energy: -88.339 Base-Backbone interact. energy: -0.182 local terms energy: -231.978001 where: bonds (distance) C4'-P energy: -59.975 bonds (distance) P-C4' energy: -80.181 flat angles C4'-P-C4' energy: -64.361 flat angles P-C4'-P energy: -39.425 tors. eta vs tors. theta energy: 11.964 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: 1, replica: 3 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -1404.428511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.428511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.428511 (E_RNA) where: Base-Base interactions energy: -969.246 where: short stacking energy: -386.791 Base-Backbone interact. energy: -1.567 local terms energy: -433.615682 where: bonds (distance) C4'-P energy: -76.184 bonds (distance) P-C4' energy: -83.531 flat angles C4'-P-C4' energy: -101.202 flat angles P-C4'-P energy: -61.465 tors. eta vs tors. theta energy: -111.234 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: 7 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -1342.236951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.236951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.236951 (E_RNA) where: Base-Base interactions energy: -914.311 where: short stacking energy: -387.047 Base-Backbone interact. energy: -1.331 local terms energy: -426.595640 where: bonds (distance) C4'-P energy: -80.459 bonds (distance) P-C4' energy: -79.916 flat angles C4'-P-C4' energy: -90.396 flat angles P-C4'-P energy: -61.637 tors. eta vs tors. theta energy: -114.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -1284.971792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.971792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.971792 (E_RNA) where: Base-Base interactions energy: -871.403 where: short stacking energy: -393.307 Base-Backbone interact. energy: -0.425 local terms energy: -413.143918 where: bonds (distance) C4'-P energy: -72.997 bonds (distance) P-C4' energy: -72.792 flat angles C4'-P-C4' energy: -90.537 flat angles P-C4'-P energy: -48.790 tors. eta vs tors. theta energy: -128.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -1253.887287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.887287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.887287 (E_RNA) where: Base-Base interactions energy: -847.891 where: short stacking energy: -354.094 Base-Backbone interact. energy: 1.679 local terms energy: -407.675574 where: bonds (distance) C4'-P energy: -73.598 bonds (distance) P-C4' energy: -81.687 flat angles C4'-P-C4' energy: -80.318 flat angles P-C4'-P energy: -64.262 tors. eta vs tors. theta energy: -107.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -1134.949158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.949158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.949158 (E_RNA) where: Base-Base interactions energy: -741.838 where: short stacking energy: -337.189 Base-Backbone interact. energy: -2.542 local terms energy: -390.569000 where: bonds (distance) C4'-P energy: -71.132 bonds (distance) P-C4' energy: -81.987 flat angles C4'-P-C4' energy: -80.602 flat angles P-C4'-P energy: -51.278 tors. eta vs tors. theta energy: -105.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -964.523326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.523326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.523326 (E_RNA) where: Base-Base interactions energy: -628.476 where: short stacking energy: -288.241 Base-Backbone interact. energy: -0.841 local terms energy: -335.206280 where: bonds (distance) C4'-P energy: -71.611 bonds (distance) P-C4' energy: -69.677 flat angles C4'-P-C4' energy: -78.552 flat angles P-C4'-P energy: -52.924 tors. eta vs tors. theta energy: -62.443 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: 5 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -853.327786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.327786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.327786 (E_RNA) where: Base-Base interactions energy: -521.156 where: short stacking energy: -251.222 Base-Backbone interact. energy: 0.298 local terms energy: -332.469700 where: bonds (distance) C4'-P energy: -69.744 bonds (distance) P-C4' energy: -68.090 flat angles C4'-P-C4' energy: -83.651 flat angles P-C4'-P energy: -53.259 tors. eta vs tors. theta energy: -57.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -578.042227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.042227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.042227 (E_RNA) where: Base-Base interactions energy: -297.356 where: short stacking energy: -161.276 Base-Backbone interact. energy: -1.510 local terms energy: -279.175493 where: bonds (distance) C4'-P energy: -78.896 bonds (distance) P-C4' energy: -73.022 flat angles C4'-P-C4' energy: -74.791 flat angles P-C4'-P energy: -39.580 tors. eta vs tors. theta energy: -12.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -442.021476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.021476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.021476 (E_RNA) where: Base-Base interactions energy: -187.172 where: short stacking energy: -118.190 Base-Backbone interact. energy: 5.836 local terms energy: -260.685277 where: bonds (distance) C4'-P energy: -70.645 bonds (distance) P-C4' energy: -84.116 flat angles C4'-P-C4' energy: -60.459 flat angles P-C4'-P energy: -45.576 tors. eta vs tors. theta energy: 0.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -330.356925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.356925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.356925 (E_RNA) where: Base-Base interactions energy: -128.240 where: short stacking energy: -105.908 Base-Backbone interact. energy: 2.446 local terms energy: -204.563001 where: bonds (distance) C4'-P energy: -67.736 bonds (distance) P-C4' energy: -68.316 flat angles C4'-P-C4' energy: -56.196 flat angles P-C4'-P energy: -22.879 tors. eta vs tors. theta energy: 10.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -1405.437867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.437867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.437867 (E_RNA) where: Base-Base interactions energy: -973.961 where: short stacking energy: -397.381 Base-Backbone interact. energy: -2.302 local terms energy: -429.174785 where: bonds (distance) C4'-P energy: -84.195 bonds (distance) P-C4' energy: -80.810 flat angles C4'-P-C4' energy: -87.097 flat angles P-C4'-P energy: -72.500 tors. eta vs tors. theta energy: -104.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -1320.122157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.122157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.122157 (E_RNA) where: Base-Base interactions energy: -891.652 where: short stacking energy: -384.366 Base-Backbone interact. energy: -0.108 local terms energy: -428.362093 where: bonds (distance) C4'-P energy: -74.401 bonds (distance) P-C4' energy: -97.379 flat angles C4'-P-C4' energy: -81.296 flat angles P-C4'-P energy: -56.044 tors. eta vs tors. theta energy: -119.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -1288.617296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.617296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.617296 (E_RNA) where: Base-Base interactions energy: -860.532 where: short stacking energy: -370.429 Base-Backbone interact. energy: -1.893 local terms energy: -426.192363 where: bonds (distance) C4'-P energy: -85.815 bonds (distance) P-C4' energy: -84.586 flat angles C4'-P-C4' energy: -77.306 flat angles P-C4'-P energy: -57.865 tors. eta vs tors. theta energy: -120.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -1230.402434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.402434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.402434 (E_RNA) where: Base-Base interactions energy: -835.373 where: short stacking energy: -352.455 Base-Backbone interact. energy: -1.910 local terms energy: -393.118995 where: bonds (distance) C4'-P energy: -73.458 bonds (distance) P-C4' energy: -82.650 flat angles C4'-P-C4' energy: -82.524 flat angles P-C4'-P energy: -60.455 tors. eta vs tors. theta energy: -94.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -1143.970220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.970220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.970220 (E_RNA) where: Base-Base interactions energy: -759.271 where: short stacking energy: -324.017 Base-Backbone interact. energy: -0.862 local terms energy: -383.837497 where: bonds (distance) C4'-P energy: -73.884 bonds (distance) P-C4' energy: -79.424 flat angles C4'-P-C4' energy: -82.995 flat angles P-C4'-P energy: -55.528 tors. eta vs tors. theta energy: -92.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -996.739538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.739538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.739538 (E_RNA) where: Base-Base interactions energy: -639.873 where: short stacking energy: -283.964 Base-Backbone interact. energy: -2.402 local terms energy: -354.464122 where: bonds (distance) C4'-P energy: -75.405 bonds (distance) P-C4' energy: -69.994 flat angles C4'-P-C4' energy: -78.584 flat angles P-C4'-P energy: -57.956 tors. eta vs tors. theta energy: -72.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -828.527711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.527711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.527711 (E_RNA) where: Base-Base interactions energy: -524.680 where: short stacking energy: -238.600 Base-Backbone interact. energy: -0.160 local terms energy: -303.688092 where: bonds (distance) C4'-P energy: -65.471 bonds (distance) P-C4' energy: -66.203 flat angles C4'-P-C4' energy: -73.610 flat angles P-C4'-P energy: -50.715 tors. eta vs tors. theta energy: -47.690 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: 8, replica: 2 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -552.909317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.909317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.909317 (E_RNA) where: Base-Base interactions energy: -303.409 where: short stacking energy: -159.608 Base-Backbone interact. energy: -3.128 local terms energy: -246.371644 where: bonds (distance) C4'-P energy: -68.026 bonds (distance) P-C4' energy: -73.482 flat angles C4'-P-C4' energy: -55.929 flat angles P-C4'-P energy: -31.394 tors. eta vs tors. theta energy: -17.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -446.986782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.986782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.986782 (E_RNA) where: Base-Base interactions energy: -207.223 where: short stacking energy: -141.206 Base-Backbone interact. energy: -1.418 local terms energy: -238.345234 where: bonds (distance) C4'-P energy: -64.500 bonds (distance) P-C4' energy: -59.047 flat angles C4'-P-C4' energy: -56.836 flat angles P-C4'-P energy: -35.282 tors. eta vs tors. theta energy: -22.680 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: 10 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -385.378087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.378087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.378087 (E_RNA) where: Base-Base interactions energy: -158.197 where: short stacking energy: -111.466 Base-Backbone interact. energy: 4.351 local terms energy: -231.532637 where: bonds (distance) C4'-P energy: -63.489 bonds (distance) P-C4' energy: -67.529 flat angles C4'-P-C4' energy: -57.888 flat angles P-C4'-P energy: -49.050 tors. eta vs tors. theta energy: 6.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -1399.336054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.336054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.336054 (E_RNA) where: Base-Base interactions energy: -993.560 where: short stacking energy: -399.813 Base-Backbone interact. energy: 4.393 local terms energy: -410.169006 where: bonds (distance) C4'-P energy: -79.074 bonds (distance) P-C4' energy: -74.268 flat angles C4'-P-C4' energy: -85.994 flat angles P-C4'-P energy: -61.599 tors. eta vs tors. theta energy: -109.234 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: 7 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -1351.331417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.331417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.331417 (E_RNA) where: Base-Base interactions energy: -906.718 where: short stacking energy: -405.094 Base-Backbone interact. energy: -1.894 local terms energy: -442.719487 where: bonds (distance) C4'-P energy: -79.774 bonds (distance) P-C4' energy: -73.675 flat angles C4'-P-C4' energy: -93.584 flat angles P-C4'-P energy: -61.208 tors. eta vs tors. theta energy: -134.479 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: 3, replica: 8 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -1302.025430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.025430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.025430 (E_RNA) where: Base-Base interactions energy: -876.360 where: short stacking energy: -406.719 Base-Backbone interact. energy: -0.410 local terms energy: -425.255282 where: bonds (distance) C4'-P energy: -71.731 bonds (distance) P-C4' energy: -84.184 flat angles C4'-P-C4' energy: -91.316 flat angles P-C4'-P energy: -55.590 tors. eta vs tors. theta energy: -122.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -1272.888599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.888599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.888599 (E_RNA) where: Base-Base interactions energy: -871.530 where: short stacking energy: -357.180 Base-Backbone interact. energy: 0.066 local terms energy: -401.424388 where: bonds (distance) C4'-P energy: -80.577 bonds (distance) P-C4' energy: -79.731 flat angles C4'-P-C4' energy: -84.996 flat angles P-C4'-P energy: -49.517 tors. eta vs tors. theta energy: -106.604 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: 1 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -1107.241717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.241717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.241717 (E_RNA) where: Base-Base interactions energy: -736.082 where: short stacking energy: -338.997 Base-Backbone interact. energy: 3.339 local terms energy: -374.498575 where: bonds (distance) C4'-P energy: -74.103 bonds (distance) P-C4' energy: -67.612 flat angles C4'-P-C4' energy: -90.457 flat angles P-C4'-P energy: -45.902 tors. eta vs tors. theta energy: -96.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -981.173360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.173360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.173360 (E_RNA) where: Base-Base interactions energy: -633.722 where: short stacking energy: -268.009 Base-Backbone interact. energy: -1.017 local terms energy: -346.434346 where: bonds (distance) C4'-P energy: -70.411 bonds (distance) P-C4' energy: -62.979 flat angles C4'-P-C4' energy: -92.627 flat angles P-C4'-P energy: -49.621 tors. eta vs tors. theta energy: -70.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -835.496439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.496439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.496439 (E_RNA) where: Base-Base interactions energy: -524.587 where: short stacking energy: -220.736 Base-Backbone interact. energy: -0.930 local terms energy: -309.980263 where: bonds (distance) C4'-P energy: -69.155 bonds (distance) P-C4' energy: -75.366 flat angles C4'-P-C4' energy: -76.315 flat angles P-C4'-P energy: -43.056 tors. eta vs tors. theta energy: -46.089 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: 8, replica: 2 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -565.063660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.063660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.063660 (E_RNA) where: Base-Base interactions energy: -321.100 where: short stacking energy: -178.638 Base-Backbone interact. energy: 0.119 local terms energy: -244.082590 where: bonds (distance) C4'-P energy: -59.995 bonds (distance) P-C4' energy: -69.763 flat angles C4'-P-C4' energy: -44.497 flat angles P-C4'-P energy: -43.925 tors. eta vs tors. theta energy: -25.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -342.653266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.653266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.653266 (E_RNA) where: Base-Base interactions energy: -108.698 where: short stacking energy: -93.099 Base-Backbone interact. energy: -2.728 local terms energy: -231.226465 where: bonds (distance) C4'-P energy: -65.107 bonds (distance) P-C4' energy: -81.663 flat angles C4'-P-C4' energy: -53.864 flat angles P-C4'-P energy: -39.610 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: 10, replica: 10 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -326.791818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.791818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.791818 (E_RNA) where: Base-Base interactions energy: -112.336 where: short stacking energy: -100.350 Base-Backbone interact. energy: -1.359 local terms energy: -213.096364 where: bonds (distance) C4'-P energy: -60.061 bonds (distance) P-C4' energy: -59.538 flat angles C4'-P-C4' energy: -63.538 flat angles P-C4'-P energy: -39.588 tors. eta vs tors. theta energy: 9.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -1408.913335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.913335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.913335 (E_RNA) where: Base-Base interactions energy: -959.277 where: short stacking energy: -392.114 Base-Backbone interact. energy: 0.268 local terms energy: -449.904462 where: bonds (distance) C4'-P energy: -91.930 bonds (distance) P-C4' energy: -84.366 flat angles C4'-P-C4' energy: -92.308 flat angles P-C4'-P energy: -67.518 tors. eta vs tors. theta energy: -113.782 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: 7 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -1335.541902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.541902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.541902 (E_RNA) where: Base-Base interactions energy: -890.021 where: short stacking energy: -378.920 Base-Backbone interact. energy: -0.096 local terms energy: -445.424427 where: bonds (distance) C4'-P energy: -87.819 bonds (distance) P-C4' energy: -86.515 flat angles C4'-P-C4' energy: -86.804 flat angles P-C4'-P energy: -59.523 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: 3, replica: 8 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -1293.403639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.403639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.403639 (E_RNA) where: Base-Base interactions energy: -846.130 where: short stacking energy: -373.352 Base-Backbone interact. energy: -0.344 local terms energy: -446.928951 where: bonds (distance) C4'-P energy: -79.379 bonds (distance) P-C4' energy: -83.485 flat angles C4'-P-C4' energy: -93.587 flat angles P-C4'-P energy: -63.041 tors. eta vs tors. theta energy: -127.438 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: 9 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -1243.658638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.658638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.658638 (E_RNA) where: Base-Base interactions energy: -870.499 where: short stacking energy: -353.697 Base-Backbone interact. energy: -1.036 local terms energy: -372.122833 where: bonds (distance) C4'-P energy: -69.595 bonds (distance) P-C4' energy: -69.949 flat angles C4'-P-C4' energy: -76.345 flat angles P-C4'-P energy: -53.077 tors. eta vs tors. theta energy: -103.156 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: 1 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -1081.069963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.069963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.069963 (E_RNA) where: Base-Base interactions energy: -701.427 where: short stacking energy: -308.011 Base-Backbone interact. energy: -1.620 local terms energy: -378.022612 where: bonds (distance) C4'-P energy: -72.741 bonds (distance) P-C4' energy: -72.432 flat angles C4'-P-C4' energy: -77.949 flat angles P-C4'-P energy: -56.389 tors. eta vs tors. theta energy: -98.513 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: 6 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -937.690832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.690832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.690832 (E_RNA) where: Base-Base interactions energy: -589.296 where: short stacking energy: -259.189 Base-Backbone interact. energy: -0.450 local terms energy: -347.944401 where: bonds (distance) C4'-P energy: -72.793 bonds (distance) P-C4' energy: -79.926 flat angles C4'-P-C4' energy: -79.086 flat angles P-C4'-P energy: -42.238 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: 7, replica: 5 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -828.516026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.516026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.516026 (E_RNA) where: Base-Base interactions energy: -518.885 where: short stacking energy: -234.467 Base-Backbone interact. energy: 0.814 local terms energy: -310.444952 where: bonds (distance) C4'-P energy: -66.139 bonds (distance) P-C4' energy: -76.745 flat angles C4'-P-C4' energy: -63.106 flat angles P-C4'-P energy: -49.433 tors. eta vs tors. theta energy: -55.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -589.015842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.015842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.015842 (E_RNA) where: Base-Base interactions energy: -335.461 where: short stacking energy: -181.647 Base-Backbone interact. energy: -0.652 local terms energy: -252.902813 where: bonds (distance) C4'-P energy: -57.275 bonds (distance) P-C4' energy: -62.822 flat angles C4'-P-C4' energy: -58.725 flat angles P-C4'-P energy: -45.442 tors. eta vs tors. theta energy: -28.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -330.705846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.705846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.705846 (E_RNA) where: Base-Base interactions energy: -120.237 where: short stacking energy: -106.925 Base-Backbone interact. energy: -0.913 local terms energy: -209.556120 where: bonds (distance) C4'-P energy: -67.151 bonds (distance) P-C4' energy: -72.563 flat angles C4'-P-C4' energy: -58.714 flat angles P-C4'-P energy: -16.743 tors. eta vs tors. theta energy: 5.615 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: 10, replica: 4 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -335.406596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.406596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.406596 (E_RNA) where: Base-Base interactions energy: -127.573 where: short stacking energy: -105.100 Base-Backbone interact. energy: 0.863 local terms energy: -208.696317 where: bonds (distance) C4'-P energy: -68.225 bonds (distance) P-C4' energy: -64.048 flat angles C4'-P-C4' energy: -67.190 flat angles P-C4'-P energy: -15.532 tors. eta vs tors. theta energy: 6.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -1400.053951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.053951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.053951 (E_RNA) where: Base-Base interactions energy: -960.409 where: short stacking energy: -409.274 Base-Backbone interact. energy: 0.163 local terms energy: -439.808280 where: bonds (distance) C4'-P energy: -81.607 bonds (distance) P-C4' energy: -85.345 flat angles C4'-P-C4' energy: -91.391 flat angles P-C4'-P energy: -64.328 tors. eta vs tors. theta energy: -117.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -1328.522672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.522672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.522672 (E_RNA) where: Base-Base interactions energy: -901.023 where: short stacking energy: -391.124 Base-Backbone interact. energy: -0.696 local terms energy: -426.804075 where: bonds (distance) C4'-P energy: -83.959 bonds (distance) P-C4' energy: -70.533 flat angles C4'-P-C4' energy: -95.763 flat angles P-C4'-P energy: -58.109 tors. eta vs tors. theta energy: -118.440 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: 3, replica: 8 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -1272.000770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.000770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.000770 (E_RNA) where: Base-Base interactions energy: -871.590 where: short stacking energy: -379.451 Base-Backbone interact. energy: -1.069 local terms energy: -399.342610 where: bonds (distance) C4'-P energy: -76.919 bonds (distance) P-C4' energy: -68.308 flat angles C4'-P-C4' energy: -90.767 flat angles P-C4'-P energy: -42.447 tors. eta vs tors. theta energy: -120.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -1238.646989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.646989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.646989 (E_RNA) where: Base-Base interactions energy: -857.695 where: short stacking energy: -349.911 Base-Backbone interact. energy: -0.803 local terms energy: -380.148788 where: bonds (distance) C4'-P energy: -71.359 bonds (distance) P-C4' energy: -74.359 flat angles C4'-P-C4' energy: -79.020 flat angles P-C4'-P energy: -50.941 tors. eta vs tors. theta energy: -104.470 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: 1 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -1063.578992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.578992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.578992 (E_RNA) where: Base-Base interactions energy: -664.833 where: short stacking energy: -281.812 Base-Backbone interact. energy: 2.143 local terms energy: -400.889003 where: bonds (distance) C4'-P energy: -86.181 bonds (distance) P-C4' energy: -80.216 flat angles C4'-P-C4' energy: -82.643 flat angles P-C4'-P energy: -63.793 tors. eta vs tors. theta energy: -88.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -976.192126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.192126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.192126 (E_RNA) where: Base-Base interactions energy: -630.166 where: short stacking energy: -264.768 Base-Backbone interact. energy: -1.815 local terms energy: -344.211370 where: bonds (distance) C4'-P energy: -67.638 bonds (distance) P-C4' energy: -69.608 flat angles C4'-P-C4' energy: -81.457 flat angles P-C4'-P energy: -57.410 tors. eta vs tors. theta energy: -68.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -834.130901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.130901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.130901 (E_RNA) where: Base-Base interactions energy: -515.560 where: short stacking energy: -237.630 Base-Backbone interact. energy: 2.187 local terms energy: -320.757789 where: bonds (distance) C4'-P energy: -77.184 bonds (distance) P-C4' energy: -70.559 flat angles C4'-P-C4' energy: -76.435 flat angles P-C4'-P energy: -48.876 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: 8, replica: 2 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -588.081889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.081889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.081889 (E_RNA) where: Base-Base interactions energy: -312.166 where: short stacking energy: -173.837 Base-Backbone interact. energy: -0.881 local terms energy: -275.034572 where: bonds (distance) C4'-P energy: -61.863 bonds (distance) P-C4' energy: -78.788 flat angles C4'-P-C4' energy: -53.594 flat angles P-C4'-P energy: -52.982 tors. eta vs tors. theta energy: -27.808 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: 10 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -345.640873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.640873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.640873 (E_RNA) where: Base-Base interactions energy: -116.332 where: short stacking energy: -92.320 Base-Backbone interact. energy: -1.335 local terms energy: -227.973431 where: bonds (distance) C4'-P energy: -70.406 bonds (distance) P-C4' energy: -76.364 flat angles C4'-P-C4' energy: -52.252 flat angles P-C4'-P energy: -31.655 tors. eta vs tors. theta energy: 2.705 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: 4 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -351.622192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.622192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.622192 (E_RNA) where: Base-Base interactions energy: -141.891 where: short stacking energy: -92.875 Base-Backbone interact. energy: -1.001 local terms energy: -208.730316 where: bonds (distance) C4'-P energy: -71.484 bonds (distance) P-C4' energy: -68.752 flat angles C4'-P-C4' energy: -55.972 flat angles P-C4'-P energy: -26.491 tors. eta vs tors. theta energy: 13.969 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: 1, replica: 3 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -1391.967712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.967712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.967712 (E_RNA) where: Base-Base interactions energy: -969.989 where: short stacking energy: -402.803 Base-Backbone interact. energy: -2.459 local terms energy: -419.519233 where: bonds (distance) C4'-P energy: -83.936 bonds (distance) P-C4' energy: -75.499 flat angles C4'-P-C4' energy: -85.784 flat angles P-C4'-P energy: -49.430 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: 2, replica: 7 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -1361.657829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.657829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.657829 (E_RNA) where: Base-Base interactions energy: -933.440 where: short stacking energy: -407.579 Base-Backbone interact. energy: 0.774 local terms energy: -428.991688 where: bonds (distance) C4'-P energy: -78.429 bonds (distance) P-C4' energy: -68.959 flat angles C4'-P-C4' energy: -92.835 flat angles P-C4'-P energy: -65.302 tors. eta vs tors. theta energy: -123.467 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: 3, replica: 8 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -1292.231525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.231525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.231525 (E_RNA) where: Base-Base interactions energy: -877.049 where: short stacking energy: -393.998 Base-Backbone interact. energy: -0.614 local terms energy: -414.568255 where: bonds (distance) C4'-P energy: -75.158 bonds (distance) P-C4' energy: -71.016 flat angles C4'-P-C4' energy: -92.032 flat angles P-C4'-P energy: -64.043 tors. eta vs tors. theta energy: -112.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -1247.096759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.096759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.096759 (E_RNA) where: Base-Base interactions energy: -853.600 where: short stacking energy: -349.599 Base-Backbone interact. energy: -0.205 local terms energy: -393.292527 where: bonds (distance) C4'-P energy: -82.908 bonds (distance) P-C4' energy: -78.748 flat angles C4'-P-C4' energy: -78.772 flat angles P-C4'-P energy: -58.362 tors. eta vs tors. theta energy: -94.503 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: 6 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -1071.631777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.631777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.631777 (E_RNA) where: Base-Base interactions energy: -696.412 where: short stacking energy: -321.633 Base-Backbone interact. energy: -0.681 local terms energy: -374.538439 where: bonds (distance) C4'-P energy: -67.216 bonds (distance) P-C4' energy: -79.185 flat angles C4'-P-C4' energy: -75.315 flat angles P-C4'-P energy: -58.728 tors. eta vs tors. theta energy: -94.095 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: 1 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -1024.446157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.446157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.446157 (E_RNA) where: Base-Base interactions energy: -676.568 where: short stacking energy: -276.631 Base-Backbone interact. energy: -2.821 local terms energy: -345.057404 where: bonds (distance) C4'-P energy: -82.664 bonds (distance) P-C4' energy: -51.009 flat angles C4'-P-C4' energy: -81.108 flat angles P-C4'-P energy: -58.343 tors. eta vs tors. theta energy: -71.933 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: 7, replica: 5 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -841.084226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.084226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.084226 (E_RNA) where: Base-Base interactions energy: -563.655 where: short stacking energy: -249.643 Base-Backbone interact. energy: -1.424 local terms energy: -276.005414 where: bonds (distance) C4'-P energy: -64.957 bonds (distance) P-C4' energy: -62.383 flat angles C4'-P-C4' energy: -73.431 flat angles P-C4'-P energy: -25.602 tors. eta vs tors. theta energy: -49.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -596.695302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.695302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.695302 (E_RNA) where: Base-Base interactions energy: -331.299 where: short stacking energy: -156.707 Base-Backbone interact. energy: -1.501 local terms energy: -263.896085 where: bonds (distance) C4'-P energy: -73.366 bonds (distance) P-C4' energy: -76.850 flat angles C4'-P-C4' energy: -61.826 flat angles P-C4'-P energy: -39.115 tors. eta vs tors. theta energy: -12.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -367.559388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.559388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.559388 (E_RNA) where: Base-Base interactions energy: -138.180 where: short stacking energy: -99.735 Base-Backbone interact. energy: -0.387 local terms energy: -228.991968 where: bonds (distance) C4'-P energy: -53.975 bonds (distance) P-C4' energy: -80.452 flat angles C4'-P-C4' energy: -50.119 flat angles P-C4'-P energy: -49.507 tors. eta vs tors. theta energy: 5.061 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: 10 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -331.294850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.294850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.294850 (E_RNA) where: Base-Base interactions energy: -108.124 where: short stacking energy: -106.379 Base-Backbone interact. energy: -0.709 local terms energy: -222.461630 where: bonds (distance) C4'-P energy: -68.404 bonds (distance) P-C4' energy: -69.873 flat angles C4'-P-C4' energy: -53.661 flat angles P-C4'-P energy: -34.704 tors. eta vs tors. theta energy: 4.180 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: 3 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -1414.148015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.148015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.148015 (E_RNA) where: Base-Base interactions energy: -992.081 where: short stacking energy: -421.081 Base-Backbone interact. energy: 2.047 local terms energy: -424.114329 where: bonds (distance) C4'-P energy: -75.092 bonds (distance) P-C4' energy: -81.955 flat angles C4'-P-C4' energy: -94.909 flat angles P-C4'-P energy: -54.589 tors. eta vs tors. theta energy: -117.570 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: 471 Temperature: 0.950000 Total energy: -1347.256883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.256883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.256883 (E_RNA) where: Base-Base interactions energy: -913.342 where: short stacking energy: -408.603 Base-Backbone interact. energy: -1.915 local terms energy: -432.000519 where: bonds (distance) C4'-P energy: -77.615 bonds (distance) P-C4' energy: -80.695 flat angles C4'-P-C4' energy: -83.666 flat angles P-C4'-P energy: -64.101 tors. eta vs tors. theta energy: -125.924 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: 8 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -1285.756729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.756729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.756729 (E_RNA) where: Base-Base interactions energy: -858.124 where: short stacking energy: -386.336 Base-Backbone interact. energy: -0.603 local terms energy: -427.029962 where: bonds (distance) C4'-P energy: -72.583 bonds (distance) P-C4' energy: -84.567 flat angles C4'-P-C4' energy: -84.490 flat angles P-C4'-P energy: -67.982 tors. eta vs tors. theta energy: -117.408 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: 9 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -1226.920125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.920125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.920125 (E_RNA) where: Base-Base interactions energy: -852.934 where: short stacking energy: -355.213 Base-Backbone interact. energy: -1.500 local terms energy: -372.486287 where: bonds (distance) C4'-P energy: -81.371 bonds (distance) P-C4' energy: -67.271 flat angles C4'-P-C4' energy: -73.485 flat angles P-C4'-P energy: -45.443 tors. eta vs tors. theta energy: -104.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -1081.232173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.232173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.232173 (E_RNA) where: Base-Base interactions energy: -707.178 where: short stacking energy: -328.041 Base-Backbone interact. energy: -2.661 local terms energy: -371.393993 where: bonds (distance) C4'-P energy: -69.697 bonds (distance) P-C4' energy: -87.143 flat angles C4'-P-C4' energy: -83.795 flat angles P-C4'-P energy: -42.266 tors. eta vs tors. theta energy: -88.492 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: 6, replica: 1 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -982.754358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.754358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.754358 (E_RNA) where: Base-Base interactions energy: -650.256 where: short stacking energy: -300.186 Base-Backbone interact. energy: -0.855 local terms energy: -331.642967 where: bonds (distance) C4'-P energy: -64.245 bonds (distance) P-C4' energy: -69.366 flat angles C4'-P-C4' energy: -79.048 flat angles P-C4'-P energy: -46.994 tors. eta vs tors. theta energy: -71.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -875.213369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.213369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.213369 (E_RNA) where: Base-Base interactions energy: -567.109 where: short stacking energy: -259.627 Base-Backbone interact. energy: 0.222 local terms energy: -308.326594 where: bonds (distance) C4'-P energy: -53.640 bonds (distance) P-C4' energy: -76.321 flat angles C4'-P-C4' energy: -71.569 flat angles P-C4'-P energy: -59.294 tors. eta vs tors. theta energy: -47.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -622.688415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.688415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.688415 (E_RNA) where: Base-Base interactions energy: -352.561 where: short stacking energy: -193.454 Base-Backbone interact. energy: -0.083 local terms energy: -270.044114 where: bonds (distance) C4'-P energy: -62.069 bonds (distance) P-C4' energy: -71.244 flat angles C4'-P-C4' energy: -65.248 flat angles P-C4'-P energy: -52.744 tors. eta vs tors. theta energy: -18.740 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: 4 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -347.078377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.078377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.078377 (E_RNA) where: Base-Base interactions energy: -117.734 where: short stacking energy: -90.341 Base-Backbone interact. energy: 8.144 local terms energy: -237.488243 where: bonds (distance) C4'-P energy: -83.260 bonds (distance) P-C4' energy: -68.659 flat angles C4'-P-C4' energy: -63.920 flat angles P-C4'-P energy: -47.700 tors. eta vs tors. theta energy: 26.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -337.512248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.512248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.512248 (E_RNA) where: Base-Base interactions energy: -106.277 where: short stacking energy: -85.640 Base-Backbone interact. energy: -2.672 local terms energy: -228.563645 where: bonds (distance) C4'-P energy: -59.653 bonds (distance) P-C4' energy: -65.320 flat angles C4'-P-C4' energy: -68.125 flat angles P-C4'-P energy: -38.900 tors. eta vs tors. theta energy: 3.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -1409.920425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.920425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.920425 (E_RNA) where: Base-Base interactions energy: -991.065 where: short stacking energy: -416.919 Base-Backbone interact. energy: 4.632 local terms energy: -423.487823 where: bonds (distance) C4'-P energy: -74.024 bonds (distance) P-C4' energy: -80.093 flat angles C4'-P-C4' energy: -97.545 flat angles P-C4'-P energy: -63.019 tors. eta vs tors. theta energy: -108.806 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: 7 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -1359.600093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.600093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.600093 (E_RNA) where: Base-Base interactions energy: -926.872 where: short stacking energy: -392.680 Base-Backbone interact. energy: 0.922 local terms energy: -433.649867 where: bonds (distance) C4'-P energy: -91.385 bonds (distance) P-C4' energy: -79.158 flat angles C4'-P-C4' energy: -90.322 flat angles P-C4'-P energy: -44.456 tors. eta vs tors. theta energy: -128.329 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: 8 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -1335.117746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.117746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.117746 (E_RNA) where: Base-Base interactions energy: -878.094 where: short stacking energy: -391.245 Base-Backbone interact. energy: -0.465 local terms energy: -456.559203 where: bonds (distance) C4'-P energy: -86.779 bonds (distance) P-C4' energy: -88.423 flat angles C4'-P-C4' energy: -89.998 flat angles P-C4'-P energy: -59.741 tors. eta vs tors. theta energy: -131.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -1240.756924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.756924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.756924 (E_RNA) where: Base-Base interactions energy: -866.002 where: short stacking energy: -364.808 Base-Backbone interact. energy: 0.489 local terms energy: -375.243671 where: bonds (distance) C4'-P energy: -74.450 bonds (distance) P-C4' energy: -65.924 flat angles C4'-P-C4' energy: -83.137 flat angles P-C4'-P energy: -58.414 tors. eta vs tors. theta energy: -93.318 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: 6 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -1120.107294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.107294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.107294 (E_RNA) where: Base-Base interactions energy: -756.171 where: short stacking energy: -323.559 Base-Backbone interact. energy: -1.289 local terms energy: -362.647004 where: bonds (distance) C4'-P energy: -59.483 bonds (distance) P-C4' energy: -80.710 flat angles C4'-P-C4' energy: -78.792 flat angles P-C4'-P energy: -53.124 tors. eta vs tors. theta energy: -90.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -998.481611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.481611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.481611 (E_RNA) where: Base-Base interactions energy: -621.043 where: short stacking energy: -291.164 Base-Backbone interact. energy: 1.320 local terms energy: -378.758581 where: bonds (distance) C4'-P energy: -76.339 bonds (distance) P-C4' energy: -73.790 flat angles C4'-P-C4' energy: -79.074 flat angles P-C4'-P energy: -62.108 tors. eta vs tors. theta energy: -87.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -883.725101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.725101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.725101 (E_RNA) where: Base-Base interactions energy: -542.888 where: short stacking energy: -260.209 Base-Backbone interact. energy: -0.318 local terms energy: -340.518674 where: bonds (distance) C4'-P energy: -73.179 bonds (distance) P-C4' energy: -67.883 flat angles C4'-P-C4' energy: -75.396 flat angles P-C4'-P energy: -48.587 tors. eta vs tors. theta energy: -75.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -610.654861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.654861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.654861 (E_RNA) where: Base-Base interactions energy: -336.068 where: short stacking energy: -174.920 Base-Backbone interact. energy: 4.326 local terms energy: -278.912404 where: bonds (distance) C4'-P energy: -72.094 bonds (distance) P-C4' energy: -83.040 flat angles C4'-P-C4' energy: -71.115 flat angles P-C4'-P energy: -35.919 tors. eta vs tors. theta energy: -16.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -432.070369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.070369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.070369 (E_RNA) where: Base-Base interactions energy: -211.465 where: short stacking energy: -141.202 Base-Backbone interact. energy: -0.143 local terms energy: -220.462211 where: bonds (distance) C4'-P energy: -58.525 bonds (distance) P-C4' energy: -75.498 flat angles C4'-P-C4' energy: -50.461 flat angles P-C4'-P energy: -29.132 tors. eta vs tors. theta energy: -6.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -342.583073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.583073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.583073 (E_RNA) where: Base-Base interactions energy: -116.357 where: short stacking energy: -105.768 Base-Backbone interact. energy: -0.508 local terms energy: -225.717573 where: bonds (distance) C4'-P energy: -74.686 bonds (distance) P-C4' energy: -72.039 flat angles C4'-P-C4' energy: -57.566 flat angles P-C4'-P energy: -41.812 tors. eta vs tors. theta energy: 20.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -1405.255578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.255578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.255578 (E_RNA) where: Base-Base interactions energy: -971.227 where: short stacking energy: -412.757 Base-Backbone interact. energy: 7.046 local terms energy: -441.074730 where: bonds (distance) C4'-P energy: -87.936 bonds (distance) P-C4' energy: -80.255 flat angles C4'-P-C4' energy: -94.430 flat angles P-C4'-P energy: -64.463 tors. eta vs tors. theta energy: -113.989 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: 7 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -1365.948036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.948036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.948036 (E_RNA) where: Base-Base interactions energy: -935.101 where: short stacking energy: -396.004 Base-Backbone interact. energy: 0.419 local terms energy: -431.265877 where: bonds (distance) C4'-P energy: -79.809 bonds (distance) P-C4' energy: -87.297 flat angles C4'-P-C4' energy: -87.796 flat angles P-C4'-P energy: -47.282 tors. eta vs tors. theta energy: -129.083 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: 8 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -1328.355786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.355786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.355786 (E_RNA) where: Base-Base interactions energy: -907.150 where: short stacking energy: -420.036 Base-Backbone interact. energy: -1.146 local terms energy: -420.059503 where: bonds (distance) C4'-P energy: -68.546 bonds (distance) P-C4' energy: -70.556 flat angles C4'-P-C4' energy: -95.882 flat angles P-C4'-P energy: -53.582 tors. eta vs tors. theta energy: -131.493 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: 9 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -1251.770471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.770471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.770471 (E_RNA) where: Base-Base interactions energy: -855.230 where: short stacking energy: -360.348 Base-Backbone interact. energy: -0.800 local terms energy: -395.740939 where: bonds (distance) C4'-P energy: -68.779 bonds (distance) P-C4' energy: -73.546 flat angles C4'-P-C4' energy: -86.365 flat angles P-C4'-P energy: -55.116 tors. eta vs tors. theta energy: -111.935 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: 6 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -1123.966000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.966000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.966000 (E_RNA) where: Base-Base interactions energy: -751.673 where: short stacking energy: -322.093 Base-Backbone interact. energy: -1.603 local terms energy: -370.689977 where: bonds (distance) C4'-P energy: -78.520 bonds (distance) P-C4' energy: -76.417 flat angles C4'-P-C4' energy: -78.431 flat angles P-C4'-P energy: -49.397 tors. eta vs tors. theta energy: -87.926 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: 473 Temperature: 1.150000 Total energy: -1003.986662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.986662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.986662 (E_RNA) where: Base-Base interactions energy: -641.707 where: short stacking energy: -295.498 Base-Backbone interact. energy: -0.997 local terms energy: -361.282014 where: bonds (distance) C4'-P energy: -64.886 bonds (distance) P-C4' energy: -72.583 flat angles C4'-P-C4' energy: -86.098 flat angles P-C4'-P energy: -46.054 tors. eta vs tors. theta energy: -91.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -858.760561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.760561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.760561 (E_RNA) where: Base-Base interactions energy: -540.958 where: short stacking energy: -256.020 Base-Backbone interact. energy: -2.885 local terms energy: -314.917608 where: bonds (distance) C4'-P energy: -80.179 bonds (distance) P-C4' energy: -72.543 flat angles C4'-P-C4' energy: -62.882 flat angles P-C4'-P energy: -42.503 tors. eta vs tors. theta energy: -56.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -625.797674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.797674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.797674 (E_RNA) where: Base-Base interactions energy: -339.457 where: short stacking energy: -173.791 Base-Backbone interact. energy: 0.787 local terms energy: -287.127786 where: bonds (distance) C4'-P energy: -62.362 bonds (distance) P-C4' energy: -70.260 flat angles C4'-P-C4' energy: -77.565 flat angles P-C4'-P energy: -51.003 tors. eta vs tors. theta energy: -25.938 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: 9, replica: 10 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -437.122103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.122103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.122103 (E_RNA) where: Base-Base interactions energy: -184.210 where: short stacking energy: -130.000 Base-Backbone interact. energy: 0.073 local terms energy: -252.984606 where: bonds (distance) C4'-P energy: -68.285 bonds (distance) P-C4' energy: -70.141 flat angles C4'-P-C4' energy: -64.985 flat angles P-C4'-P energy: -37.273 tors. eta vs tors. theta energy: -12.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -336.398287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.398287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.398287 (E_RNA) where: Base-Base interactions energy: -133.352 where: short stacking energy: -111.378 Base-Backbone interact. energy: -3.415 local terms energy: -199.631115 where: bonds (distance) C4'-P energy: -57.447 bonds (distance) P-C4' energy: -66.061 flat angles C4'-P-C4' energy: -43.364 flat angles P-C4'-P energy: -32.500 tors. eta vs tors. theta energy: -0.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -1397.680312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.680312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.680312 (E_RNA) where: Base-Base interactions energy: -964.135 where: short stacking energy: -416.685 Base-Backbone interact. energy: 2.271 local terms energy: -435.817151 where: bonds (distance) C4'-P energy: -81.962 bonds (distance) P-C4' energy: -82.716 flat angles C4'-P-C4' energy: -88.154 flat angles P-C4'-P energy: -61.275 tors. eta vs tors. theta energy: -121.709 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: 7 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -1368.347544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.347544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.347544 (E_RNA) where: Base-Base interactions energy: -931.109 where: short stacking energy: -388.599 Base-Backbone interact. energy: -1.144 local terms energy: -436.094607 where: bonds (distance) C4'-P energy: -79.829 bonds (distance) P-C4' energy: -77.102 flat angles C4'-P-C4' energy: -84.839 flat angles P-C4'-P energy: -69.069 tors. eta vs tors. theta energy: -125.255 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: 8 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -1341.968523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.968523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.968523 (E_RNA) where: Base-Base interactions energy: -890.224 where: short stacking energy: -399.004 Base-Backbone interact. energy: -1.164 local terms energy: -450.579841 where: bonds (distance) C4'-P energy: -88.203 bonds (distance) P-C4' energy: -76.807 flat angles C4'-P-C4' energy: -83.990 flat angles P-C4'-P energy: -66.191 tors. eta vs tors. theta energy: -135.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -1233.000598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.000598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.000598 (E_RNA) where: Base-Base interactions energy: -859.428 where: short stacking energy: -356.496 Base-Backbone interact. energy: 2.896 local terms energy: -376.467961 where: bonds (distance) C4'-P energy: -69.619 bonds (distance) P-C4' energy: -74.385 flat angles C4'-P-C4' energy: -71.997 flat angles P-C4'-P energy: -57.419 tors. eta vs tors. theta energy: -103.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -1071.629296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.629296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.629296 (E_RNA) where: Base-Base interactions energy: -704.897 where: short stacking energy: -305.757 Base-Backbone interact. energy: 0.090 local terms energy: -366.822020 where: bonds (distance) C4'-P energy: -73.622 bonds (distance) P-C4' energy: -76.062 flat angles C4'-P-C4' energy: -76.504 flat angles P-C4'-P energy: -52.020 tors. eta vs tors. theta energy: -88.614 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: 1 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -966.226878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.226878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.226878 (E_RNA) where: Base-Base interactions energy: -629.249 where: short stacking energy: -264.004 Base-Backbone interact. energy: -0.936 local terms energy: -336.041557 where: bonds (distance) C4'-P energy: -65.233 bonds (distance) P-C4' energy: -79.630 flat angles C4'-P-C4' energy: -71.871 flat angles P-C4'-P energy: -55.271 tors. eta vs tors. theta energy: -64.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -845.641729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.641729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.641729 (E_RNA) where: Base-Base interactions energy: -539.610 where: short stacking energy: -231.289 Base-Backbone interact. energy: -1.172 local terms energy: -304.859194 where: bonds (distance) C4'-P energy: -72.545 bonds (distance) P-C4' energy: -71.139 flat angles C4'-P-C4' energy: -64.066 flat angles P-C4'-P energy: -49.152 tors. eta vs tors. theta energy: -47.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -639.809624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.809624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.809624 (E_RNA) where: Base-Base interactions energy: -355.848 where: short stacking energy: -173.095 Base-Backbone interact. energy: -1.545 local terms energy: -282.416423 where: bonds (distance) C4'-P energy: -81.164 bonds (distance) P-C4' energy: -67.261 flat angles C4'-P-C4' energy: -61.039 flat angles P-C4'-P energy: -46.233 tors. eta vs tors. theta energy: -26.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -393.288721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.288721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.288721 (E_RNA) where: Base-Base interactions energy: -189.419 where: short stacking energy: -128.588 Base-Backbone interact. energy: 11.274 local terms energy: -215.144611 where: bonds (distance) C4'-P energy: -59.495 bonds (distance) P-C4' energy: -69.898 flat angles C4'-P-C4' energy: -56.206 flat angles P-C4'-P energy: -34.756 tors. eta vs tors. theta energy: 5.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -317.721285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.721285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.721285 (E_RNA) where: Base-Base interactions energy: -103.262 where: short stacking energy: -97.514 Base-Backbone interact. energy: -0.442 local terms energy: -214.017917 where: bonds (distance) C4'-P energy: -68.500 bonds (distance) P-C4' energy: -69.152 flat angles C4'-P-C4' energy: -59.406 flat angles P-C4'-P energy: -19.005 tors. eta vs tors. theta energy: 2.046 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: 3 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -1398.061561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.061561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.061561 (E_RNA) where: Base-Base interactions energy: -972.989 where: short stacking energy: -391.885 Base-Backbone interact. energy: -1.369 local terms energy: -423.703949 where: bonds (distance) C4'-P energy: -82.986 bonds (distance) P-C4' energy: -83.170 flat angles C4'-P-C4' energy: -86.174 flat angles P-C4'-P energy: -62.004 tors. eta vs tors. theta energy: -109.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -1380.795984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.795984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.795984 (E_RNA) where: Base-Base interactions energy: -931.057 where: short stacking energy: -431.770 Base-Backbone interact. energy: -0.617 local terms energy: -449.121807 where: bonds (distance) C4'-P energy: -71.610 bonds (distance) P-C4' energy: -78.572 flat angles C4'-P-C4' energy: -89.673 flat angles P-C4'-P energy: -68.826 tors. eta vs tors. theta energy: -140.440 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: 3, replica: 7 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -1336.134402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.134402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.134402 (E_RNA) where: Base-Base interactions energy: -900.389 where: short stacking energy: -380.290 Base-Backbone interact. energy: -1.157 local terms energy: -434.587808 where: bonds (distance) C4'-P energy: -87.060 bonds (distance) P-C4' energy: -74.527 flat angles C4'-P-C4' energy: -90.439 flat angles P-C4'-P energy: -52.867 tors. eta vs tors. theta energy: -129.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -1253.436889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.436889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.436889 (E_RNA) where: Base-Base interactions energy: -848.681 where: short stacking energy: -359.871 Base-Backbone interact. energy: -0.484 local terms energy: -404.272339 where: bonds (distance) C4'-P energy: -83.140 bonds (distance) P-C4' energy: -75.245 flat angles C4'-P-C4' energy: -83.126 flat angles P-C4'-P energy: -64.722 tors. eta vs tors. theta energy: -98.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -1101.661816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.661816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.661816 (E_RNA) where: Base-Base interactions energy: -751.268 where: short stacking energy: -323.038 Base-Backbone interact. energy: -1.533 local terms energy: -348.860770 where: bonds (distance) C4'-P energy: -63.687 bonds (distance) P-C4' energy: -63.722 flat angles C4'-P-C4' energy: -68.345 flat angles P-C4'-P energy: -59.142 tors. eta vs tors. theta energy: -93.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -1011.249046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.249046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.249046 (E_RNA) where: Base-Base interactions energy: -656.630 where: short stacking energy: -274.188 Base-Backbone interact. energy: -1.399 local terms energy: -353.220018 where: bonds (distance) C4'-P energy: -61.214 bonds (distance) P-C4' energy: -77.340 flat angles C4'-P-C4' energy: -80.041 flat angles P-C4'-P energy: -55.795 tors. eta vs tors. theta energy: -78.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -786.881131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.881131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.881131 (E_RNA) where: Base-Base interactions energy: -495.686 where: short stacking energy: -218.951 Base-Backbone interact. energy: -2.879 local terms energy: -288.316958 where: bonds (distance) C4'-P energy: -66.391 bonds (distance) P-C4' energy: -83.903 flat angles C4'-P-C4' energy: -80.392 flat angles P-C4'-P energy: -31.883 tors. eta vs tors. theta energy: -25.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -657.926588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.926588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.926588 (E_RNA) where: Base-Base interactions energy: -390.334 where: short stacking energy: -185.458 Base-Backbone interact. energy: -2.947 local terms energy: -264.645629 where: bonds (distance) C4'-P energy: -68.658 bonds (distance) P-C4' energy: -60.489 flat angles C4'-P-C4' energy: -62.960 flat angles P-C4'-P energy: -41.722 tors. eta vs tors. theta energy: -30.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -443.080651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.080651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.080651 (E_RNA) where: Base-Base interactions energy: -193.854 where: short stacking energy: -122.947 Base-Backbone interact. energy: -1.927 local terms energy: -247.299614 where: bonds (distance) C4'-P energy: -59.692 bonds (distance) P-C4' energy: -76.889 flat angles C4'-P-C4' energy: -74.046 flat angles P-C4'-P energy: -51.799 tors. eta vs tors. theta energy: 15.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -343.783151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.783151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.783151 (E_RNA) where: Base-Base interactions energy: -108.843 where: short stacking energy: -100.594 Base-Backbone interact. energy: -0.950 local terms energy: -233.990225 where: bonds (distance) C4'-P energy: -62.653 bonds (distance) P-C4' energy: -81.083 flat angles C4'-P-C4' energy: -63.393 flat angles P-C4'-P energy: -34.096 tors. eta vs tors. theta energy: 7.235 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: 3 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -1390.898139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.898139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.898139 (E_RNA) where: Base-Base interactions energy: -977.448 where: short stacking energy: -411.916 Base-Backbone interact. energy: 1.172 local terms energy: -414.621374 where: bonds (distance) C4'-P energy: -87.366 bonds (distance) P-C4' energy: -70.646 flat angles C4'-P-C4' energy: -89.617 flat angles P-C4'-P energy: -58.009 tors. eta vs tors. theta energy: -108.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -1362.186169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.186169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.186169 (E_RNA) where: Base-Base interactions energy: -913.890 where: short stacking energy: -427.487 Base-Backbone interact. energy: -0.712 local terms energy: -447.584581 where: bonds (distance) C4'-P energy: -70.635 bonds (distance) P-C4' energy: -75.547 flat angles C4'-P-C4' energy: -92.005 flat angles P-C4'-P energy: -72.118 tors. eta vs tors. theta energy: -137.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -1329.825604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.825604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.825604 (E_RNA) where: Base-Base interactions energy: -920.619 where: short stacking energy: -398.875 Base-Backbone interact. energy: 5.832 local terms energy: -415.038808 where: bonds (distance) C4'-P energy: -76.253 bonds (distance) P-C4' energy: -75.050 flat angles C4'-P-C4' energy: -83.092 flat angles P-C4'-P energy: -58.725 tors. eta vs tors. theta energy: -121.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -1223.156290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.156290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.156290 (E_RNA) where: Base-Base interactions energy: -813.143 where: short stacking energy: -346.559 Base-Backbone interact. energy: -1.963 local terms energy: -408.050151 where: bonds (distance) C4'-P energy: -81.385 bonds (distance) P-C4' energy: -84.812 flat angles C4'-P-C4' energy: -92.727 flat angles P-C4'-P energy: -53.516 tors. eta vs tors. theta energy: -95.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -1146.894251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.894251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.894251 (E_RNA) where: Base-Base interactions energy: -769.753 where: short stacking energy: -336.186 Base-Backbone interact. energy: -1.345 local terms energy: -375.796235 where: bonds (distance) C4'-P energy: -75.905 bonds (distance) P-C4' energy: -75.185 flat angles C4'-P-C4' energy: -81.175 flat angles P-C4'-P energy: -51.629 tors. eta vs tors. theta energy: -91.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -1055.241945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.241945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.241945 (E_RNA) where: Base-Base interactions energy: -701.580 where: short stacking energy: -317.491 Base-Backbone interact. energy: -0.287 local terms energy: -353.375049 where: bonds (distance) C4'-P energy: -75.191 bonds (distance) P-C4' energy: -62.686 flat angles C4'-P-C4' energy: -72.761 flat angles P-C4'-P energy: -53.907 tors. eta vs tors. theta energy: -88.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -827.315430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.315430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.315430 (E_RNA) where: Base-Base interactions energy: -506.062 where: short stacking energy: -229.279 Base-Backbone interact. energy: -1.838 local terms energy: -319.414887 where: bonds (distance) C4'-P energy: -64.149 bonds (distance) P-C4' energy: -72.900 flat angles C4'-P-C4' energy: -80.104 flat angles P-C4'-P energy: -40.505 tors. eta vs tors. theta energy: -61.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -654.347119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.347119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.347119 (E_RNA) where: Base-Base interactions energy: -364.686 where: short stacking energy: -187.593 Base-Backbone interact. energy: -0.861 local terms energy: -288.800428 where: bonds (distance) C4'-P energy: -65.525 bonds (distance) P-C4' energy: -80.709 flat angles C4'-P-C4' energy: -64.554 flat angles P-C4'-P energy: -52.863 tors. eta vs tors. theta energy: -25.150 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: 476 Temperature: 1.300000 Total energy: -447.370942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.370942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.370942 (E_RNA) where: Base-Base interactions energy: -210.877 where: short stacking energy: -130.136 Base-Backbone interact. energy: 5.186 local terms energy: -241.680336 where: bonds (distance) C4'-P energy: -67.084 bonds (distance) P-C4' energy: -61.781 flat angles C4'-P-C4' energy: -49.194 flat angles P-C4'-P energy: -55.673 tors. eta vs tors. theta energy: -7.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -337.566821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.566821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.566821 (E_RNA) where: Base-Base interactions energy: -124.594 where: short stacking energy: -86.950 Base-Backbone interact. energy: -0.406 local terms energy: -212.566903 where: bonds (distance) C4'-P energy: -69.340 bonds (distance) P-C4' energy: -71.053 flat angles C4'-P-C4' energy: -56.400 flat angles P-C4'-P energy: -31.168 tors. eta vs tors. theta energy: 15.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -1410.361984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.361984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.361984 (E_RNA) where: Base-Base interactions energy: -949.602 where: short stacking energy: -391.406 Base-Backbone interact. energy: 2.553 local terms energy: -463.312666 where: bonds (distance) C4'-P energy: -93.750 bonds (distance) P-C4' energy: -87.746 flat angles C4'-P-C4' energy: -95.334 flat angles P-C4'-P energy: -70.582 tors. eta vs tors. theta energy: -115.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -1361.350349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.350349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.350349 (E_RNA) where: Base-Base interactions energy: -912.822 where: short stacking energy: -395.465 Base-Backbone interact. energy: 0.583 local terms energy: -449.111133 where: bonds (distance) C4'-P energy: -82.465 bonds (distance) P-C4' energy: -90.601 flat angles C4'-P-C4' energy: -90.280 flat angles P-C4'-P energy: -59.510 tors. eta vs tors. theta energy: -126.255 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: 8 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -1295.381937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.381937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.381937 (E_RNA) where: Base-Base interactions energy: -872.935 where: short stacking energy: -372.966 Base-Backbone interact. energy: -0.167 local terms energy: -422.280108 where: bonds (distance) C4'-P energy: -79.060 bonds (distance) P-C4' energy: -86.018 flat angles C4'-P-C4' energy: -81.174 flat angles P-C4'-P energy: -64.784 tors. eta vs tors. theta energy: -111.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -1218.067896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.067896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.067896 (E_RNA) where: Base-Base interactions energy: -833.287 where: short stacking energy: -358.720 Base-Backbone interact. energy: -1.135 local terms energy: -383.646187 where: bonds (distance) C4'-P energy: -73.277 bonds (distance) P-C4' energy: -77.556 flat angles C4'-P-C4' energy: -88.076 flat angles P-C4'-P energy: -48.752 tors. eta vs tors. theta energy: -95.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -1148.509258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.509258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.509258 (E_RNA) where: Base-Base interactions energy: -781.543 where: short stacking energy: -320.668 Base-Backbone interact. energy: -2.367 local terms energy: -364.599193 where: bonds (distance) C4'-P energy: -70.367 bonds (distance) P-C4' energy: -60.806 flat angles C4'-P-C4' energy: -79.767 flat angles P-C4'-P energy: -50.990 tors. eta vs tors. theta energy: -102.669 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: 1 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -1092.898928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.898928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.898928 (E_RNA) where: Base-Base interactions energy: -744.887 where: short stacking energy: -333.446 Base-Backbone interact. energy: -0.041 local terms energy: -347.970753 where: bonds (distance) C4'-P energy: -55.411 bonds (distance) P-C4' energy: -64.162 flat angles C4'-P-C4' energy: -88.264 flat angles P-C4'-P energy: -46.683 tors. eta vs tors. theta energy: -93.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -818.323540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.323540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.323540 (E_RNA) where: Base-Base interactions energy: -506.930 where: short stacking energy: -226.412 Base-Backbone interact. energy: -2.348 local terms energy: -309.045443 where: bonds (distance) C4'-P energy: -68.568 bonds (distance) P-C4' energy: -65.831 flat angles C4'-P-C4' energy: -72.453 flat angles P-C4'-P energy: -49.714 tors. eta vs tors. theta energy: -52.480 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: 8, replica: 2 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -680.369921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.369921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.369921 (E_RNA) where: Base-Base interactions energy: -419.426 where: short stacking energy: -223.153 Base-Backbone interact. energy: -3.179 local terms energy: -257.765495 where: bonds (distance) C4'-P energy: -55.846 bonds (distance) P-C4' energy: -62.721 flat angles C4'-P-C4' energy: -70.626 flat angles P-C4'-P energy: -29.673 tors. eta vs tors. theta energy: -38.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -375.605786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.605786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.605786 (E_RNA) where: Base-Base interactions energy: -165.569 where: short stacking energy: -110.629 Base-Backbone interact. energy: -0.538 local terms energy: -209.498996 where: bonds (distance) C4'-P energy: -59.009 bonds (distance) P-C4' energy: -58.523 flat angles C4'-P-C4' energy: -63.885 flat angles P-C4'-P energy: -34.268 tors. eta vs tors. theta energy: 6.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -330.789482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.789482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.789482 (E_RNA) where: Base-Base interactions energy: -108.592 where: short stacking energy: -85.341 Base-Backbone interact. energy: 0.600 local terms energy: -222.797668 where: bonds (distance) C4'-P energy: -60.960 bonds (distance) P-C4' energy: -81.278 flat angles C4'-P-C4' energy: -62.706 flat angles P-C4'-P energy: -27.178 tors. eta vs tors. theta energy: 9.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -1376.657187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.657187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.657187 (E_RNA) where: Base-Base interactions energy: -944.330 where: short stacking energy: -415.672 Base-Backbone interact. energy: 1.327 local terms energy: -433.654852 where: bonds (distance) C4'-P energy: -78.140 bonds (distance) P-C4' energy: -75.591 flat angles C4'-P-C4' energy: -97.149 flat angles P-C4'-P energy: -61.207 tors. eta vs tors. theta energy: -121.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -1382.768260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.768260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.768260 (E_RNA) where: Base-Base interactions energy: -977.076 where: short stacking energy: -406.979 Base-Backbone interact. energy: -1.635 local terms energy: -404.057098 where: bonds (distance) C4'-P energy: -79.757 bonds (distance) P-C4' energy: -76.920 flat angles C4'-P-C4' energy: -71.781 flat angles P-C4'-P energy: -61.750 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: 3, replica: 8 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -1289.269765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.269765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.269765 (E_RNA) where: Base-Base interactions energy: -868.892 where: short stacking energy: -375.772 Base-Backbone interact. energy: -2.501 local terms energy: -417.876705 where: bonds (distance) C4'-P energy: -70.935 bonds (distance) P-C4' energy: -85.645 flat angles C4'-P-C4' energy: -89.229 flat angles P-C4'-P energy: -54.728 tors. eta vs tors. theta energy: -117.340 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: 4, replica: 9 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -1245.581138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.581138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.581138 (E_RNA) where: Base-Base interactions energy: -837.474 where: short stacking energy: -365.896 Base-Backbone interact. energy: -1.637 local terms energy: -406.469496 where: bonds (distance) C4'-P energy: -70.099 bonds (distance) P-C4' energy: -72.906 flat angles C4'-P-C4' energy: -86.416 flat angles P-C4'-P energy: -64.315 tors. eta vs tors. theta energy: -112.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -1133.377158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.377158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.377158 (E_RNA) where: Base-Base interactions energy: -777.968 where: short stacking energy: -325.766 Base-Backbone interact. energy: -2.295 local terms energy: -353.114210 where: bonds (distance) C4'-P energy: -68.308 bonds (distance) P-C4' energy: -73.232 flat angles C4'-P-C4' energy: -84.386 flat angles P-C4'-P energy: -39.893 tors. eta vs tors. theta energy: -87.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -1055.320729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.320729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.320729 (E_RNA) where: Base-Base interactions energy: -681.693 where: short stacking energy: -317.611 Base-Backbone interact. energy: -0.073 local terms energy: -373.555054 where: bonds (distance) C4'-P energy: -80.036 bonds (distance) P-C4' energy: -68.952 flat angles C4'-P-C4' energy: -72.528 flat angles P-C4'-P energy: -52.648 tors. eta vs tors. theta energy: -99.390 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: 5 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -862.284789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.284789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.284789 (E_RNA) where: Base-Base interactions energy: -552.560 where: short stacking energy: -249.215 Base-Backbone interact. energy: -0.631 local terms energy: -309.093236 where: bonds (distance) C4'-P energy: -62.659 bonds (distance) P-C4' energy: -69.179 flat angles C4'-P-C4' energy: -68.712 flat angles P-C4'-P energy: -43.911 tors. eta vs tors. theta energy: -64.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -760.870091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.870091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.870091 (E_RNA) where: Base-Base interactions energy: -475.704 where: short stacking energy: -229.746 Base-Backbone interact. energy: -0.364 local terms energy: -284.802375 where: bonds (distance) C4'-P energy: -64.017 bonds (distance) P-C4' energy: -69.868 flat angles C4'-P-C4' energy: -65.748 flat angles P-C4'-P energy: -41.837 tors. eta vs tors. theta energy: -43.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -421.211779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.211779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.211779 (E_RNA) where: Base-Base interactions energy: -204.331 where: short stacking energy: -99.784 Base-Backbone interact. energy: -1.665 local terms energy: -215.215816 where: bonds (distance) C4'-P energy: -61.687 bonds (distance) P-C4' energy: -78.562 flat angles C4'-P-C4' energy: -59.476 flat angles P-C4'-P energy: -26.404 tors. eta vs tors. theta energy: 10.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -324.659784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.659784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.659784 (E_RNA) where: Base-Base interactions energy: -117.130 where: short stacking energy: -100.133 Base-Backbone interact. energy: 3.086 local terms energy: -210.615379 where: bonds (distance) C4'-P energy: -63.065 bonds (distance) P-C4' energy: -55.731 flat angles C4'-P-C4' energy: -60.993 flat angles P-C4'-P energy: -44.385 tors. eta vs tors. theta energy: 13.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -1390.319245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.319245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.319245 (E_RNA) where: Base-Base interactions energy: -943.094 where: short stacking energy: -403.655 Base-Backbone interact. energy: 0.086 local terms energy: -447.312142 where: bonds (distance) C4'-P energy: -77.500 bonds (distance) P-C4' energy: -89.222 flat angles C4'-P-C4' energy: -98.381 flat angles P-C4'-P energy: -58.465 tors. eta vs tors. theta energy: -123.743 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: 3 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -1363.669445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.669445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.669445 (E_RNA) where: Base-Base interactions energy: -968.919 where: short stacking energy: -399.880 Base-Backbone interact. energy: 1.062 local terms energy: -395.811748 where: bonds (distance) C4'-P energy: -72.958 bonds (distance) P-C4' energy: -71.012 flat angles C4'-P-C4' energy: -88.339 flat angles P-C4'-P energy: -56.619 tors. eta vs tors. theta energy: -106.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -1302.138535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.138535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.138535 (E_RNA) where: Base-Base interactions energy: -878.924 where: short stacking energy: -377.042 Base-Backbone interact. energy: -1.545 local terms energy: -421.669685 where: bonds (distance) C4'-P energy: -72.119 bonds (distance) P-C4' energy: -80.803 flat angles C4'-P-C4' energy: -87.944 flat angles P-C4'-P energy: -59.756 tors. eta vs tors. theta energy: -121.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -1226.511681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.511681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.511681 (E_RNA) where: Base-Base interactions energy: -818.578 where: short stacking energy: -354.700 Base-Backbone interact. energy: -0.839 local terms energy: -407.095117 where: bonds (distance) C4'-P energy: -76.117 bonds (distance) P-C4' energy: -79.382 flat angles C4'-P-C4' energy: -86.120 flat angles P-C4'-P energy: -60.828 tors. eta vs tors. theta energy: -104.647 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: 1 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -1112.137591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.137591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.137591 (E_RNA) where: Base-Base interactions energy: -759.851 where: short stacking energy: -321.660 Base-Backbone interact. energy: -2.534 local terms energy: -349.752439 where: bonds (distance) C4'-P energy: -70.104 bonds (distance) P-C4' energy: -72.506 flat angles C4'-P-C4' energy: -73.316 flat angles P-C4'-P energy: -45.989 tors. eta vs tors. theta energy: -87.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -1063.253920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.253920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.253920 (E_RNA) where: Base-Base interactions energy: -696.250 where: short stacking energy: -314.914 Base-Backbone interact. energy: -0.488 local terms energy: -366.515984 where: bonds (distance) C4'-P energy: -82.122 bonds (distance) P-C4' energy: -71.874 flat angles C4'-P-C4' energy: -81.213 flat angles P-C4'-P energy: -38.741 tors. eta vs tors. theta energy: -92.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -845.087596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.087596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.087596 (E_RNA) where: Base-Base interactions energy: -527.581 where: short stacking energy: -230.792 Base-Backbone interact. energy: -2.585 local terms energy: -314.921561 where: bonds (distance) C4'-P energy: -68.783 bonds (distance) P-C4' energy: -76.421 flat angles C4'-P-C4' energy: -64.236 flat angles P-C4'-P energy: -52.143 tors. eta vs tors. theta energy: -53.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -715.361980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.361980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.361980 (E_RNA) where: Base-Base interactions energy: -417.568 where: short stacking energy: -210.045 Base-Backbone interact. energy: 1.286 local terms energy: -299.080000 where: bonds (distance) C4'-P energy: -82.578 bonds (distance) P-C4' energy: -64.489 flat angles C4'-P-C4' energy: -70.566 flat angles P-C4'-P energy: -39.859 tors. eta vs tors. theta energy: -41.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -485.399962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.399962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.399962 (E_RNA) where: Base-Base interactions energy: -230.697 where: short stacking energy: -125.045 Base-Backbone interact. energy: 0.287 local terms energy: -254.990727 where: bonds (distance) C4'-P energy: -69.867 bonds (distance) P-C4' energy: -58.258 flat angles C4'-P-C4' energy: -70.577 flat angles P-C4'-P energy: -44.589 tors. eta vs tors. theta energy: -11.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -320.904604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.904604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.904604 (E_RNA) where: Base-Base interactions energy: -130.976 where: short stacking energy: -108.537 Base-Backbone interact. energy: 1.809 local terms energy: -191.737687 where: bonds (distance) C4'-P energy: -60.986 bonds (distance) P-C4' energy: -76.868 flat angles C4'-P-C4' energy: -34.453 flat angles P-C4'-P energy: -35.531 tors. eta vs tors. theta energy: 16.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -1422.656521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.656521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.656521 (E_RNA) where: Base-Base interactions energy: -983.419 where: short stacking energy: -392.190 Base-Backbone interact. energy: -2.440 local terms energy: -436.796996 where: bonds (distance) C4'-P energy: -89.097 bonds (distance) P-C4' energy: -85.139 flat angles C4'-P-C4' energy: -88.890 flat angles P-C4'-P energy: -59.928 tors. eta vs tors. theta energy: -113.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -1349.359645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.359645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.359645 (E_RNA) where: Base-Base interactions energy: -902.734 where: short stacking energy: -392.228 Base-Backbone interact. energy: -0.691 local terms energy: -445.935028 where: bonds (distance) C4'-P energy: -84.988 bonds (distance) P-C4' energy: -84.354 flat angles C4'-P-C4' energy: -92.387 flat angles P-C4'-P energy: -62.379 tors. eta vs tors. theta energy: -121.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -1275.703710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.703710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.703710 (E_RNA) where: Base-Base interactions energy: -862.226 where: short stacking energy: -382.843 Base-Backbone interact. energy: -0.308 local terms energy: -413.170095 where: bonds (distance) C4'-P energy: -67.389 bonds (distance) P-C4' energy: -77.610 flat angles C4'-P-C4' energy: -92.278 flat angles P-C4'-P energy: -50.896 tors. eta vs tors. theta energy: -124.998 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: 4, replica: 9 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -1227.880959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.880959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.880959 (E_RNA) where: Base-Base interactions energy: -825.084 where: short stacking energy: -350.484 Base-Backbone interact. energy: -0.714 local terms energy: -402.082540 where: bonds (distance) C4'-P energy: -82.599 bonds (distance) P-C4' energy: -78.035 flat angles C4'-P-C4' energy: -80.957 flat angles P-C4'-P energy: -55.969 tors. eta vs tors. theta energy: -104.522 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: 6 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -1171.932346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.932346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.932346 (E_RNA) where: Base-Base interactions energy: -782.028 where: short stacking energy: -345.369 Base-Backbone interact. energy: -0.593 local terms energy: -389.310827 where: bonds (distance) C4'-P energy: -70.335 bonds (distance) P-C4' energy: -68.996 flat angles C4'-P-C4' energy: -77.341 flat angles P-C4'-P energy: -60.942 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: 6, replica: 1 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -1131.648565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.648565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.648565 (E_RNA) where: Base-Base interactions energy: -739.401 where: short stacking energy: -316.580 Base-Backbone interact. energy: -0.099 local terms energy: -392.149204 where: bonds (distance) C4'-P energy: -73.736 bonds (distance) P-C4' energy: -85.242 flat angles C4'-P-C4' energy: -84.099 flat angles P-C4'-P energy: -60.253 tors. eta vs tors. theta energy: -88.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -846.820479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.820479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.820479 (E_RNA) where: Base-Base interactions energy: -549.678 where: short stacking energy: -255.085 Base-Backbone interact. energy: -1.729 local terms energy: -295.413022 where: bonds (distance) C4'-P energy: -67.036 bonds (distance) P-C4' energy: -68.350 flat angles C4'-P-C4' energy: -69.779 flat angles P-C4'-P energy: -47.169 tors. eta vs tors. theta energy: -43.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -696.369479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.369479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.369479 (E_RNA) where: Base-Base interactions energy: -407.022 where: short stacking energy: -196.382 Base-Backbone interact. energy: -1.080 local terms energy: -288.267387 where: bonds (distance) C4'-P energy: -73.266 bonds (distance) P-C4' energy: -79.588 flat angles C4'-P-C4' energy: -66.258 flat angles P-C4'-P energy: -33.449 tors. eta vs tors. theta energy: -35.706 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: 10 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -480.189405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.189405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.189405 (E_RNA) where: Base-Base interactions energy: -231.994 where: short stacking energy: -128.440 Base-Backbone interact. energy: 1.894 local terms energy: -250.088974 where: bonds (distance) C4'-P energy: -68.612 bonds (distance) P-C4' energy: -67.442 flat angles C4'-P-C4' energy: -59.383 flat angles P-C4'-P energy: -43.116 tors. eta vs tors. theta energy: -11.537 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: 4 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -338.746849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.746849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.746849 (E_RNA) where: Base-Base interactions energy: -122.251 where: short stacking energy: -96.573 Base-Backbone interact. energy: 0.858 local terms energy: -217.353477 where: bonds (distance) C4'-P energy: -63.171 bonds (distance) P-C4' energy: -63.177 flat angles C4'-P-C4' energy: -56.437 flat angles P-C4'-P energy: -47.420 tors. eta vs tors. theta energy: 12.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -1391.427782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.427782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.427782 (E_RNA) where: Base-Base interactions energy: -979.264 where: short stacking energy: -414.815 Base-Backbone interact. energy: 8.207 local terms energy: -420.371274 where: bonds (distance) C4'-P energy: -77.863 bonds (distance) P-C4' energy: -76.078 flat angles C4'-P-C4' energy: -84.335 flat angles P-C4'-P energy: -63.954 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: 2, replica: 7 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -1345.433787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.433787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.433787 (E_RNA) where: Base-Base interactions energy: -924.809 where: short stacking energy: -373.585 Base-Backbone interact. energy: -0.943 local terms energy: -419.681348 where: bonds (distance) C4'-P energy: -83.027 bonds (distance) P-C4' energy: -80.770 flat angles C4'-P-C4' energy: -84.343 flat angles P-C4'-P energy: -50.782 tors. eta vs tors. theta energy: -120.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -1290.107956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.107956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.107956 (E_RNA) where: Base-Base interactions energy: -878.962 where: short stacking energy: -400.936 Base-Backbone interact. energy: -1.675 local terms energy: -409.471115 where: bonds (distance) C4'-P energy: -63.680 bonds (distance) P-C4' energy: -88.378 flat angles C4'-P-C4' energy: -84.690 flat angles P-C4'-P energy: -54.833 tors. eta vs tors. theta energy: -117.890 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: 9 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -1205.792466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.792466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.792466 (E_RNA) where: Base-Base interactions energy: -814.625 where: short stacking energy: -347.094 Base-Backbone interact. energy: -0.289 local terms energy: -390.877806 where: bonds (distance) C4'-P energy: -75.716 bonds (distance) P-C4' energy: -76.757 flat angles C4'-P-C4' energy: -87.664 flat angles P-C4'-P energy: -53.988 tors. eta vs tors. theta energy: -96.753 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: 6 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -1151.688853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.688853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.688853 (E_RNA) where: Base-Base interactions energy: -776.554 where: short stacking energy: -340.186 Base-Backbone interact. energy: -0.323 local terms energy: -374.811704 where: bonds (distance) C4'-P energy: -60.362 bonds (distance) P-C4' energy: -86.586 flat angles C4'-P-C4' energy: -73.753 flat angles P-C4'-P energy: -51.166 tors. eta vs tors. theta energy: -102.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -1062.607472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.607472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.607472 (E_RNA) where: Base-Base interactions energy: -708.277 where: short stacking energy: -310.260 Base-Backbone interact. energy: 2.343 local terms energy: -356.674260 where: bonds (distance) C4'-P energy: -71.810 bonds (distance) P-C4' energy: -66.195 flat angles C4'-P-C4' energy: -81.189 flat angles P-C4'-P energy: -53.349 tors. eta vs tors. theta energy: -84.132 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: 5 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -826.138618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.138618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.138618 (E_RNA) where: Base-Base interactions energy: -521.352 where: short stacking energy: -205.762 Base-Backbone interact. energy: 0.246 local terms energy: -305.032623 where: bonds (distance) C4'-P energy: -61.314 bonds (distance) P-C4' energy: -79.319 flat angles C4'-P-C4' energy: -72.435 flat angles P-C4'-P energy: -53.865 tors. eta vs tors. theta energy: -38.099 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: 2 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -694.903317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.903317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.903317 (E_RNA) where: Base-Base interactions energy: -428.188 where: short stacking energy: -199.700 Base-Backbone interact. energy: -2.731 local terms energy: -263.984865 where: bonds (distance) C4'-P energy: -74.186 bonds (distance) P-C4' energy: -59.507 flat angles C4'-P-C4' energy: -69.914 flat angles P-C4'-P energy: -29.539 tors. eta vs tors. theta energy: -30.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -457.071788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.071788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.071788 (E_RNA) where: Base-Base interactions energy: -210.085 where: short stacking energy: -126.253 Base-Backbone interact. energy: -1.559 local terms energy: -245.428043 where: bonds (distance) C4'-P energy: -68.484 bonds (distance) P-C4' energy: -62.756 flat angles C4'-P-C4' energy: -74.646 flat angles P-C4'-P energy: -33.198 tors. eta vs tors. theta energy: -6.345 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: 4 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -324.916369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.916369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.916369 (E_RNA) where: Base-Base interactions energy: -90.726 where: short stacking energy: -87.637 Base-Backbone interact. energy: -1.719 local terms energy: -232.470981 where: bonds (distance) C4'-P energy: -64.444 bonds (distance) P-C4' energy: -79.605 flat angles C4'-P-C4' energy: -57.708 flat angles P-C4'-P energy: -36.222 tors. eta vs tors. theta energy: 5.508 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: 1, replica: 3 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -1409.570203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.570203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.570203 (E_RNA) where: Base-Base interactions energy: -975.840 where: short stacking energy: -417.029 Base-Backbone interact. energy: 4.740 local terms energy: -438.470294 where: bonds (distance) C4'-P energy: -79.300 bonds (distance) P-C4' energy: -84.152 flat angles C4'-P-C4' energy: -94.028 flat angles P-C4'-P energy: -60.180 tors. eta vs tors. theta energy: -120.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -1395.651714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.651714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.651714 (E_RNA) where: Base-Base interactions energy: -953.526 where: short stacking energy: -393.583 Base-Backbone interact. energy: -0.839 local terms energy: -441.287640 where: bonds (distance) C4'-P energy: -81.909 bonds (distance) P-C4' energy: -81.522 flat angles C4'-P-C4' energy: -98.713 flat angles P-C4'-P energy: -48.814 tors. eta vs tors. theta energy: -130.330 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: 8 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -1323.066600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.066600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.066600 (E_RNA) where: Base-Base interactions energy: -889.645 where: short stacking energy: -397.743 Base-Backbone interact. energy: 4.118 local terms energy: -437.539282 where: bonds (distance) C4'-P energy: -78.124 bonds (distance) P-C4' energy: -74.454 flat angles C4'-P-C4' energy: -94.669 flat angles P-C4'-P energy: -61.456 tors. eta vs tors. theta energy: -128.836 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: 9 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -1192.233086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.233086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.233086 (E_RNA) where: Base-Base interactions energy: -810.897 where: short stacking energy: -325.927 Base-Backbone interact. energy: -2.514 local terms energy: -378.821305 where: bonds (distance) C4'-P energy: -80.276 bonds (distance) P-C4' energy: -75.253 flat angles C4'-P-C4' energy: -75.860 flat angles P-C4'-P energy: -54.926 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: 5, replica: 6 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -1164.332701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.332701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.332701 (E_RNA) where: Base-Base interactions energy: -776.975 where: short stacking energy: -334.725 Base-Backbone interact. energy: -0.913 local terms energy: -386.444796 where: bonds (distance) C4'-P energy: -69.170 bonds (distance) P-C4' energy: -70.206 flat angles C4'-P-C4' energy: -78.403 flat angles P-C4'-P energy: -60.541 tors. eta vs tors. theta energy: -108.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -1069.791331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.791331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.791331 (E_RNA) where: Base-Base interactions energy: -722.103 where: short stacking energy: -309.529 Base-Backbone interact. energy: -1.741 local terms energy: -345.947294 where: bonds (distance) C4'-P energy: -67.550 bonds (distance) P-C4' energy: -73.127 flat angles C4'-P-C4' energy: -72.749 flat angles P-C4'-P energy: -48.053 tors. eta vs tors. theta energy: -84.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -800.660301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.660301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.660301 (E_RNA) where: Base-Base interactions energy: -498.038 where: short stacking energy: -216.818 Base-Backbone interact. energy: 0.878 local terms energy: -303.500033 where: bonds (distance) C4'-P energy: -74.941 bonds (distance) P-C4' energy: -77.642 flat angles C4'-P-C4' energy: -68.551 flat angles P-C4'-P energy: -38.547 tors. eta vs tors. theta energy: -43.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -729.302903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.302903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.302903 (E_RNA) where: Base-Base interactions energy: -430.156 where: short stacking energy: -182.994 Base-Backbone interact. energy: -1.622 local terms energy: -297.524441 where: bonds (distance) C4'-P energy: -73.283 bonds (distance) P-C4' energy: -73.347 flat angles C4'-P-C4' energy: -74.132 flat angles P-C4'-P energy: -44.672 tors. eta vs tors. theta energy: -32.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -360.516179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.516179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.516179 (E_RNA) where: Base-Base interactions energy: -115.568 where: short stacking energy: -110.247 Base-Backbone interact. energy: -0.568 local terms energy: -244.380619 where: bonds (distance) C4'-P energy: -75.337 bonds (distance) P-C4' energy: -72.634 flat angles C4'-P-C4' energy: -59.317 flat angles P-C4'-P energy: -31.997 tors. eta vs tors. theta energy: -5.096 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: 10, replica: 10 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -380.841690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.841690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.841690 (E_RNA) where: Base-Base interactions energy: -158.433 where: short stacking energy: -88.993 Base-Backbone interact. energy: -0.393 local terms energy: -222.015980 where: bonds (distance) C4'-P energy: -62.884 bonds (distance) P-C4' energy: -65.832 flat angles C4'-P-C4' energy: -60.093 flat angles P-C4'-P energy: -46.662 tors. eta vs tors. theta energy: 13.454 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: 483 Temperature: 0.900000 Total energy: -1412.220991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.220991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.220991 (E_RNA) where: Base-Base interactions energy: -992.315 where: short stacking energy: -430.692 Base-Backbone interact. energy: -1.945 local terms energy: -417.961333 where: bonds (distance) C4'-P energy: -77.021 bonds (distance) P-C4' energy: -79.629 flat angles C4'-P-C4' energy: -87.412 flat angles P-C4'-P energy: -50.643 tors. eta vs tors. theta energy: -123.256 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: 7 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -1371.448667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.448667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.448667 (E_RNA) where: Base-Base interactions energy: -947.113 where: short stacking energy: -379.615 Base-Backbone interact. energy: 3.408 local terms energy: -427.743506 where: bonds (distance) C4'-P energy: -82.301 bonds (distance) P-C4' energy: -70.781 flat angles C4'-P-C4' energy: -88.028 flat angles P-C4'-P energy: -63.742 tors. eta vs tors. theta energy: -122.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -1317.587675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.587675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.587675 (E_RNA) where: Base-Base interactions energy: -907.131 where: short stacking energy: -413.584 Base-Backbone interact. energy: -0.517 local terms energy: -409.939388 where: bonds (distance) C4'-P energy: -67.433 bonds (distance) P-C4' energy: -74.046 flat angles C4'-P-C4' energy: -81.232 flat angles P-C4'-P energy: -55.621 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: 4, replica: 9 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -1258.094057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.094057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.094057 (E_RNA) where: Base-Base interactions energy: -848.076 where: short stacking energy: -365.755 Base-Backbone interact. energy: -2.299 local terms energy: -407.718362 where: bonds (distance) C4'-P energy: -69.032 bonds (distance) P-C4' energy: -84.618 flat angles C4'-P-C4' energy: -91.319 flat angles P-C4'-P energy: -61.445 tors. eta vs tors. theta energy: -101.305 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: 6 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -1119.484575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.484575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.484575 (E_RNA) where: Base-Base interactions energy: -745.100 where: short stacking energy: -305.964 Base-Backbone interact. energy: 1.508 local terms energy: -375.891705 where: bonds (distance) C4'-P energy: -68.269 bonds (distance) P-C4' energy: -79.922 flat angles C4'-P-C4' energy: -78.157 flat angles P-C4'-P energy: -57.841 tors. eta vs tors. theta energy: -91.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -1030.939209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.939209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.939209 (E_RNA) where: Base-Base interactions energy: -676.795 where: short stacking energy: -289.344 Base-Backbone interact. energy: 0.924 local terms energy: -355.068049 where: bonds (distance) C4'-P energy: -66.727 bonds (distance) P-C4' energy: -84.275 flat angles C4'-P-C4' energy: -70.160 flat angles P-C4'-P energy: -57.464 tors. eta vs tors. theta energy: -76.442 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: 5 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -842.451428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.451428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.451428 (E_RNA) where: Base-Base interactions energy: -522.494 where: short stacking energy: -213.654 Base-Backbone interact. energy: 2.458 local terms energy: -322.415146 where: bonds (distance) C4'-P energy: -71.542 bonds (distance) P-C4' energy: -71.300 flat angles C4'-P-C4' energy: -82.652 flat angles P-C4'-P energy: -51.502 tors. eta vs tors. theta energy: -45.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -679.593138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.593138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.593138 (E_RNA) where: Base-Base interactions energy: -385.855 where: short stacking energy: -188.612 Base-Backbone interact. energy: -2.526 local terms energy: -291.212709 where: bonds (distance) C4'-P energy: -77.484 bonds (distance) P-C4' energy: -64.875 flat angles C4'-P-C4' energy: -66.903 flat angles P-C4'-P energy: -50.465 tors. eta vs tors. theta energy: -31.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -368.962267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.962267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.962267 (E_RNA) where: Base-Base interactions energy: -144.047 where: short stacking energy: -119.133 Base-Backbone interact. energy: 6.988 local terms energy: -231.902811 where: bonds (distance) C4'-P energy: -69.367 bonds (distance) P-C4' energy: -82.415 flat angles C4'-P-C4' energy: -49.649 flat angles P-C4'-P energy: -27.791 tors. eta vs tors. theta energy: -2.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -434.573238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.573238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.573238 (E_RNA) where: Base-Base interactions energy: -179.439 where: short stacking energy: -118.715 Base-Backbone interact. energy: 0.767 local terms energy: -255.901322 where: bonds (distance) C4'-P energy: -62.876 bonds (distance) P-C4' energy: -68.475 flat angles C4'-P-C4' energy: -73.969 flat angles P-C4'-P energy: -37.846 tors. eta vs tors. theta energy: -12.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -1415.307690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.307690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.307690 (E_RNA) where: Base-Base interactions energy: -988.386 where: short stacking energy: -430.128 Base-Backbone interact. energy: -2.318 local terms energy: -424.603664 where: bonds (distance) C4'-P energy: -79.939 bonds (distance) P-C4' energy: -73.653 flat angles C4'-P-C4' energy: -97.408 flat angles P-C4'-P energy: -52.233 tors. eta vs tors. theta energy: -121.371 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: 2, replica: 7 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -1375.667289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.667289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.667289 (E_RNA) where: Base-Base interactions energy: -927.531 where: short stacking energy: -399.199 Base-Backbone interact. energy: 0.248 local terms energy: -448.384358 where: bonds (distance) C4'-P energy: -88.033 bonds (distance) P-C4' energy: -86.307 flat angles C4'-P-C4' energy: -95.893 flat angles P-C4'-P energy: -56.534 tors. eta vs tors. theta energy: -121.617 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: 8 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -1342.726063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.726063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.726063 (E_RNA) where: Base-Base interactions energy: -908.786 where: short stacking energy: -409.600 Base-Backbone interact. energy: -0.231 local terms energy: -433.709583 where: bonds (distance) C4'-P energy: -87.362 bonds (distance) P-C4' energy: -76.957 flat angles C4'-P-C4' energy: -78.348 flat angles P-C4'-P energy: -57.514 tors. eta vs tors. theta energy: -133.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -1230.008692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.008692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.008692 (E_RNA) where: Base-Base interactions energy: -828.624 where: short stacking energy: -357.766 Base-Backbone interact. energy: -1.614 local terms energy: -399.770574 where: bonds (distance) C4'-P energy: -73.397 bonds (distance) P-C4' energy: -82.905 flat angles C4'-P-C4' energy: -83.648 flat angles P-C4'-P energy: -54.409 tors. eta vs tors. theta energy: -105.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -1158.488229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.488229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.488229 (E_RNA) where: Base-Base interactions energy: -776.848 where: short stacking energy: -339.562 Base-Backbone interact. energy: -0.476 local terms energy: -381.163963 where: bonds (distance) C4'-P energy: -75.014 bonds (distance) P-C4' energy: -68.243 flat angles C4'-P-C4' energy: -80.558 flat angles P-C4'-P energy: -55.082 tors. eta vs tors. theta energy: -102.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -1090.847773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.847773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.847773 (E_RNA) where: Base-Base interactions energy: -746.569 where: short stacking energy: -311.830 Base-Backbone interact. energy: -0.501 local terms energy: -343.777995 where: bonds (distance) C4'-P energy: -67.753 bonds (distance) P-C4' energy: -68.440 flat angles C4'-P-C4' energy: -70.544 flat angles P-C4'-P energy: -46.523 tors. eta vs tors. theta energy: -90.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -856.059264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.059264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.059264 (E_RNA) where: Base-Base interactions energy: -530.455 where: short stacking energy: -269.821 Base-Backbone interact. energy: 2.288 local terms energy: -327.893083 where: bonds (distance) C4'-P energy: -66.152 bonds (distance) P-C4' energy: -71.105 flat angles C4'-P-C4' energy: -81.990 flat angles P-C4'-P energy: -44.714 tors. eta vs tors. theta energy: -63.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -713.872036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.872036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.872036 (E_RNA) where: Base-Base interactions energy: -439.811 where: short stacking energy: -217.192 Base-Backbone interact. energy: -1.521 local terms energy: -272.540809 where: bonds (distance) C4'-P energy: -67.090 bonds (distance) P-C4' energy: -63.570 flat angles C4'-P-C4' energy: -68.123 flat angles P-C4'-P energy: -26.234 tors. eta vs tors. theta energy: -47.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -466.420213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.420213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.420213 (E_RNA) where: Base-Base interactions energy: -205.482 where: short stacking energy: -141.311 Base-Backbone interact. energy: 5.042 local terms energy: -265.981011 where: bonds (distance) C4'-P energy: -67.211 bonds (distance) P-C4' energy: -63.483 flat angles C4'-P-C4' energy: -77.402 flat angles P-C4'-P energy: -44.235 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: 10, replica: 4 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -323.894447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.894447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.894447 (E_RNA) where: Base-Base interactions energy: -105.213 where: short stacking energy: -102.730 Base-Backbone interact. energy: -0.091 local terms energy: -218.590695 where: bonds (distance) C4'-P energy: -75.246 bonds (distance) P-C4' energy: -65.785 flat angles C4'-P-C4' energy: -57.468 flat angles P-C4'-P energy: -37.592 tors. eta vs tors. theta energy: 17.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)