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/Thr-CGU-1-1_ASL-4f507d83/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Thr-CGU-1-1_ASL-4f507d83/inputs/seq.fa: 1 curr_seq: _CCUGUCUCGUAAACAGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CCUGUCUCGUAAACAGG 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 17 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: 90 n_atoms_counter: 90 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 17.000000 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/Thr-CGU-1-1_ASL-4f507d83/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Thr-CGU-1-1_ASL-4f507d83/inputs/seq.fa: 1 curr_seq: _CCUGUCUCGUAAACAGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CCUGUCUCGUAAACAGG 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 17 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: 90 n_atoms_counter: 90 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 17.000000 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/Thr-CGU-1-1_ASL-4f507d83/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Thr-CGU-1-1_ASL-4f507d83/inputs/seq.fa: 1 curr_seq: _CCUGUCUCGUAAACAGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CCUGUCUCGUAAACAGG 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 17 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: 90 n_atoms_counter: 90 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 17.000000 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/Thr-CGU-1-1_ASL-4f507d83/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Thr-CGU-1-1_ASL-4f507d83/inputs/seq.fa: 1 curr_seq: _CCUGUCUCGUAAACAGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CCUGUCUCGUAAACAGG 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 17 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: 90 n_atoms_counter: 90 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 17.000000 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/Thr-CGU-1-1_ASL-4f507d83/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Thr-CGU-1-1_ASL-4f507d83/inputs/seq.fa: 1 curr_seq: _CCUGUCUCGUAAACAGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CCUGUCUCGUAAACAGG 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 17 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: 90 n_atoms_counter: 90 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 17.000000 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/Thr-CGU-1-1_ASL-4f507d83/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Thr-CGU-1-1_ASL-4f507d83/inputs/seq.fa: 1 curr_seq: _CCUGUCUCGUAAACAGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CCUGUCUCGUAAACAGG 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 17 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: 90 n_atoms_counter: 90 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 17.000000 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/Thr-CGU-1-1_ASL-4f507d83/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Thr-CGU-1-1_ASL-4f507d83/inputs/seq.fa: 1 curr_seq: _CCUGUCUCGUAAACAGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CCUGUCUCGUAAACAGG 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 17 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: 90 n_atoms_counter: 90 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 17.000000 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/Thr-CGU-1-1_ASL-4f507d83/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Thr-CGU-1-1_ASL-4f507d83/inputs/seq.fa: 1 curr_seq: _CCUGUCUCGUAAACAGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CCUGUCUCGUAAACAGG 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 17 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: 90 n_atoms_counter: 90 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 17.000000 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/Thr-CGU-1-1_ASL-4f507d83/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Thr-CGU-1-1_ASL-4f507d83/inputs/seq.fa: 1 curr_seq: _CCUGUCUCGUAAACAGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CCUGUCUCGUAAACAGG 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 17 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: 90 n_atoms_counter: 90 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 17.000000 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/Thr-CGU-1-1_ASL-4f507d83/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Thr-CGU-1-1_ASL-4f507d83/inputs/seq.fa: 1 curr_seq: _CCUGUCUCGUAAACAGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CCUGUCUCGUAAACAGG 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 17 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: 90 n_atoms_counter: 90 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 17.000000 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: -59.711044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.711044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.711044 (E_RNA) where: Base-Base interactions energy: 0.400 where: short stacking energy: 0.400 Base-Backbone interact. energy: -0.000 local terms energy: -60.111007 where: bonds (distance) C4'-P energy: -16.517 bonds (distance) P-C4' energy: -16.104 flat angles C4'-P-C4' energy: -12.482 flat angles P-C4'-P energy: -14.278 tors. eta vs tors. theta energy: -0.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -59.711044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.711044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.711044 (E_RNA) where: Base-Base interactions energy: 0.400 where: short stacking energy: 0.400 Base-Backbone interact. energy: -0.000 local terms energy: -60.111007 where: bonds (distance) C4'-P energy: -16.517 bonds (distance) P-C4' energy: -16.104 flat angles C4'-P-C4' energy: -12.482 flat angles P-C4'-P energy: -14.278 tors. eta vs tors. theta energy: -0.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -59.711044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.711044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.711044 (E_RNA) where: Base-Base interactions energy: 0.400 where: short stacking energy: 0.400 Base-Backbone interact. energy: -0.000 local terms energy: -60.111007 where: bonds (distance) C4'-P energy: -16.517 bonds (distance) P-C4' energy: -16.104 flat angles C4'-P-C4' energy: -12.482 flat angles P-C4'-P energy: -14.278 tors. eta vs tors. theta energy: -0.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -59.711044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.711044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.711044 (E_RNA) where: Base-Base interactions energy: 0.400 where: short stacking energy: 0.400 Base-Backbone interact. energy: -0.000 local terms energy: -60.111007 where: bonds (distance) C4'-P energy: -16.517 bonds (distance) P-C4' energy: -16.104 flat angles C4'-P-C4' energy: -12.482 flat angles P-C4'-P energy: -14.278 tors. eta vs tors. theta energy: -0.731 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: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -59.711044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.711044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.711044 (E_RNA) where: Base-Base interactions energy: 0.400 where: short stacking energy: 0.400 Base-Backbone interact. energy: -0.000 local terms energy: -60.111007 where: bonds (distance) C4'-P energy: -16.517 bonds (distance) P-C4' energy: -16.104 flat angles C4'-P-C4' energy: -12.482 flat angles P-C4'-P energy: -14.278 tors. eta vs tors. theta energy: -0.731 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: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -59.711044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.711044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.711044 (E_RNA) where: Base-Base interactions energy: 0.400 where: short stacking energy: 0.400 Base-Backbone interact. energy: -0.000 local terms energy: -60.111007 where: bonds (distance) C4'-P energy: -16.517 bonds (distance) P-C4' energy: -16.104 flat angles C4'-P-C4' energy: -12.482 flat angles P-C4'-P energy: -14.278 tors. eta vs tors. theta energy: -0.731 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: 1 Temperature: 1.200000 Total energy: -59.711044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.711044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.711044 (E_RNA) where: Base-Base interactions energy: 0.400 where: short stacking energy: 0.400 Base-Backbone interact. energy: -0.000 local terms energy: -60.111007 where: bonds (distance) C4'-P energy: -16.517 bonds (distance) P-C4' energy: -16.104 flat angles C4'-P-C4' energy: -12.482 flat angles P-C4'-P energy: -14.278 tors. eta vs tors. theta energy: -0.731 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: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -59.711044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.711044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.711044 (E_RNA) where: Base-Base interactions energy: 0.400 where: short stacking energy: 0.400 Base-Backbone interact. energy: -0.000 local terms energy: -60.111007 where: bonds (distance) C4'-P energy: -16.517 bonds (distance) P-C4' energy: -16.104 flat angles C4'-P-C4' energy: -12.482 flat angles P-C4'-P energy: -14.278 tors. eta vs tors. theta energy: -0.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -59.711044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.711044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.711044 (E_RNA) where: Base-Base interactions energy: 0.400 where: short stacking energy: 0.400 Base-Backbone interact. energy: -0.000 local terms energy: -60.111007 where: bonds (distance) C4'-P energy: -16.517 bonds (distance) P-C4' energy: -16.104 flat angles C4'-P-C4' energy: -12.482 flat angles P-C4'-P energy: -14.278 tors. eta vs tors. theta energy: -0.731 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: 1 Temperature: 1.350000 Total energy: -59.711044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.711044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.711044 (E_RNA) where: Base-Base interactions energy: 0.400 where: short stacking energy: 0.400 Base-Backbone interact. energy: -0.000 local terms energy: -60.111007 where: bonds (distance) C4'-P energy: -16.517 bonds (distance) P-C4' energy: -16.104 flat angles C4'-P-C4' energy: -12.482 flat angles P-C4'-P energy: -14.278 tors. eta vs tors. theta energy: -0.731 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: 2 Temperature: 0.900000 Total energy: -123.099597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.099597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.099597 (E_RNA) where: Base-Base interactions energy: -69.093 where: short stacking energy: -40.192 Base-Backbone interact. energy: -1.100 local terms energy: -52.905778 where: bonds (distance) C4'-P energy: -12.999 bonds (distance) P-C4' energy: -12.616 flat angles C4'-P-C4' energy: -13.397 flat angles P-C4'-P energy: -5.955 tors. eta vs tors. theta energy: -7.939 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: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -109.485049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.485049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.485049 (E_RNA) where: Base-Base interactions energy: -50.412 where: short stacking energy: -50.405 Base-Backbone interact. energy: -0.013 local terms energy: -59.060230 where: bonds (distance) C4'-P energy: -11.860 bonds (distance) P-C4' energy: -13.597 flat angles C4'-P-C4' energy: -14.887 flat angles P-C4'-P energy: -4.561 tors. eta vs tors. theta energy: -14.155 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: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -93.734074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.734074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.734074 (E_RNA) where: Base-Base interactions energy: -47.202 where: short stacking energy: -26.891 Base-Backbone interact. energy: -0.053 local terms energy: -46.479342 where: bonds (distance) C4'-P energy: -12.014 bonds (distance) P-C4' energy: -14.284 flat angles C4'-P-C4' energy: -11.767 flat angles P-C4'-P energy: -7.888 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: 4, replica: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -98.577671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.577671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.577671 (E_RNA) where: Base-Base interactions energy: -42.806 where: short stacking energy: -42.806 Base-Backbone interact. energy: -0.130 local terms energy: -55.641991 where: bonds (distance) C4'-P energy: -11.570 bonds (distance) P-C4' energy: -13.966 flat angles C4'-P-C4' energy: -11.603 flat angles P-C4'-P energy: -7.939 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: 5, replica: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -91.806895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.806895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.806895 (E_RNA) where: Base-Base interactions energy: -35.015 where: short stacking energy: -30.097 Base-Backbone interact. energy: -0.012 local terms energy: -56.779363 where: bonds (distance) C4'-P energy: -12.390 bonds (distance) P-C4' energy: -12.800 flat angles C4'-P-C4' energy: -11.003 flat angles P-C4'-P energy: -8.401 tors. eta vs tors. theta energy: -12.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -81.053723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.053723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.053723 (E_RNA) where: Base-Base interactions energy: -28.332 where: short stacking energy: -28.332 Base-Backbone interact. energy: -0.007 local terms energy: -52.714623 where: bonds (distance) C4'-P energy: -9.876 bonds (distance) P-C4' energy: -13.836 flat angles C4'-P-C4' energy: -9.684 flat angles P-C4'-P energy: -10.712 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: 7, replica: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -83.844780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.844780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.844780 (E_RNA) where: Base-Base interactions energy: -43.470 where: short stacking energy: -21.076 Base-Backbone interact. energy: -0.937 local terms energy: -39.437317 where: bonds (distance) C4'-P energy: -11.478 bonds (distance) P-C4' energy: -12.793 flat angles C4'-P-C4' energy: -11.222 flat angles P-C4'-P energy: -6.808 tors. eta vs tors. theta energy: 2.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -70.265523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.265523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.265523 (E_RNA) where: Base-Base interactions energy: -29.491 where: short stacking energy: -29.491 Base-Backbone interact. energy: 0.598 local terms energy: -41.372498 where: bonds (distance) C4'-P energy: -9.348 bonds (distance) P-C4' energy: -12.156 flat angles C4'-P-C4' energy: -3.586 flat angles P-C4'-P energy: -8.457 tors. eta vs tors. theta energy: -7.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -68.108594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.108594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.108594 (E_RNA) where: Base-Base interactions energy: -28.669 where: short stacking energy: -28.669 Base-Backbone interact. energy: -0.114 local terms energy: -39.325215 where: bonds (distance) C4'-P energy: -9.980 bonds (distance) P-C4' energy: -11.763 flat angles C4'-P-C4' energy: -6.003 flat angles P-C4'-P energy: -8.686 tors. eta vs tors. theta energy: -2.892 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: 2 Temperature: 1.350000 Total energy: -84.320400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.320400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.320400 (E_RNA) where: Base-Base interactions energy: -43.468 where: short stacking energy: -21.174 Base-Backbone interact. energy: -0.029 local terms energy: -40.823158 where: bonds (distance) C4'-P energy: -11.520 bonds (distance) P-C4' energy: -14.621 flat angles C4'-P-C4' energy: -6.429 flat angles P-C4'-P energy: -5.576 tors. eta vs tors. theta energy: -2.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -131.250692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.250692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.250692 (E_RNA) where: Base-Base interactions energy: -79.404 where: short stacking energy: -40.642 Base-Backbone interact. energy: -0.424 local terms energy: -51.422691 where: bonds (distance) C4'-P energy: -14.236 bonds (distance) P-C4' energy: -12.070 flat angles C4'-P-C4' energy: -10.447 flat angles P-C4'-P energy: -8.875 tors. eta vs tors. theta energy: -5.795 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: 2, replica: 2 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -101.173517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.173517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.173517 (E_RNA) where: Base-Base interactions energy: -44.245 where: short stacking energy: -43.841 Base-Backbone interact. energy: -0.115 local terms energy: -56.813048 where: bonds (distance) C4'-P energy: -13.930 bonds (distance) P-C4' energy: -9.281 flat angles C4'-P-C4' energy: -13.815 flat angles P-C4'-P energy: -7.888 tors. eta vs tors. theta energy: -11.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -106.886537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.886537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.886537 (E_RNA) where: Base-Base interactions energy: -51.119 where: short stacking energy: -42.063 Base-Backbone interact. energy: -0.366 local terms energy: -55.401171 where: bonds (distance) C4'-P energy: -8.800 bonds (distance) P-C4' energy: -13.339 flat angles C4'-P-C4' energy: -13.918 flat angles P-C4'-P energy: -7.222 tors. eta vs tors. theta energy: -12.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -108.472206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.472206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.472206 (E_RNA) where: Base-Base interactions energy: -47.593 where: short stacking energy: -39.711 Base-Backbone interact. energy: -0.036 local terms energy: -60.842752 where: bonds (distance) C4'-P energy: -12.575 bonds (distance) P-C4' energy: -13.318 flat angles C4'-P-C4' energy: -13.762 flat angles P-C4'-P energy: -8.584 tors. eta vs tors. theta energy: -12.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -77.850117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.850117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.850117 (E_RNA) where: Base-Base interactions energy: -27.302 where: short stacking energy: -27.302 Base-Backbone interact. energy: -0.543 local terms energy: -50.005725 where: bonds (distance) C4'-P energy: -13.019 bonds (distance) P-C4' energy: -9.960 flat angles C4'-P-C4' energy: -11.806 flat angles P-C4'-P energy: -9.117 tors. eta vs tors. theta energy: -6.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -91.325106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.325106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.325106 (E_RNA) where: Base-Base interactions energy: -57.370 where: short stacking energy: -20.450 Base-Backbone interact. energy: -0.455 local terms energy: -33.500171 where: bonds (distance) C4'-P energy: -5.786 bonds (distance) P-C4' energy: -9.175 flat angles C4'-P-C4' energy: -10.360 flat angles P-C4'-P energy: -7.963 tors. eta vs tors. theta energy: -0.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -89.181165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.181165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.181165 (E_RNA) where: Base-Base interactions energy: -47.274 where: short stacking energy: -24.977 Base-Backbone interact. energy: -0.213 local terms energy: -41.693823 where: bonds (distance) C4'-P energy: -7.960 bonds (distance) P-C4' energy: -11.252 flat angles C4'-P-C4' energy: -11.264 flat angles P-C4'-P energy: -7.059 tors. eta vs tors. theta energy: -4.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -90.206981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.206981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.206981 (E_RNA) where: Base-Base interactions energy: -53.932 where: short stacking energy: -21.079 Base-Backbone interact. energy: -0.315 local terms energy: -35.959224 where: bonds (distance) C4'-P energy: -8.576 bonds (distance) P-C4' energy: -10.823 flat angles C4'-P-C4' energy: -10.136 flat angles P-C4'-P energy: -4.074 tors. eta vs tors. theta energy: -2.350 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: 8 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -72.862663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.862663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.862663 (E_RNA) where: Base-Base interactions energy: -32.217 where: short stacking energy: -29.079 Base-Backbone interact. energy: -0.723 local terms energy: -39.922435 where: bonds (distance) C4'-P energy: -6.983 bonds (distance) P-C4' energy: -11.780 flat angles C4'-P-C4' energy: -11.737 flat angles P-C4'-P energy: -6.587 tors. eta vs tors. theta energy: -2.834 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: 3 Temperature: 1.350000 Total energy: -66.242435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.242435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.242435 (E_RNA) where: Base-Base interactions energy: -26.113 where: short stacking energy: -24.685 Base-Backbone interact. energy: -0.145 local terms energy: -39.985157 where: bonds (distance) C4'-P energy: -9.696 bonds (distance) P-C4' energy: -10.362 flat angles C4'-P-C4' energy: -9.759 flat angles P-C4'-P energy: -6.154 tors. eta vs tors. theta energy: -4.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -137.236807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.236807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.236807 (E_RNA) where: Base-Base interactions energy: -88.858 where: short stacking energy: -36.347 Base-Backbone interact. energy: -0.245 local terms energy: -48.133853 where: bonds (distance) C4'-P energy: -13.619 bonds (distance) P-C4' energy: -12.610 flat angles C4'-P-C4' energy: -9.177 flat angles P-C4'-P energy: -6.836 tors. eta vs tors. theta energy: -5.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -108.479327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.479327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.479327 (E_RNA) where: Base-Base interactions energy: -49.727 where: short stacking energy: -49.727 Base-Backbone interact. energy: -0.000 local terms energy: -58.752365 where: bonds (distance) C4'-P energy: -13.558 bonds (distance) P-C4' energy: -11.520 flat angles C4'-P-C4' energy: -10.322 flat angles P-C4'-P energy: -10.681 tors. eta vs tors. theta energy: -12.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -95.275513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.275513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.275513 (E_RNA) where: Base-Base interactions energy: -41.315 where: short stacking energy: -33.353 Base-Backbone interact. energy: -0.197 local terms energy: -53.763233 where: bonds (distance) C4'-P energy: -11.818 bonds (distance) P-C4' energy: -12.174 flat angles C4'-P-C4' energy: -15.029 flat angles P-C4'-P energy: -9.664 tors. eta vs tors. theta energy: -5.078 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: 3 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -94.128772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.128772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.128772 (E_RNA) where: Base-Base interactions energy: -37.446 where: short stacking energy: -37.754 Base-Backbone interact. energy: -0.001 local terms energy: -56.681914 where: bonds (distance) C4'-P energy: -12.386 bonds (distance) P-C4' energy: -14.882 flat angles C4'-P-C4' energy: -14.921 flat angles P-C4'-P energy: -5.434 tors. eta vs tors. theta energy: -9.058 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: 7 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -89.328588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.328588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.328588 (E_RNA) where: Base-Base interactions energy: -41.356 where: short stacking energy: -30.687 Base-Backbone interact. energy: -0.113 local terms energy: -47.859772 where: bonds (distance) C4'-P energy: -12.460 bonds (distance) P-C4' energy: -9.809 flat angles C4'-P-C4' energy: -11.632 flat angles P-C4'-P energy: -8.210 tors. eta vs tors. theta energy: -5.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -81.409771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.409771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.409771 (E_RNA) where: Base-Base interactions energy: -43.165 where: short stacking energy: -27.288 Base-Backbone interact. energy: -0.066 local terms energy: -38.178892 where: bonds (distance) C4'-P energy: -10.991 bonds (distance) P-C4' energy: -7.590 flat angles C4'-P-C4' energy: -8.888 flat angles P-C4'-P energy: -4.384 tors. eta vs tors. theta energy: -6.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -139.072000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.072000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.072000 (E_RNA) where: Base-Base interactions energy: -89.460 where: short stacking energy: -37.873 Base-Backbone interact. energy: -0.336 local terms energy: -49.275881 where: bonds (distance) C4'-P energy: -13.434 bonds (distance) P-C4' energy: -12.115 flat angles C4'-P-C4' energy: -10.940 flat angles P-C4'-P energy: -6.099 tors. eta vs tors. theta energy: -6.687 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: 6 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -77.430826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.430826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.430826 (E_RNA) where: Base-Base interactions energy: -28.292 where: short stacking energy: -28.292 Base-Backbone interact. energy: -0.006 local terms energy: -49.132876 where: bonds (distance) C4'-P energy: -12.767 bonds (distance) P-C4' energy: -13.824 flat angles C4'-P-C4' energy: -10.923 flat angles P-C4'-P energy: -7.326 tors. eta vs tors. theta energy: -4.292 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: 10 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -82.713522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.713522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.713522 (E_RNA) where: Base-Base interactions energy: -32.132 where: short stacking energy: -31.447 Base-Backbone interact. energy: -0.011 local terms energy: -50.570426 where: bonds (distance) C4'-P energy: -13.462 bonds (distance) P-C4' energy: -11.560 flat angles C4'-P-C4' energy: -13.557 flat angles P-C4'-P energy: -7.788 tors. eta vs tors. theta energy: -4.204 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: 8 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -75.679074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.679074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.679074 (E_RNA) where: Base-Base interactions energy: -41.099 where: short stacking energy: -22.032 Base-Backbone interact. energy: -0.084 local terms energy: -34.495859 where: bonds (distance) C4'-P energy: -7.841 bonds (distance) P-C4' energy: -12.681 flat angles C4'-P-C4' energy: -10.374 flat angles P-C4'-P energy: -7.753 tors. eta vs tors. theta energy: 4.153 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: 1 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -133.901017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.901017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.901017 (E_RNA) where: Base-Base interactions energy: -82.832 where: short stacking energy: -44.317 Base-Backbone interact. energy: -0.166 local terms energy: -50.903301 where: bonds (distance) C4'-P energy: -13.462 bonds (distance) P-C4' energy: -9.602 flat angles C4'-P-C4' energy: -12.865 flat angles P-C4'-P energy: -9.295 tors. eta vs tors. theta energy: -5.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -104.700900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.700900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.700900 (E_RNA) where: Base-Base interactions energy: -48.215 where: short stacking energy: -35.642 Base-Backbone interact. energy: -0.129 local terms energy: -56.356785 where: bonds (distance) C4'-P energy: -13.872 bonds (distance) P-C4' energy: -11.880 flat angles C4'-P-C4' energy: -12.055 flat angles P-C4'-P energy: -9.903 tors. eta vs tors. theta energy: -8.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -90.945201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.945201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.945201 (E_RNA) where: Base-Base interactions energy: -38.960 where: short stacking energy: -38.510 Base-Backbone interact. energy: -0.141 local terms energy: -51.843686 where: bonds (distance) C4'-P energy: -10.953 bonds (distance) P-C4' energy: -12.289 flat angles C4'-P-C4' energy: -11.297 flat angles P-C4'-P energy: -6.842 tors. eta vs tors. theta energy: -10.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -88.646749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.646749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.646749 (E_RNA) where: Base-Base interactions energy: -44.743 where: short stacking energy: -33.786 Base-Backbone interact. energy: -0.019 local terms energy: -43.884847 where: bonds (distance) C4'-P energy: -10.593 bonds (distance) P-C4' energy: -11.065 flat angles C4'-P-C4' energy: -12.249 flat angles P-C4'-P energy: -9.219 tors. eta vs tors. theta energy: -0.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -75.161783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.161783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.161783 (E_RNA) where: Base-Base interactions energy: -32.126 where: short stacking energy: -29.219 Base-Backbone interact. energy: -0.114 local terms energy: -42.921300 where: bonds (distance) C4'-P energy: -10.824 bonds (distance) P-C4' energy: -12.278 flat angles C4'-P-C4' energy: -13.250 flat angles P-C4'-P energy: -0.732 tors. eta vs tors. theta energy: -5.837 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: 9 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -164.522002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.522002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.522002 (E_RNA) where: Base-Base interactions energy: -115.411 where: short stacking energy: -42.361 Base-Backbone interact. energy: -1.377 local terms energy: -47.734163 where: bonds (distance) C4'-P energy: -11.101 bonds (distance) P-C4' energy: -9.225 flat angles C4'-P-C4' energy: -11.663 flat angles P-C4'-P energy: -11.707 tors. eta vs tors. theta energy: -4.038 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: 4 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -82.576266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.576266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.576266 (E_RNA) where: Base-Base interactions energy: -32.039 where: short stacking energy: -21.436 Base-Backbone interact. energy: -0.207 local terms energy: -50.330265 where: bonds (distance) C4'-P energy: -12.837 bonds (distance) P-C4' energy: -14.864 flat angles C4'-P-C4' energy: -10.102 flat angles P-C4'-P energy: -9.119 tors. eta vs tors. theta energy: -3.408 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: 8, replica: 10 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -78.988844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.988844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.988844 (E_RNA) where: Base-Base interactions energy: -37.083 where: short stacking energy: -23.519 Base-Backbone interact. energy: -0.193 local terms energy: -41.713023 where: bonds (distance) C4'-P energy: -8.825 bonds (distance) P-C4' energy: -10.402 flat angles C4'-P-C4' energy: -10.143 flat angles P-C4'-P energy: -10.956 tors. eta vs tors. theta energy: -1.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -64.431404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.431404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.431404 (E_RNA) where: Base-Base interactions energy: -19.693 where: short stacking energy: -19.693 Base-Backbone interact. energy: -0.297 local terms energy: -44.441313 where: bonds (distance) C4'-P energy: -10.034 bonds (distance) P-C4' energy: -14.879 flat angles C4'-P-C4' energy: -10.006 flat angles P-C4'-P energy: -9.804 tors. eta vs tors. theta energy: 0.282 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: 8 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -60.388231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.388231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.388231 (E_RNA) where: Base-Base interactions energy: -20.033 where: short stacking energy: -20.033 Base-Backbone interact. energy: -0.182 local terms energy: -40.173698 where: bonds (distance) C4'-P energy: -12.547 bonds (distance) P-C4' energy: -9.915 flat angles C4'-P-C4' energy: -10.263 flat angles P-C4'-P energy: -6.555 tors. eta vs tors. theta energy: -0.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -121.111162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.111162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.111162 (E_RNA) where: Base-Base interactions energy: -58.695 where: short stacking energy: -44.798 Base-Backbone interact. energy: -0.066 local terms energy: -62.350655 where: bonds (distance) C4'-P energy: -12.731 bonds (distance) P-C4' energy: -15.118 flat angles C4'-P-C4' energy: -13.213 flat angles P-C4'-P energy: -8.968 tors. eta vs tors. theta energy: -12.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -139.734134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.734134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.734134 (E_RNA) where: Base-Base interactions energy: -89.769 where: short stacking energy: -44.021 Base-Backbone interact. energy: -0.163 local terms energy: -49.802488 where: bonds (distance) C4'-P energy: -13.010 bonds (distance) P-C4' energy: -13.895 flat angles C4'-P-C4' energy: -9.314 flat angles P-C4'-P energy: -8.669 tors. eta vs tors. theta energy: -4.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -92.912115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.912115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.912115 (E_RNA) where: Base-Base interactions energy: -44.525 where: short stacking energy: -44.525 Base-Backbone interact. energy: 0.197 local terms energy: -48.584714 where: bonds (distance) C4'-P energy: -10.851 bonds (distance) P-C4' energy: -14.019 flat angles C4'-P-C4' energy: -6.998 flat angles P-C4'-P energy: -7.322 tors. eta vs tors. theta energy: -9.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -150.904255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.904255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.904255 (E_RNA) where: Base-Base interactions energy: -95.077 where: short stacking energy: -53.621 Base-Backbone interact. energy: -0.084 local terms energy: -55.743251 where: bonds (distance) C4'-P energy: -10.443 bonds (distance) P-C4' energy: -8.778 flat angles C4'-P-C4' energy: -14.909 flat angles P-C4'-P energy: -10.550 tors. eta vs tors. theta energy: -11.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -171.585303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.585303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.585303 (E_RNA) where: Base-Base interactions energy: -115.437 where: short stacking energy: -45.945 Base-Backbone interact. energy: -0.079 local terms energy: -56.069548 where: bonds (distance) C4'-P energy: -10.435 bonds (distance) P-C4' energy: -13.994 flat angles C4'-P-C4' energy: -11.506 flat angles P-C4'-P energy: -6.685 tors. eta vs tors. theta energy: -13.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -87.160794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.160794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.160794 (E_RNA) where: Base-Base interactions energy: -38.029 where: short stacking energy: -38.029 Base-Backbone interact. energy: -0.005 local terms energy: -49.126218 where: bonds (distance) C4'-P energy: -10.284 bonds (distance) P-C4' energy: -13.314 flat angles C4'-P-C4' energy: -11.163 flat angles P-C4'-P energy: -7.280 tors. eta vs tors. theta energy: -7.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -78.784569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.784569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.784569 (E_RNA) where: Base-Base interactions energy: -28.126 where: short stacking energy: -28.126 Base-Backbone interact. energy: -0.121 local terms energy: -50.537225 where: bonds (distance) C4'-P energy: -12.175 bonds (distance) P-C4' energy: -13.351 flat angles C4'-P-C4' energy: -11.461 flat angles P-C4'-P energy: -6.909 tors. eta vs tors. theta energy: -6.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -79.555968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.555968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.555968 (E_RNA) where: Base-Base interactions energy: -25.950 where: short stacking energy: -25.280 Base-Backbone interact. energy: 0.053 local terms energy: -53.658572 where: bonds (distance) C4'-P energy: -14.662 bonds (distance) P-C4' energy: -9.552 flat angles C4'-P-C4' energy: -11.543 flat angles P-C4'-P energy: -9.359 tors. eta vs tors. theta energy: -8.542 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: 8 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -72.072016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.072016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.072016 (E_RNA) where: Base-Base interactions energy: -36.786 where: short stacking energy: -10.325 Base-Backbone interact. energy: -0.384 local terms energy: -34.902162 where: bonds (distance) C4'-P energy: -8.056 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -10.401 flat angles P-C4'-P energy: -10.424 tors. eta vs tors. theta energy: 0.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -71.820178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.820178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.820178 (E_RNA) where: Base-Base interactions energy: -36.135 where: short stacking energy: -26.404 Base-Backbone interact. energy: 1.630 local terms energy: -37.315359 where: bonds (distance) C4'-P energy: -11.124 bonds (distance) P-C4' energy: -8.806 flat angles C4'-P-C4' energy: -11.151 flat angles P-C4'-P energy: -4.395 tors. eta vs tors. theta energy: -1.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -125.924111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.924111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.924111 (E_RNA) where: Base-Base interactions energy: -70.578 where: short stacking energy: -52.265 Base-Backbone interact. energy: -0.014 local terms energy: -55.332430 where: bonds (distance) C4'-P energy: -12.399 bonds (distance) P-C4' energy: -13.871 flat angles C4'-P-C4' energy: -9.583 flat angles P-C4'-P energy: -8.137 tors. eta vs tors. theta energy: -11.343 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: 1 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -159.844352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.844352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.844352 (E_RNA) where: Base-Base interactions energy: -99.704 where: short stacking energy: -56.371 Base-Backbone interact. energy: -0.336 local terms energy: -59.804454 where: bonds (distance) C4'-P energy: -9.193 bonds (distance) P-C4' energy: -13.321 flat angles C4'-P-C4' energy: -13.133 flat angles P-C4'-P energy: -9.742 tors. eta vs tors. theta energy: -14.416 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: 7 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -113.627735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.627735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.627735 (E_RNA) where: Base-Base interactions energy: -59.544 where: short stacking energy: -31.606 Base-Backbone interact. energy: -0.196 local terms energy: -53.888138 where: bonds (distance) C4'-P energy: -14.082 bonds (distance) P-C4' energy: -14.181 flat angles C4'-P-C4' energy: -11.547 flat angles P-C4'-P energy: -5.821 tors. eta vs tors. theta energy: -8.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -185.554667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.554667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.554667 (E_RNA) where: Base-Base interactions energy: -127.105 where: short stacking energy: -50.883 Base-Backbone interact. energy: -0.113 local terms energy: -58.336602 where: bonds (distance) C4'-P energy: -11.380 bonds (distance) P-C4' energy: -11.783 flat angles C4'-P-C4' energy: -13.057 flat angles P-C4'-P energy: -9.046 tors. eta vs tors. theta energy: -13.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -139.504010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.504010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.504010 (E_RNA) where: Base-Base interactions energy: -86.380 where: short stacking energy: -44.723 Base-Backbone interact. energy: -0.383 local terms energy: -52.740874 where: bonds (distance) C4'-P energy: -8.163 bonds (distance) P-C4' energy: -13.332 flat angles C4'-P-C4' energy: -11.627 flat angles P-C4'-P energy: -7.281 tors. eta vs tors. theta energy: -12.337 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: 10 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -81.127718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.127718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.127718 (E_RNA) where: Base-Base interactions energy: -36.296 where: short stacking energy: -25.443 Base-Backbone interact. energy: -0.089 local terms energy: -44.742841 where: bonds (distance) C4'-P energy: -11.205 bonds (distance) P-C4' energy: -9.971 flat angles C4'-P-C4' energy: -12.264 flat angles P-C4'-P energy: -8.540 tors. eta vs tors. theta energy: -2.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -74.727690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.727690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.727690 (E_RNA) where: Base-Base interactions energy: -33.278 where: short stacking energy: -24.811 Base-Backbone interact. energy: -0.118 local terms energy: -41.332270 where: bonds (distance) C4'-P energy: -9.252 bonds (distance) P-C4' energy: -9.984 flat angles C4'-P-C4' energy: -12.952 flat angles P-C4'-P energy: -9.720 tors. eta vs tors. theta energy: 0.576 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: 8, replica: 8 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -89.500515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.500515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.500515 (E_RNA) where: Base-Base interactions energy: -46.917 where: short stacking energy: -17.795 Base-Backbone interact. energy: -0.111 local terms energy: -42.471864 where: bonds (distance) C4'-P energy: -13.809 bonds (distance) P-C4' energy: -11.811 flat angles C4'-P-C4' energy: -9.971 flat angles P-C4'-P energy: -6.231 tors. eta vs tors. theta energy: -0.649 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: 7 Temperature: 1.300000 Total energy: -64.552822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.552822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.552822 (E_RNA) where: Base-Base interactions energy: -29.990 where: short stacking energy: -19.650 Base-Backbone interact. energy: -0.021 local terms energy: -34.541714 where: bonds (distance) C4'-P energy: -10.684 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -8.499 flat angles P-C4'-P energy: -8.094 tors. eta vs tors. theta energy: 0.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -67.112084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.112084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.112084 (E_RNA) where: Base-Base interactions energy: -24.551 where: short stacking energy: -24.751 Base-Backbone interact. energy: -0.169 local terms energy: -42.392071 where: bonds (distance) C4'-P energy: -11.186 bonds (distance) P-C4' energy: -12.433 flat angles C4'-P-C4' energy: -7.703 flat angles P-C4'-P energy: -7.845 tors. eta vs tors. theta energy: -3.224 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: 1 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -167.421366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.421366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.421366 (E_RNA) where: Base-Base interactions energy: -101.450 where: short stacking energy: -58.920 Base-Backbone interact. energy: -0.047 local terms energy: -65.924529 where: bonds (distance) C4'-P energy: -13.408 bonds (distance) P-C4' energy: -15.581 flat angles C4'-P-C4' energy: -14.008 flat angles P-C4'-P energy: -6.728 tors. eta vs tors. theta energy: -16.200 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: 2 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -111.015951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.015951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.015951 (E_RNA) where: Base-Base interactions energy: -56.541 where: short stacking energy: -35.061 Base-Backbone interact. energy: -0.034 local terms energy: -54.441297 where: bonds (distance) C4'-P energy: -12.501 bonds (distance) P-C4' energy: -13.705 flat angles C4'-P-C4' energy: -12.306 flat angles P-C4'-P energy: -3.988 tors. eta vs tors. theta energy: -11.941 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: 3, replica: 9 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -193.509281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.509281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.509281 (E_RNA) where: Base-Base interactions energy: -131.436 where: short stacking energy: -54.565 Base-Backbone interact. energy: -0.042 local terms energy: -62.030944 where: bonds (distance) C4'-P energy: -11.714 bonds (distance) P-C4' energy: -14.886 flat angles C4'-P-C4' energy: -12.869 flat angles P-C4'-P energy: -8.890 tors. eta vs tors. theta energy: -13.672 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: 7 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -107.760201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.760201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.760201 (E_RNA) where: Base-Base interactions energy: -56.368 where: short stacking energy: -42.436 Base-Backbone interact. energy: -0.049 local terms energy: -51.343154 where: bonds (distance) C4'-P energy: -7.177 bonds (distance) P-C4' energy: -12.880 flat angles C4'-P-C4' energy: -12.170 flat angles P-C4'-P energy: -8.966 tors. eta vs tors. theta energy: -10.150 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: 5, replica: 5 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -136.721699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.721699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.721699 (E_RNA) where: Base-Base interactions energy: -87.121 where: short stacking energy: -27.823 Base-Backbone interact. energy: -0.085 local terms energy: -49.515920 where: bonds (distance) C4'-P energy: -11.338 bonds (distance) P-C4' energy: -9.325 flat angles C4'-P-C4' energy: -12.626 flat angles P-C4'-P energy: -6.178 tors. eta vs tors. theta energy: -10.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -103.451478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.451478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.451478 (E_RNA) where: Base-Base interactions energy: -54.407 where: short stacking energy: -46.315 Base-Backbone interact. energy: -0.205 local terms energy: -48.839880 where: bonds (distance) C4'-P energy: -9.815 bonds (distance) P-C4' energy: -11.718 flat angles C4'-P-C4' energy: -7.787 flat angles P-C4'-P energy: -6.271 tors. eta vs tors. theta energy: -13.248 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: 8 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -83.322050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.322050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.322050 (E_RNA) where: Base-Base interactions energy: -42.436 where: short stacking energy: -23.799 Base-Backbone interact. energy: -0.444 local terms energy: -40.442478 where: bonds (distance) C4'-P energy: -8.935 bonds (distance) P-C4' energy: -9.211 flat angles C4'-P-C4' energy: -12.575 flat angles P-C4'-P energy: -6.510 tors. eta vs tors. theta energy: -3.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -64.749215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.749215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.749215 (E_RNA) where: Base-Base interactions energy: -24.806 where: short stacking energy: -24.806 Base-Backbone interact. energy: -0.268 local terms energy: -39.675462 where: bonds (distance) C4'-P energy: -4.727 bonds (distance) P-C4' energy: -9.495 flat angles C4'-P-C4' energy: -11.242 flat angles P-C4'-P energy: -9.695 tors. eta vs tors. theta energy: -4.517 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: 6 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -64.249270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.249270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.249270 (E_RNA) where: Base-Base interactions energy: -23.411 where: short stacking energy: -12.370 Base-Backbone interact. energy: -0.301 local terms energy: -40.536761 where: bonds (distance) C4'-P energy: -10.079 bonds (distance) P-C4' energy: -13.045 flat angles C4'-P-C4' energy: -13.559 flat angles P-C4'-P energy: -7.963 tors. eta vs tors. theta energy: 4.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -66.494529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.494529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.494529 (E_RNA) where: Base-Base interactions energy: -27.144 where: short stacking energy: -19.470 Base-Backbone interact. energy: -0.151 local terms energy: -39.198774 where: bonds (distance) C4'-P energy: -12.217 bonds (distance) P-C4' energy: -10.454 flat angles C4'-P-C4' energy: -9.215 flat angles P-C4'-P energy: -7.976 tors. eta vs tors. theta energy: 0.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -162.551634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.551634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.551634 (E_RNA) where: Base-Base interactions energy: -104.703 where: short stacking energy: -59.362 Base-Backbone interact. energy: -0.707 local terms energy: -57.141649 where: bonds (distance) C4'-P energy: -12.700 bonds (distance) P-C4' energy: -5.876 flat angles C4'-P-C4' energy: -12.612 flat angles P-C4'-P energy: -9.729 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: 2, replica: 9 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -200.666233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.666233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.666233 (E_RNA) where: Base-Base interactions energy: -137.547 where: short stacking energy: -55.483 Base-Backbone interact. energy: -0.296 local terms energy: -62.822878 where: bonds (distance) C4'-P energy: -14.124 bonds (distance) P-C4' energy: -13.218 flat angles C4'-P-C4' energy: -15.212 flat angles P-C4'-P energy: -4.230 tors. eta vs tors. theta energy: -16.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -103.852759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.852759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.852759 (E_RNA) where: Base-Base interactions energy: -51.979 where: short stacking energy: -32.169 Base-Backbone interact. energy: -0.575 local terms energy: -51.298928 where: bonds (distance) C4'-P energy: -12.858 bonds (distance) P-C4' energy: -12.036 flat angles C4'-P-C4' energy: -13.378 flat angles P-C4'-P energy: -8.808 tors. eta vs tors. theta energy: -4.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -132.289342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.289342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.289342 (E_RNA) where: Base-Base interactions energy: -80.969 where: short stacking energy: -44.776 Base-Backbone interact. energy: 0.357 local terms energy: -51.676477 where: bonds (distance) C4'-P energy: -12.527 bonds (distance) P-C4' energy: -10.937 flat angles C4'-P-C4' energy: -10.087 flat angles P-C4'-P energy: -6.567 tors. eta vs tors. theta energy: -11.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -87.594292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.594292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.594292 (E_RNA) where: Base-Base interactions energy: -40.460 where: short stacking energy: -32.411 Base-Backbone interact. energy: -0.115 local terms energy: -47.018480 where: bonds (distance) C4'-P energy: -14.269 bonds (distance) P-C4' energy: -11.018 flat angles C4'-P-C4' energy: -11.441 flat angles P-C4'-P energy: -4.554 tors. eta vs tors. theta energy: -5.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -91.530110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.530110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.530110 (E_RNA) where: Base-Base interactions energy: -37.341 where: short stacking energy: -37.341 Base-Backbone interact. energy: -0.029 local terms energy: -54.159983 where: bonds (distance) C4'-P energy: -13.135 bonds (distance) P-C4' energy: -11.837 flat angles C4'-P-C4' energy: -12.000 flat angles P-C4'-P energy: -6.115 tors. eta vs tors. theta energy: -11.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -88.708372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.708372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.708372 (E_RNA) where: Base-Base interactions energy: -40.044 where: short stacking energy: -29.653 Base-Backbone interact. energy: -0.225 local terms energy: -48.439055 where: bonds (distance) C4'-P energy: -8.474 bonds (distance) P-C4' energy: -14.029 flat angles C4'-P-C4' energy: -14.362 flat angles P-C4'-P energy: -7.062 tors. eta vs tors. theta energy: -4.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -68.802529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.802529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.802529 (E_RNA) where: Base-Base interactions energy: -23.624 where: short stacking energy: -22.735 Base-Backbone interact. energy: -0.037 local terms energy: -45.141478 where: bonds (distance) C4'-P energy: -13.089 bonds (distance) P-C4' energy: -14.703 flat angles C4'-P-C4' energy: -9.361 flat angles P-C4'-P energy: -3.228 tors. eta vs tors. theta energy: -4.760 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: 9, replica: 6 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -72.845927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.845927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.845927 (E_RNA) where: Base-Base interactions energy: -28.465 where: short stacking energy: -28.465 Base-Backbone interact. energy: -0.215 local terms energy: -44.165787 where: bonds (distance) C4'-P energy: -10.885 bonds (distance) P-C4' energy: -10.626 flat angles C4'-P-C4' energy: -7.688 flat angles P-C4'-P energy: -5.887 tors. eta vs tors. theta energy: -9.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -63.332167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.332167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.332167 (E_RNA) where: Base-Base interactions energy: -23.008 where: short stacking energy: -17.948 Base-Backbone interact. energy: -0.191 local terms energy: -40.132913 where: bonds (distance) C4'-P energy: -9.259 bonds (distance) P-C4' energy: -11.503 flat angles C4'-P-C4' energy: -8.518 flat angles P-C4'-P energy: -7.602 tors. eta vs tors. theta energy: -3.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -203.487571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.487571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.487571 (E_RNA) where: Base-Base interactions energy: -144.859 where: short stacking energy: -61.425 Base-Backbone interact. energy: -0.011 local terms energy: -58.617002 where: bonds (distance) C4'-P energy: -12.370 bonds (distance) P-C4' energy: -12.638 flat angles C4'-P-C4' energy: -11.195 flat angles P-C4'-P energy: -4.566 tors. eta vs tors. theta energy: -17.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -158.784100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.784100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.784100 (E_RNA) where: Base-Base interactions energy: -95.277 where: short stacking energy: -55.905 Base-Backbone interact. energy: -0.732 local terms energy: -62.774696 where: bonds (distance) C4'-P energy: -11.512 bonds (distance) P-C4' energy: -15.827 flat angles C4'-P-C4' energy: -11.912 flat angles P-C4'-P energy: -9.032 tors. eta vs tors. theta energy: -14.492 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: 5 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -144.420487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.420487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.420487 (E_RNA) where: Base-Base interactions energy: -88.941 where: short stacking energy: -47.591 Base-Backbone interact. energy: 0.440 local terms energy: -55.919762 where: bonds (distance) C4'-P energy: -12.050 bonds (distance) P-C4' energy: -13.451 flat angles C4'-P-C4' energy: -10.439 flat angles P-C4'-P energy: -7.346 tors. eta vs tors. theta energy: -12.634 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: 4, replica: 2 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -95.775073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.775073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.775073 (E_RNA) where: Base-Base interactions energy: -47.370 where: short stacking energy: -40.121 Base-Backbone interact. energy: -0.020 local terms energy: -48.384824 where: bonds (distance) C4'-P energy: -11.235 bonds (distance) P-C4' energy: -13.106 flat angles C4'-P-C4' energy: -11.511 flat angles P-C4'-P energy: -5.764 tors. eta vs tors. theta energy: -6.769 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: 7 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -98.489099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.489099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.489099 (E_RNA) where: Base-Base interactions energy: -46.140 where: short stacking energy: -35.123 Base-Backbone interact. energy: -0.309 local terms energy: -52.039904 where: bonds (distance) C4'-P energy: -9.723 bonds (distance) P-C4' energy: -14.075 flat angles C4'-P-C4' energy: -8.663 flat angles P-C4'-P energy: -9.387 tors. eta vs tors. theta energy: -10.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -85.658705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.658705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.658705 (E_RNA) where: Base-Base interactions energy: -41.237 where: short stacking energy: -36.165 Base-Backbone interact. energy: -0.112 local terms energy: -44.309258 where: bonds (distance) C4'-P energy: -9.486 bonds (distance) P-C4' energy: -11.551 flat angles C4'-P-C4' energy: -7.732 flat angles P-C4'-P energy: -8.332 tors. eta vs tors. theta energy: -7.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -82.750574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.750574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.750574 (E_RNA) where: Base-Base interactions energy: -44.203 where: short stacking energy: -28.431 Base-Backbone interact. energy: -0.304 local terms energy: -38.243733 where: bonds (distance) C4'-P energy: -12.116 bonds (distance) P-C4' energy: -11.511 flat angles C4'-P-C4' energy: -11.088 flat angles P-C4'-P energy: -3.070 tors. eta vs tors. theta energy: -0.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -70.200223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.200223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.200223 (E_RNA) where: Base-Base interactions energy: -23.577 where: short stacking energy: -23.577 Base-Backbone interact. energy: -0.011 local terms energy: -46.612452 where: bonds (distance) C4'-P energy: -14.695 bonds (distance) P-C4' energy: -9.338 flat angles C4'-P-C4' energy: -10.688 flat angles P-C4'-P energy: -7.682 tors. eta vs tors. theta energy: -4.209 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: 9, replica: 4 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -70.276322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.276322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.276322 (E_RNA) where: Base-Base interactions energy: -29.900 where: short stacking energy: -29.022 Base-Backbone interact. energy: -0.183 local terms energy: -40.192768 where: bonds (distance) C4'-P energy: -8.254 bonds (distance) P-C4' energy: -11.500 flat angles C4'-P-C4' energy: -6.452 flat angles P-C4'-P energy: -9.464 tors. eta vs tors. theta energy: -4.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -67.178440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.178440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.178440 (E_RNA) where: Base-Base interactions energy: -31.006 where: short stacking energy: -20.078 Base-Backbone interact. energy: -0.074 local terms energy: -36.098382 where: bonds (distance) C4'-P energy: -8.268 bonds (distance) P-C4' energy: -12.585 flat angles C4'-P-C4' energy: -11.734 flat angles P-C4'-P energy: -1.871 tors. eta vs tors. theta energy: -1.641 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: 1, replica: 9 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -202.164257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.164257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.164257 (E_RNA) where: Base-Base interactions energy: -137.765 where: short stacking energy: -60.841 Base-Backbone interact. energy: -0.000 local terms energy: -64.399031 where: bonds (distance) C4'-P energy: -10.240 bonds (distance) P-C4' energy: -14.177 flat angles C4'-P-C4' energy: -13.152 flat angles P-C4'-P energy: -9.766 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: 2, replica: 1 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -163.942132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.942132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.942132 (E_RNA) where: Base-Base interactions energy: -107.407 where: short stacking energy: -49.795 Base-Backbone interact. energy: -0.911 local terms energy: -55.624527 where: bonds (distance) C4'-P energy: -11.259 bonds (distance) P-C4' energy: -12.042 flat angles C4'-P-C4' energy: -9.873 flat angles P-C4'-P energy: -9.150 tors. eta vs tors. theta energy: -13.300 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: 5 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -147.158081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.158081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.158081 (E_RNA) where: Base-Base interactions energy: -92.615 where: short stacking energy: -50.332 Base-Backbone interact. energy: -0.435 local terms energy: -54.108187 where: bonds (distance) C4'-P energy: -9.438 bonds (distance) P-C4' energy: -12.631 flat angles C4'-P-C4' energy: -8.415 flat angles P-C4'-P energy: -11.913 tors. eta vs tors. theta energy: -11.712 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: 7 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -92.274050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.274050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.274050 (E_RNA) where: Base-Base interactions energy: -36.695 where: short stacking energy: -36.695 Base-Backbone interact. energy: -0.000 local terms energy: -55.578876 where: bonds (distance) C4'-P energy: -12.894 bonds (distance) P-C4' energy: -9.174 flat angles C4'-P-C4' energy: -12.279 flat angles P-C4'-P energy: -9.575 tors. eta vs tors. theta energy: -11.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -109.611761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.611761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.611761 (E_RNA) where: Base-Base interactions energy: -52.040 where: short stacking energy: -39.215 Base-Backbone interact. energy: -0.080 local terms energy: -57.491844 where: bonds (distance) C4'-P energy: -11.517 bonds (distance) P-C4' energy: -13.339 flat angles C4'-P-C4' energy: -12.951 flat angles P-C4'-P energy: -9.324 tors. eta vs tors. theta energy: -10.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -90.397605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.397605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.397605 (E_RNA) where: Base-Base interactions energy: -35.816 where: short stacking energy: -34.088 Base-Backbone interact. energy: -0.003 local terms energy: -54.579548 where: bonds (distance) C4'-P energy: -11.856 bonds (distance) P-C4' energy: -9.793 flat angles C4'-P-C4' energy: -15.627 flat angles P-C4'-P energy: -7.592 tors. eta vs tors. theta energy: -9.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -75.633459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.633459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.633459 (E_RNA) where: Base-Base interactions energy: -32.381 where: short stacking energy: -22.394 Base-Backbone interact. energy: -1.001 local terms energy: -42.251932 where: bonds (distance) C4'-P energy: -11.780 bonds (distance) P-C4' energy: -12.850 flat angles C4'-P-C4' energy: -10.069 flat angles P-C4'-P energy: -9.916 tors. eta vs tors. theta energy: 2.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -69.971321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.971321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.971321 (E_RNA) where: Base-Base interactions energy: -23.503 where: short stacking energy: -23.503 Base-Backbone interact. energy: -0.029 local terms energy: -46.439210 where: bonds (distance) C4'-P energy: -9.970 bonds (distance) P-C4' energy: -14.618 flat angles C4'-P-C4' energy: -9.547 flat angles P-C4'-P energy: -8.632 tors. eta vs tors. theta energy: -3.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -59.482022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.482022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.482022 (E_RNA) where: Base-Base interactions energy: -23.474 where: short stacking energy: -21.000 Base-Backbone interact. energy: -0.292 local terms energy: -35.716901 where: bonds (distance) C4'-P energy: -8.163 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -10.251 flat angles P-C4'-P energy: -8.308 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: 6 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -61.564546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.564546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.564546 (E_RNA) where: Base-Base interactions energy: -18.181 where: short stacking energy: -18.181 Base-Backbone interact. energy: 0.049 local terms energy: -43.432609 where: bonds (distance) C4'-P energy: -13.040 bonds (distance) P-C4' energy: -15.094 flat angles C4'-P-C4' energy: -8.206 flat angles P-C4'-P energy: -3.681 tors. eta vs tors. theta energy: -3.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -199.923577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.923577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.923577 (E_RNA) where: Base-Base interactions energy: -133.383 where: short stacking energy: -55.885 Base-Backbone interact. energy: -0.000 local terms energy: -66.540679 where: bonds (distance) C4'-P energy: -11.765 bonds (distance) P-C4' energy: -15.563 flat angles C4'-P-C4' energy: -14.351 flat angles P-C4'-P energy: -10.274 tors. eta vs tors. theta energy: -14.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -153.897187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.897187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.897187 (E_RNA) where: Base-Base interactions energy: -94.839 where: short stacking energy: -53.295 Base-Backbone interact. energy: -0.074 local terms energy: -58.983823 where: bonds (distance) C4'-P energy: -11.685 bonds (distance) P-C4' energy: -14.825 flat angles C4'-P-C4' energy: -11.393 flat angles P-C4'-P energy: -5.962 tors. eta vs tors. theta energy: -15.119 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: 5 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -148.268261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.268261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.268261 (E_RNA) where: Base-Base interactions energy: -91.184 where: short stacking energy: -47.852 Base-Backbone interact. energy: -0.072 local terms energy: -57.012191 where: bonds (distance) C4'-P energy: -9.409 bonds (distance) P-C4' energy: -12.687 flat angles C4'-P-C4' energy: -13.583 flat angles P-C4'-P energy: -10.575 tors. eta vs tors. theta energy: -10.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -91.114823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.114823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.114823 (E_RNA) where: Base-Base interactions energy: -33.037 where: short stacking energy: -29.837 Base-Backbone interact. energy: -0.047 local terms energy: -58.030597 where: bonds (distance) C4'-P energy: -12.633 bonds (distance) P-C4' energy: -14.836 flat angles C4'-P-C4' energy: -9.491 flat angles P-C4'-P energy: -11.522 tors. eta vs tors. theta energy: -9.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -154.224670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.224670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.224670 (E_RNA) where: Base-Base interactions energy: -99.131 where: short stacking energy: -43.158 Base-Backbone interact. energy: -0.053 local terms energy: -55.040779 where: bonds (distance) C4'-P energy: -13.516 bonds (distance) P-C4' energy: -10.837 flat angles C4'-P-C4' energy: -14.135 flat angles P-C4'-P energy: -7.692 tors. eta vs tors. theta energy: -8.862 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: 10 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -72.198502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.198502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.198502 (E_RNA) where: Base-Base interactions energy: -26.242 where: short stacking energy: -22.352 Base-Backbone interact. energy: -0.066 local terms energy: -45.891036 where: bonds (distance) C4'-P energy: -10.191 bonds (distance) P-C4' energy: -14.864 flat angles C4'-P-C4' energy: -11.024 flat angles P-C4'-P energy: -7.289 tors. eta vs tors. theta energy: -2.523 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: 7, replica: 8 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -76.728079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.728079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.728079 (E_RNA) where: Base-Base interactions energy: -25.341 where: short stacking energy: -25.121 Base-Backbone interact. energy: -0.146 local terms energy: -51.240292 where: bonds (distance) C4'-P energy: -9.930 bonds (distance) P-C4' energy: -12.132 flat angles C4'-P-C4' energy: -11.565 flat angles P-C4'-P energy: -10.925 tors. eta vs tors. theta energy: -6.688 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: 3 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -69.677397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.677397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.677397 (E_RNA) where: Base-Base interactions energy: -25.991 where: short stacking energy: -22.770 Base-Backbone interact. energy: -0.183 local terms energy: -43.503298 where: bonds (distance) C4'-P energy: -12.353 bonds (distance) P-C4' energy: -12.112 flat angles C4'-P-C4' energy: -10.400 flat angles P-C4'-P energy: -4.891 tors. eta vs tors. theta energy: -3.747 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: 6 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -60.703049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.703049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.703049 (E_RNA) where: Base-Base interactions energy: -21.902 where: short stacking energy: -13.731 Base-Backbone interact. energy: -0.044 local terms energy: -38.756569 where: bonds (distance) C4'-P energy: -14.100 bonds (distance) P-C4' energy: -8.714 flat angles C4'-P-C4' energy: -8.345 flat angles P-C4'-P energy: -5.675 tors. eta vs tors. theta energy: -1.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -65.879019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.879019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.879019 (E_RNA) where: Base-Base interactions energy: -23.925 where: short stacking energy: -23.925 Base-Backbone interact. energy: -0.108 local terms energy: -41.846304 where: bonds (distance) C4'-P energy: -10.105 bonds (distance) P-C4' energy: -11.979 flat angles C4'-P-C4' energy: -8.146 flat angles P-C4'-P energy: -6.562 tors. eta vs tors. theta energy: -5.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -204.572960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.572960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.572960 (E_RNA) where: Base-Base interactions energy: -136.491 where: short stacking energy: -58.947 Base-Backbone interact. energy: -0.131 local terms energy: -67.950602 where: bonds (distance) C4'-P energy: -13.992 bonds (distance) P-C4' energy: -14.653 flat angles C4'-P-C4' energy: -12.218 flat angles P-C4'-P energy: -8.538 tors. eta vs tors. theta energy: -18.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -146.099315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.099315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.099315 (E_RNA) where: Base-Base interactions energy: -91.749 where: short stacking energy: -45.786 Base-Backbone interact. energy: -0.523 local terms energy: -53.826846 where: bonds (distance) C4'-P energy: -8.734 bonds (distance) P-C4' energy: -12.288 flat angles C4'-P-C4' energy: -11.728 flat angles P-C4'-P energy: -11.220 tors. eta vs tors. theta energy: -9.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -143.396541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.396541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.396541 (E_RNA) where: Base-Base interactions energy: -83.940 where: short stacking energy: -48.456 Base-Backbone interact. energy: -0.039 local terms energy: -59.418204 where: bonds (distance) C4'-P energy: -11.215 bonds (distance) P-C4' energy: -13.727 flat angles C4'-P-C4' energy: -12.970 flat angles P-C4'-P energy: -9.706 tors. eta vs tors. theta energy: -11.800 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: 2 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -173.910579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.910579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.910579 (E_RNA) where: Base-Base interactions energy: -113.764 where: short stacking energy: -49.444 Base-Backbone interact. energy: -0.065 local terms energy: -60.081010 where: bonds (distance) C4'-P energy: -12.502 bonds (distance) P-C4' energy: -11.595 flat angles C4'-P-C4' energy: -12.507 flat angles P-C4'-P energy: -9.748 tors. eta vs tors. theta energy: -13.729 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: 7 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -105.235215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.235215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.235215 (E_RNA) where: Base-Base interactions energy: -48.492 where: short stacking energy: -41.117 Base-Backbone interact. energy: -0.434 local terms energy: -56.309283 where: bonds (distance) C4'-P energy: -12.014 bonds (distance) P-C4' energy: -11.588 flat angles C4'-P-C4' energy: -13.037 flat angles P-C4'-P energy: -5.700 tors. eta vs tors. theta energy: -13.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -71.932746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.932746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.932746 (E_RNA) where: Base-Base interactions energy: -27.370 where: short stacking energy: -15.945 Base-Backbone interact. energy: -0.058 local terms energy: -44.504530 where: bonds (distance) C4'-P energy: -12.928 bonds (distance) P-C4' energy: -13.687 flat angles C4'-P-C4' energy: -14.057 flat angles P-C4'-P energy: -5.380 tors. eta vs tors. theta energy: 1.548 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: 10 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -111.222485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.222485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.222485 (E_RNA) where: Base-Base interactions energy: -59.689 where: short stacking energy: -38.011 Base-Backbone interact. energy: -0.016 local terms energy: -51.517506 where: bonds (distance) C4'-P energy: -11.239 bonds (distance) P-C4' energy: -12.543 flat angles C4'-P-C4' energy: -11.600 flat angles P-C4'-P energy: -4.955 tors. eta vs tors. theta energy: -11.181 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: 6 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -83.722292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.722292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.722292 (E_RNA) where: Base-Base interactions energy: -41.282 where: short stacking energy: -33.046 Base-Backbone interact. energy: -0.223 local terms energy: -42.217964 where: bonds (distance) C4'-P energy: -7.551 bonds (distance) P-C4' energy: -14.606 flat angles C4'-P-C4' energy: -6.737 flat angles P-C4'-P energy: -7.734 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: 9, replica: 3 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -70.501606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.501606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.501606 (E_RNA) where: Base-Base interactions energy: -37.867 where: short stacking energy: -33.897 Base-Backbone interact. energy: -0.015 local terms energy: -32.619930 where: bonds (distance) C4'-P energy: -7.355 bonds (distance) P-C4' energy: -9.432 flat angles C4'-P-C4' energy: -7.650 flat angles P-C4'-P energy: -2.027 tors. eta vs tors. theta energy: -6.156 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: 13 Temperature: 1.350000 Total energy: -74.496713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.496713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.496713 (E_RNA) where: Base-Base interactions energy: -31.778 where: short stacking energy: -25.550 Base-Backbone interact. energy: -0.115 local terms energy: -42.603882 where: bonds (distance) C4'-P energy: -11.160 bonds (distance) P-C4' energy: -11.869 flat angles C4'-P-C4' energy: -10.309 flat angles P-C4'-P energy: -6.820 tors. eta vs tors. theta energy: -2.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -201.671485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.671485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.671485 (E_RNA) where: Base-Base interactions energy: -137.435 where: short stacking energy: -60.760 Base-Backbone interact. energy: -0.153 local terms energy: -64.083529 where: bonds (distance) C4'-P energy: -12.220 bonds (distance) P-C4' energy: -13.226 flat angles C4'-P-C4' energy: -13.567 flat angles P-C4'-P energy: -8.942 tors. eta vs tors. theta energy: -16.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -163.875518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.875518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.875518 (E_RNA) where: Base-Base interactions energy: -105.491 where: short stacking energy: -50.684 Base-Backbone interact. energy: -0.063 local terms energy: -58.321414 where: bonds (distance) C4'-P energy: -8.561 bonds (distance) P-C4' energy: -14.438 flat angles C4'-P-C4' energy: -13.385 flat angles P-C4'-P energy: -10.398 tors. eta vs tors. theta energy: -11.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -197.788898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.788898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.788898 (E_RNA) where: Base-Base interactions energy: -136.996 where: short stacking energy: -56.449 Base-Backbone interact. energy: -0.094 local terms energy: -60.698277 where: bonds (distance) C4'-P energy: -12.973 bonds (distance) P-C4' energy: -12.272 flat angles C4'-P-C4' energy: -11.907 flat angles P-C4'-P energy: -5.719 tors. eta vs tors. theta energy: -17.828 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: 14 Temperature: 1.050000 Total energy: -143.680961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.680961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.680961 (E_RNA) where: Base-Base interactions energy: -82.976 where: short stacking energy: -48.179 Base-Backbone interact. energy: -0.036 local terms energy: -60.669421 where: bonds (distance) C4'-P energy: -14.943 bonds (distance) P-C4' energy: -8.929 flat angles C4'-P-C4' energy: -11.710 flat angles P-C4'-P energy: -9.141 tors. eta vs tors. theta energy: -15.946 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: 5, replica: 8 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -149.704377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.704377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.704377 (E_RNA) where: Base-Base interactions energy: -91.161 where: short stacking energy: -50.826 Base-Backbone interact. energy: -0.005 local terms energy: -58.538353 where: bonds (distance) C4'-P energy: -12.795 bonds (distance) P-C4' energy: -8.815 flat angles C4'-P-C4' energy: -13.210 flat angles P-C4'-P energy: -10.606 tors. eta vs tors. theta energy: -13.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -73.517767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.517767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.517767 (E_RNA) where: Base-Base interactions energy: -29.285 where: short stacking energy: -30.285 Base-Backbone interact. energy: -0.123 local terms energy: -44.110301 where: bonds (distance) C4'-P energy: -6.843 bonds (distance) P-C4' energy: -11.497 flat angles C4'-P-C4' energy: -13.174 flat angles P-C4'-P energy: -9.862 tors. eta vs tors. theta energy: -2.735 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: 6 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -78.560461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.560461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.560461 (E_RNA) where: Base-Base interactions energy: -36.815 where: short stacking energy: -21.209 Base-Backbone interact. energy: -1.007 local terms energy: -40.739014 where: bonds (distance) C4'-P energy: -10.746 bonds (distance) P-C4' energy: -12.760 flat angles C4'-P-C4' energy: -10.123 flat angles P-C4'-P energy: -5.364 tors. eta vs tors. theta energy: -1.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -88.682542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.682542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.682542 (E_RNA) where: Base-Base interactions energy: -46.365 where: short stacking energy: -41.818 Base-Backbone interact. energy: -0.004 local terms energy: -42.314048 where: bonds (distance) C4'-P energy: -8.284 bonds (distance) P-C4' energy: -11.035 flat angles C4'-P-C4' energy: -10.777 flat angles P-C4'-P energy: -5.463 tors. eta vs tors. theta energy: -6.756 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: 14 Temperature: 1.300000 Total energy: -69.899177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.899177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.899177 (E_RNA) where: Base-Base interactions energy: -29.528 where: short stacking energy: -28.171 Base-Backbone interact. energy: -0.116 local terms energy: -40.254734 where: bonds (distance) C4'-P energy: -11.661 bonds (distance) P-C4' energy: -6.698 flat angles C4'-P-C4' energy: -10.824 flat angles P-C4'-P energy: -5.326 tors. eta vs tors. theta energy: -5.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -67.208666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.208666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.208666 (E_RNA) where: Base-Base interactions energy: -22.501 where: short stacking energy: -22.501 Base-Backbone interact. energy: -0.045 local terms energy: -44.662041 where: bonds (distance) C4'-P energy: -7.859 bonds (distance) P-C4' energy: -11.908 flat angles C4'-P-C4' energy: -12.934 flat angles P-C4'-P energy: -6.702 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: 1, replica: 9 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -205.998710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.998710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.998710 (E_RNA) where: Base-Base interactions energy: -142.260 where: short stacking energy: -60.128 Base-Backbone interact. energy: -0.010 local terms energy: -63.728335 where: bonds (distance) C4'-P energy: -14.224 bonds (distance) P-C4' energy: -10.380 flat angles C4'-P-C4' energy: -13.732 flat angles P-C4'-P energy: -9.797 tors. eta vs tors. theta energy: -15.596 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: 2 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -186.623728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.623728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.623728 (E_RNA) where: Base-Base interactions energy: -130.006 where: short stacking energy: -55.822 Base-Backbone interact. energy: -0.049 local terms energy: -56.568720 where: bonds (distance) C4'-P energy: -9.744 bonds (distance) P-C4' energy: -11.751 flat angles C4'-P-C4' energy: -13.499 flat angles P-C4'-P energy: -6.333 tors. eta vs tors. theta energy: -15.243 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: 5 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -161.894066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.894066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.894066 (E_RNA) where: Base-Base interactions energy: -97.577 where: short stacking energy: -50.341 Base-Backbone interact. energy: -0.200 local terms energy: -64.117047 where: bonds (distance) C4'-P energy: -12.696 bonds (distance) P-C4' energy: -13.264 flat angles C4'-P-C4' energy: -11.928 flat angles P-C4'-P energy: -10.737 tors. eta vs tors. theta energy: -15.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -149.814130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.814130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.814130 (E_RNA) where: Base-Base interactions energy: -96.926 where: short stacking energy: -40.713 Base-Backbone interact. energy: -0.064 local terms energy: -52.824512 where: bonds (distance) C4'-P energy: -13.197 bonds (distance) P-C4' energy: -10.926 flat angles C4'-P-C4' energy: -10.259 flat angles P-C4'-P energy: -9.476 tors. eta vs tors. theta energy: -8.965 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: 1 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -142.266301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.266301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.266301 (E_RNA) where: Base-Base interactions energy: -82.739 where: short stacking energy: -41.240 Base-Backbone interact. energy: -0.095 local terms energy: -59.433064 where: bonds (distance) C4'-P energy: -12.883 bonds (distance) P-C4' energy: -12.677 flat angles C4'-P-C4' energy: -12.753 flat angles P-C4'-P energy: -8.452 tors. eta vs tors. theta energy: -12.669 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: 6 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -79.948505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.948505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.948505 (E_RNA) where: Base-Base interactions energy: -38.811 where: short stacking energy: -24.586 Base-Backbone interact. energy: -0.282 local terms energy: -40.855377 where: bonds (distance) C4'-P energy: -13.764 bonds (distance) P-C4' energy: -9.279 flat angles C4'-P-C4' energy: -11.853 flat angles P-C4'-P energy: -5.247 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: 7, replica: 7 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -68.546090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.546090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.546090 (E_RNA) where: Base-Base interactions energy: -25.250 where: short stacking energy: -25.250 Base-Backbone interact. energy: -0.026 local terms energy: -43.269793 where: bonds (distance) C4'-P energy: -11.285 bonds (distance) P-C4' energy: -10.421 flat angles C4'-P-C4' energy: -7.749 flat angles P-C4'-P energy: -9.096 tors. eta vs tors. theta energy: -4.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -73.082442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.082442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.082442 (E_RNA) where: Base-Base interactions energy: -20.458 where: short stacking energy: -20.245 Base-Backbone interact. energy: -0.079 local terms energy: -52.545527 where: bonds (distance) C4'-P energy: -11.943 bonds (distance) P-C4' energy: -11.325 flat angles C4'-P-C4' energy: -12.185 flat angles P-C4'-P energy: -10.918 tors. eta vs tors. theta energy: -6.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -77.522593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.522593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.522593 (E_RNA) where: Base-Base interactions energy: -32.260 where: short stacking energy: -32.260 Base-Backbone interact. energy: -0.112 local terms energy: -45.150164 where: bonds (distance) C4'-P energy: -11.329 bonds (distance) P-C4' energy: -5.570 flat angles C4'-P-C4' energy: -13.538 flat angles P-C4'-P energy: -7.749 tors. eta vs tors. theta energy: -6.964 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: 10, replica: 3 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -66.146779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.146779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.146779 (E_RNA) where: Base-Base interactions energy: -17.539 where: short stacking energy: -12.098 Base-Backbone interact. energy: 0.143 local terms energy: -48.751116 where: bonds (distance) C4'-P energy: -12.949 bonds (distance) P-C4' energy: -11.496 flat angles C4'-P-C4' energy: -10.722 flat angles P-C4'-P energy: -8.095 tors. eta vs tors. theta energy: -5.490 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: 1, replica: 9 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -201.615116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.615116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.615116 (E_RNA) where: Base-Base interactions energy: -140.616 where: short stacking energy: -59.929 Base-Backbone interact. energy: -0.016 local terms energy: -60.982653 where: bonds (distance) C4'-P energy: -9.317 bonds (distance) P-C4' energy: -11.935 flat angles C4'-P-C4' energy: -14.527 flat angles P-C4'-P energy: -10.347 tors. eta vs tors. theta energy: -14.856 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: 2 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -207.833047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.833047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.833047 (E_RNA) where: Base-Base interactions energy: -141.494 where: short stacking energy: -60.626 Base-Backbone interact. energy: -0.001 local terms energy: -66.338169 where: bonds (distance) C4'-P energy: -14.518 bonds (distance) P-C4' energy: -13.836 flat angles C4'-P-C4' energy: -14.420 flat angles P-C4'-P energy: -7.718 tors. eta vs tors. theta energy: -15.846 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: 3, replica: 8 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -168.998308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.998308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.998308 (E_RNA) where: Base-Base interactions energy: -97.359 where: short stacking energy: -58.664 Base-Backbone interact. energy: -2.271 local terms energy: -69.367965 where: bonds (distance) C4'-P energy: -13.358 bonds (distance) P-C4' energy: -13.901 flat angles C4'-P-C4' energy: -12.024 flat angles P-C4'-P energy: -11.162 tors. eta vs tors. theta energy: -18.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -148.897694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.897694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.897694 (E_RNA) where: Base-Base interactions energy: -94.389 where: short stacking energy: -49.297 Base-Backbone interact. energy: -0.673 local terms energy: -53.835108 where: bonds (distance) C4'-P energy: -8.544 bonds (distance) P-C4' energy: -13.042 flat angles C4'-P-C4' energy: -12.381 flat angles P-C4'-P energy: -7.163 tors. eta vs tors. theta energy: -12.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -149.723298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.723298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.723298 (E_RNA) where: Base-Base interactions energy: -91.204 where: short stacking energy: -51.867 Base-Backbone interact. energy: -0.058 local terms energy: -58.461496 where: bonds (distance) C4'-P energy: -9.376 bonds (distance) P-C4' energy: -12.534 flat angles C4'-P-C4' energy: -13.758 flat angles P-C4'-P energy: -5.736 tors. eta vs tors. theta energy: -17.056 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: 16 Temperature: 1.150000 Total energy: -81.199344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.199344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.199344 (E_RNA) where: Base-Base interactions energy: -32.708 where: short stacking energy: -31.079 Base-Backbone interact. energy: 1.990 local terms energy: -50.480833 where: bonds (distance) C4'-P energy: -9.939 bonds (distance) P-C4' energy: -14.128 flat angles C4'-P-C4' energy: -12.347 flat angles P-C4'-P energy: -11.769 tors. eta vs tors. theta energy: -2.298 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: 4 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -73.165080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.165080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.165080 (E_RNA) where: Base-Base interactions energy: -28.882 where: short stacking energy: -25.927 Base-Backbone interact. energy: 0.449 local terms energy: -44.732244 where: bonds (distance) C4'-P energy: -11.209 bonds (distance) P-C4' energy: -11.923 flat angles C4'-P-C4' energy: -9.124 flat angles P-C4'-P energy: -7.745 tors. eta vs tors. theta energy: -4.731 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: 7 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -67.589270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.589270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.589270 (E_RNA) where: Base-Base interactions energy: -27.845 where: short stacking energy: -27.845 Base-Backbone interact. energy: -0.165 local terms energy: -39.578760 where: bonds (distance) C4'-P energy: -10.108 bonds (distance) P-C4' energy: -10.973 flat angles C4'-P-C4' energy: -6.371 flat angles P-C4'-P energy: -7.908 tors. eta vs tors. theta energy: -4.219 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: 9, replica: 3 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -62.315017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.315017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.315017 (E_RNA) where: Base-Base interactions energy: -26.202 where: short stacking energy: -17.453 Base-Backbone interact. energy: -0.089 local terms energy: -36.023772 where: bonds (distance) C4'-P energy: -10.134 bonds (distance) P-C4' energy: -8.399 flat angles C4'-P-C4' energy: -8.145 flat angles P-C4'-P energy: -9.971 tors. eta vs tors. theta energy: 0.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -77.179220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.179220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.179220 (E_RNA) where: Base-Base interactions energy: -35.437 where: short stacking energy: -35.437 Base-Backbone interact. energy: -0.024 local terms energy: -41.718307 where: bonds (distance) C4'-P energy: -7.730 bonds (distance) P-C4' energy: -9.218 flat angles C4'-P-C4' energy: -9.896 flat angles P-C4'-P energy: -5.782 tors. eta vs tors. theta energy: -9.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -201.447829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.447829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.447829 (E_RNA) where: Base-Base interactions energy: -136.096 where: short stacking energy: -56.673 Base-Backbone interact. energy: -0.050 local terms energy: -65.302016 where: bonds (distance) C4'-P energy: -13.436 bonds (distance) P-C4' energy: -13.213 flat angles C4'-P-C4' energy: -13.455 flat angles P-C4'-P energy: -11.662 tors. eta vs tors. theta energy: -13.536 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: 2 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -204.733535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.733535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.733535 (E_RNA) where: Base-Base interactions energy: -139.588 where: short stacking energy: -58.788 Base-Backbone interact. energy: -0.041 local terms energy: -65.104262 where: bonds (distance) C4'-P energy: -13.806 bonds (distance) P-C4' energy: -13.416 flat angles C4'-P-C4' energy: -12.331 flat angles P-C4'-P energy: -8.648 tors. eta vs tors. theta energy: -16.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -160.073025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.073025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.073025 (E_RNA) where: Base-Base interactions energy: -101.702 where: short stacking energy: -49.755 Base-Backbone interact. energy: -0.173 local terms energy: -58.197275 where: bonds (distance) C4'-P energy: -10.824 bonds (distance) P-C4' energy: -9.040 flat angles C4'-P-C4' energy: -13.887 flat angles P-C4'-P energy: -8.992 tors. eta vs tors. theta energy: -15.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -159.221548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.221548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.221548 (E_RNA) where: Base-Base interactions energy: -97.607 where: short stacking energy: -54.578 Base-Backbone interact. energy: -0.074 local terms energy: -61.540423 where: bonds (distance) C4'-P energy: -7.282 bonds (distance) P-C4' energy: -12.944 flat angles C4'-P-C4' energy: -13.118 flat angles P-C4'-P energy: -9.921 tors. eta vs tors. theta energy: -18.275 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: 5, replica: 5 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -142.681188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.681188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.681188 (E_RNA) where: Base-Base interactions energy: -85.105 where: short stacking energy: -44.786 Base-Backbone interact. energy: -0.294 local terms energy: -57.281892 where: bonds (distance) C4'-P energy: -12.540 bonds (distance) P-C4' energy: -11.004 flat angles C4'-P-C4' energy: -12.632 flat angles P-C4'-P energy: -8.236 tors. eta vs tors. theta energy: -12.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -93.527136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.527136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.527136 (E_RNA) where: Base-Base interactions energy: -43.484 where: short stacking energy: -43.484 Base-Backbone interact. energy: -0.000 local terms energy: -50.043196 where: bonds (distance) C4'-P energy: -11.616 bonds (distance) P-C4' energy: -8.908 flat angles C4'-P-C4' energy: -10.026 flat angles P-C4'-P energy: -7.669 tors. eta vs tors. theta energy: -11.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -83.541888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.541888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.541888 (E_RNA) where: Base-Base interactions energy: -35.539 where: short stacking energy: -33.492 Base-Backbone interact. energy: -0.548 local terms energy: -47.455003 where: bonds (distance) C4'-P energy: -12.119 bonds (distance) P-C4' energy: -8.383 flat angles C4'-P-C4' energy: -11.446 flat angles P-C4'-P energy: -7.434 tors. eta vs tors. theta energy: -8.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -82.723576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.723576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.723576 (E_RNA) where: Base-Base interactions energy: -34.279 where: short stacking energy: -32.959 Base-Backbone interact. energy: -0.020 local terms energy: -48.425090 where: bonds (distance) C4'-P energy: -10.965 bonds (distance) P-C4' energy: -8.840 flat angles C4'-P-C4' energy: -9.787 flat angles P-C4'-P energy: -10.634 tors. eta vs tors. theta energy: -8.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -64.961365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.961365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.961365 (E_RNA) where: Base-Base interactions energy: -26.073 where: short stacking energy: -26.073 Base-Backbone interact. energy: -0.078 local terms energy: -38.810653 where: bonds (distance) C4'-P energy: -10.630 bonds (distance) P-C4' energy: -7.080 flat angles C4'-P-C4' energy: -10.458 flat angles P-C4'-P energy: -7.595 tors. eta vs tors. theta energy: -3.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -64.237590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.237590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.237590 (E_RNA) where: Base-Base interactions energy: -23.203 where: short stacking energy: -23.203 Base-Backbone interact. energy: -0.129 local terms energy: -40.905689 where: bonds (distance) C4'-P energy: -12.190 bonds (distance) P-C4' energy: -9.027 flat angles C4'-P-C4' energy: -8.602 flat angles P-C4'-P energy: -5.238 tors. eta vs tors. theta energy: -5.849 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: 2 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -204.308763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.308763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.308763 (E_RNA) where: Base-Base interactions energy: -138.524 where: short stacking energy: -60.784 Base-Backbone interact. energy: -0.006 local terms energy: -65.779269 where: bonds (distance) C4'-P energy: -13.284 bonds (distance) P-C4' energy: -12.334 flat angles C4'-P-C4' energy: -12.925 flat angles P-C4'-P energy: -10.466 tors. eta vs tors. theta energy: -16.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -200.975741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.975741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.975741 (E_RNA) where: Base-Base interactions energy: -138.907 where: short stacking energy: -58.306 Base-Backbone interact. energy: -0.007 local terms energy: -62.062187 where: bonds (distance) C4'-P energy: -12.132 bonds (distance) P-C4' energy: -12.761 flat angles C4'-P-C4' energy: -12.456 flat angles P-C4'-P energy: -7.608 tors. eta vs tors. theta energy: -17.105 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: 1 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -159.449676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.449676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.449676 (E_RNA) where: Base-Base interactions energy: -98.211 where: short stacking energy: -57.295 Base-Backbone interact. energy: -0.294 local terms energy: -60.944811 where: bonds (distance) C4'-P energy: -9.381 bonds (distance) P-C4' energy: -11.875 flat angles C4'-P-C4' energy: -13.448 flat angles P-C4'-P energy: -8.270 tors. eta vs tors. theta energy: -17.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -154.558509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.558509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.558509 (E_RNA) where: Base-Base interactions energy: -91.421 where: short stacking energy: -50.352 Base-Backbone interact. energy: -0.221 local terms energy: -62.916365 where: bonds (distance) C4'-P energy: -11.896 bonds (distance) P-C4' energy: -11.423 flat angles C4'-P-C4' energy: -15.119 flat angles P-C4'-P energy: -9.198 tors. eta vs tors. theta energy: -15.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -145.674166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.674166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.674166 (E_RNA) where: Base-Base interactions energy: -91.220 where: short stacking energy: -32.603 Base-Backbone interact. energy: -0.152 local terms energy: -54.301921 where: bonds (distance) C4'-P energy: -10.862 bonds (distance) P-C4' energy: -8.320 flat angles C4'-P-C4' energy: -13.268 flat angles P-C4'-P energy: -10.577 tors. eta vs tors. theta energy: -11.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -79.756094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.756094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.756094 (E_RNA) where: Base-Base interactions energy: -36.410 where: short stacking energy: -31.927 Base-Backbone interact. energy: -0.191 local terms energy: -43.155905 where: bonds (distance) C4'-P energy: -6.626 bonds (distance) P-C4' energy: -13.053 flat angles C4'-P-C4' energy: -14.157 flat angles P-C4'-P energy: -7.268 tors. eta vs tors. theta energy: -2.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -81.164376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.164376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.164376 (E_RNA) where: Base-Base interactions energy: -37.599 where: short stacking energy: -31.260 Base-Backbone interact. energy: -0.037 local terms energy: -43.528158 where: bonds (distance) C4'-P energy: -10.062 bonds (distance) P-C4' energy: -11.202 flat angles C4'-P-C4' energy: -11.197 flat angles P-C4'-P energy: -5.650 tors. eta vs tors. theta energy: -5.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -66.950150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.950150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.950150 (E_RNA) where: Base-Base interactions energy: -27.587 where: short stacking energy: -23.098 Base-Backbone interact. energy: 0.453 local terms energy: -39.815913 where: bonds (distance) C4'-P energy: -13.313 bonds (distance) P-C4' energy: -13.068 flat angles C4'-P-C4' energy: -6.338 flat angles P-C4'-P energy: -7.191 tors. eta vs tors. theta energy: 0.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -71.492684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.492684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.492684 (E_RNA) where: Base-Base interactions energy: -23.848 where: short stacking energy: -23.848 Base-Backbone interact. energy: -0.114 local terms energy: -47.530336 where: bonds (distance) C4'-P energy: -10.572 bonds (distance) P-C4' energy: -14.290 flat angles C4'-P-C4' energy: -13.390 flat angles P-C4'-P energy: -7.638 tors. eta vs tors. theta energy: -1.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -74.974819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.974819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.974819 (E_RNA) where: Base-Base interactions energy: -29.463 where: short stacking energy: -19.865 Base-Backbone interact. energy: -0.015 local terms energy: -45.496461 where: bonds (distance) C4'-P energy: -12.038 bonds (distance) P-C4' energy: -15.140 flat angles C4'-P-C4' energy: -6.089 flat angles P-C4'-P energy: -9.886 tors. eta vs tors. theta energy: -2.343 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: 1, replica: 2 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -202.795701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.795701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.795701 (E_RNA) where: Base-Base interactions energy: -136.644 where: short stacking energy: -58.169 Base-Backbone interact. energy: -0.000 local terms energy: -66.151075 where: bonds (distance) C4'-P energy: -13.914 bonds (distance) P-C4' energy: -13.067 flat angles C4'-P-C4' energy: -13.740 flat angles P-C4'-P energy: -8.722 tors. eta vs tors. theta energy: -16.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -200.229206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.229206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.229206 (E_RNA) where: Base-Base interactions energy: -138.630 where: short stacking energy: -56.695 Base-Backbone interact. energy: -0.041 local terms energy: -61.558464 where: bonds (distance) C4'-P energy: -7.894 bonds (distance) P-C4' energy: -14.066 flat angles C4'-P-C4' energy: -13.762 flat angles P-C4'-P energy: -10.121 tors. eta vs tors. theta energy: -15.715 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: 19 Temperature: 1.000000 Total energy: -150.181706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.181706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.181706 (E_RNA) where: Base-Base interactions energy: -95.637 where: short stacking energy: -48.188 Base-Backbone interact. energy: -0.056 local terms energy: -54.488793 where: bonds (distance) C4'-P energy: -12.804 bonds (distance) P-C4' energy: -12.996 flat angles C4'-P-C4' energy: -12.059 flat angles P-C4'-P energy: -7.613 tors. eta vs tors. theta energy: -9.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -155.693637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.693637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.693637 (E_RNA) where: Base-Base interactions energy: -97.533 where: short stacking energy: -39.108 Base-Backbone interact. energy: -1.422 local terms energy: -56.738223 where: bonds (distance) C4'-P energy: -13.826 bonds (distance) P-C4' energy: -12.852 flat angles C4'-P-C4' energy: -9.792 flat angles P-C4'-P energy: -7.878 tors. eta vs tors. theta energy: -12.391 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: 8 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -143.600774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.600774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.600774 (E_RNA) where: Base-Base interactions energy: -84.670 where: short stacking energy: -45.351 Base-Backbone interact. energy: -0.137 local terms energy: -58.793945 where: bonds (distance) C4'-P energy: -10.576 bonds (distance) P-C4' energy: -14.417 flat angles C4'-P-C4' energy: -13.952 flat angles P-C4'-P energy: -7.532 tors. eta vs tors. theta energy: -12.317 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: 7 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -85.490097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.490097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.490097 (E_RNA) where: Base-Base interactions energy: -41.001 where: short stacking energy: -33.630 Base-Backbone interact. energy: -0.366 local terms energy: -44.123180 where: bonds (distance) C4'-P energy: -11.255 bonds (distance) P-C4' energy: -10.717 flat angles C4'-P-C4' energy: -9.165 flat angles P-C4'-P energy: -9.326 tors. eta vs tors. theta energy: -3.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -74.285097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.285097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.285097 (E_RNA) where: Base-Base interactions energy: -30.847 where: short stacking energy: -30.847 Base-Backbone interact. energy: -0.055 local terms energy: -43.382987 where: bonds (distance) C4'-P energy: -13.607 bonds (distance) P-C4' energy: -5.399 flat angles C4'-P-C4' energy: -9.900 flat angles P-C4'-P energy: -8.250 tors. eta vs tors. theta energy: -6.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -72.018220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.018220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.018220 (E_RNA) where: Base-Base interactions energy: -30.011 where: short stacking energy: -22.800 Base-Backbone interact. energy: -0.218 local terms energy: -41.788959 where: bonds (distance) C4'-P energy: -14.092 bonds (distance) P-C4' energy: -8.647 flat angles C4'-P-C4' energy: -12.678 flat angles P-C4'-P energy: -3.934 tors. eta vs tors. theta energy: -2.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -76.189477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.189477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.189477 (E_RNA) where: Base-Base interactions energy: -33.793 where: short stacking energy: -17.869 Base-Backbone interact. energy: -0.901 local terms energy: -41.495853 where: bonds (distance) C4'-P energy: -11.169 bonds (distance) P-C4' energy: -12.207 flat angles C4'-P-C4' energy: -9.005 flat angles P-C4'-P energy: -8.153 tors. eta vs tors. theta energy: -0.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -63.539781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.539781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.539781 (E_RNA) where: Base-Base interactions energy: -19.327 where: short stacking energy: -19.127 Base-Backbone interact. energy: -0.306 local terms energy: -43.906863 where: bonds (distance) C4'-P energy: -12.707 bonds (distance) P-C4' energy: -12.140 flat angles C4'-P-C4' energy: -10.682 flat angles P-C4'-P energy: -4.844 tors. eta vs tors. theta energy: -3.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -206.371465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.371465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.371465 (E_RNA) where: Base-Base interactions energy: -137.710 where: short stacking energy: -59.752 Base-Backbone interact. energy: -0.016 local terms energy: -68.645677 where: bonds (distance) C4'-P energy: -11.889 bonds (distance) P-C4' energy: -14.882 flat angles C4'-P-C4' energy: -13.571 flat angles P-C4'-P energy: -12.636 tors. eta vs tors. theta energy: -15.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -201.549849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.549849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.549849 (E_RNA) where: Base-Base interactions energy: -142.328 where: short stacking energy: -59.451 Base-Backbone interact. energy: -0.015 local terms energy: -59.206493 where: bonds (distance) C4'-P energy: -15.606 bonds (distance) P-C4' energy: -13.610 flat angles C4'-P-C4' energy: -12.493 flat angles P-C4'-P energy: -2.495 tors. eta vs tors. theta energy: -15.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -164.289197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.289197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.289197 (E_RNA) where: Base-Base interactions energy: -104.511 where: short stacking energy: -57.105 Base-Backbone interact. energy: -0.001 local terms energy: -59.777184 where: bonds (distance) C4'-P energy: -13.272 bonds (distance) P-C4' energy: -8.608 flat angles C4'-P-C4' energy: -13.261 flat angles P-C4'-P energy: -8.745 tors. eta vs tors. theta energy: -15.890 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: 5 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -151.119679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.119679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.119679 (E_RNA) where: Base-Base interactions energy: -95.631 where: short stacking energy: -39.735 Base-Backbone interact. energy: -0.956 local terms energy: -54.533163 where: bonds (distance) C4'-P energy: -7.953 bonds (distance) P-C4' energy: -14.646 flat angles C4'-P-C4' energy: -12.365 flat angles P-C4'-P energy: -8.877 tors. eta vs tors. theta energy: -10.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -141.191141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.191141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.191141 (E_RNA) where: Base-Base interactions energy: -85.717 where: short stacking energy: -50.684 Base-Backbone interact. energy: -0.471 local terms energy: -55.003036 where: bonds (distance) C4'-P energy: -11.616 bonds (distance) P-C4' energy: -8.661 flat angles C4'-P-C4' energy: -10.986 flat angles P-C4'-P energy: -9.360 tors. eta vs tors. theta energy: -14.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -77.739831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.739831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.739831 (E_RNA) where: Base-Base interactions energy: -30.423 where: short stacking energy: -29.902 Base-Backbone interact. energy: -0.212 local terms energy: -47.104758 where: bonds (distance) C4'-P energy: -13.326 bonds (distance) P-C4' energy: -12.232 flat angles C4'-P-C4' energy: -10.480 flat angles P-C4'-P energy: -6.018 tors. eta vs tors. theta energy: -5.048 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: 6 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -71.139048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.139048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.139048 (E_RNA) where: Base-Base interactions energy: -21.056 where: short stacking energy: -21.080 Base-Backbone interact. energy: -0.103 local terms energy: -49.979750 where: bonds (distance) C4'-P energy: -12.092 bonds (distance) P-C4' energy: -13.793 flat angles C4'-P-C4' energy: -11.422 flat angles P-C4'-P energy: -5.344 tors. eta vs tors. theta energy: -7.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -73.740294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.740294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.740294 (E_RNA) where: Base-Base interactions energy: -28.307 where: short stacking energy: -27.624 Base-Backbone interact. energy: -0.010 local terms energy: -45.423832 where: bonds (distance) C4'-P energy: -12.009 bonds (distance) P-C4' energy: -14.502 flat angles C4'-P-C4' energy: -11.418 flat angles P-C4'-P energy: -5.363 tors. eta vs tors. theta energy: -2.131 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: 10 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -81.091856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.091856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.091856 (E_RNA) where: Base-Base interactions energy: -37.878 where: short stacking energy: -20.060 Base-Backbone interact. energy: -0.003 local terms energy: -43.211023 where: bonds (distance) C4'-P energy: -10.352 bonds (distance) P-C4' energy: -9.364 flat angles C4'-P-C4' energy: -13.490 flat angles P-C4'-P energy: -6.224 tors. eta vs tors. theta energy: -3.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -59.080447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.080447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.080447 (E_RNA) where: Base-Base interactions energy: -24.704 where: short stacking energy: -24.704 Base-Backbone interact. energy: -0.195 local terms energy: -34.181069 where: bonds (distance) C4'-P energy: -11.180 bonds (distance) P-C4' energy: -12.607 flat angles C4'-P-C4' energy: -2.291 flat angles P-C4'-P energy: -7.019 tors. eta vs tors. theta energy: -1.085 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: 1, replica: 2 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -199.563108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.563108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.563108 (E_RNA) where: Base-Base interactions energy: -138.430 where: short stacking energy: -58.551 Base-Backbone interact. energy: -0.070 local terms energy: -61.062949 where: bonds (distance) C4'-P energy: -10.903 bonds (distance) P-C4' energy: -13.384 flat angles C4'-P-C4' energy: -13.658 flat angles P-C4'-P energy: -5.233 tors. eta vs tors. theta energy: -17.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -202.621026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.621026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.621026 (E_RNA) where: Base-Base interactions energy: -138.762 where: short stacking energy: -59.238 Base-Backbone interact. energy: -0.001 local terms energy: -63.857691 where: bonds (distance) C4'-P energy: -13.690 bonds (distance) P-C4' energy: -10.532 flat angles C4'-P-C4' energy: -14.778 flat angles P-C4'-P energy: -8.339 tors. eta vs tors. theta energy: -16.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -162.839111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.839111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.839111 (E_RNA) where: Base-Base interactions energy: -100.270 where: short stacking energy: -57.526 Base-Backbone interact. energy: -1.190 local terms energy: -61.379461 where: bonds (distance) C4'-P energy: -10.797 bonds (distance) P-C4' energy: -10.962 flat angles C4'-P-C4' energy: -13.446 flat angles P-C4'-P energy: -9.627 tors. eta vs tors. theta energy: -16.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -151.977772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.977772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.977772 (E_RNA) where: Base-Base interactions energy: -94.422 where: short stacking energy: -51.348 Base-Backbone interact. energy: -0.003 local terms energy: -57.553638 where: bonds (distance) C4'-P energy: -9.463 bonds (distance) P-C4' energy: -11.137 flat angles C4'-P-C4' energy: -14.053 flat angles P-C4'-P energy: -8.070 tors. eta vs tors. theta energy: -14.831 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: 5, replica: 5 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -147.028093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.028093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.028093 (E_RNA) where: Base-Base interactions energy: -92.461 where: short stacking energy: -41.898 Base-Backbone interact. energy: -0.085 local terms energy: -54.482210 where: bonds (distance) C4'-P energy: -12.344 bonds (distance) P-C4' energy: -13.371 flat angles C4'-P-C4' energy: -12.407 flat angles P-C4'-P energy: -7.712 tors. eta vs tors. theta energy: -8.649 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: 6 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -93.684594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.684594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.684594 (E_RNA) where: Base-Base interactions energy: -51.396 where: short stacking energy: -29.267 Base-Backbone interact. energy: 1.367 local terms energy: -43.655683 where: bonds (distance) C4'-P energy: -11.995 bonds (distance) P-C4' energy: -11.231 flat angles C4'-P-C4' energy: -9.152 flat angles P-C4'-P energy: -4.875 tors. eta vs tors. theta energy: -6.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -83.756810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.756810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.756810 (E_RNA) where: Base-Base interactions energy: -37.081 where: short stacking energy: -37.081 Base-Backbone interact. energy: -0.674 local terms energy: -46.002546 where: bonds (distance) C4'-P energy: -10.684 bonds (distance) P-C4' energy: -11.225 flat angles C4'-P-C4' energy: -10.761 flat angles P-C4'-P energy: -6.465 tors. eta vs tors. theta energy: -6.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -84.969314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.969314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.969314 (E_RNA) where: Base-Base interactions energy: -40.906 where: short stacking energy: -30.300 Base-Backbone interact. energy: -0.002 local terms energy: -44.061195 where: bonds (distance) C4'-P energy: -11.447 bonds (distance) P-C4' energy: -12.141 flat angles C4'-P-C4' energy: -10.248 flat angles P-C4'-P energy: -4.223 tors. eta vs tors. theta energy: -6.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -70.796326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.796326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.796326 (E_RNA) where: Base-Base interactions energy: -29.903 where: short stacking energy: -22.653 Base-Backbone interact. energy: -0.214 local terms energy: -40.679204 where: bonds (distance) C4'-P energy: -10.515 bonds (distance) P-C4' energy: -11.398 flat angles C4'-P-C4' energy: -12.442 flat angles P-C4'-P energy: -2.812 tors. eta vs tors. theta energy: -3.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -79.793669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.793669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.793669 (E_RNA) where: Base-Base interactions energy: -45.984 where: short stacking energy: -22.326 Base-Backbone interact. energy: -0.532 local terms energy: -33.278030 where: bonds (distance) C4'-P energy: -11.561 bonds (distance) P-C4' energy: -8.961 flat angles C4'-P-C4' energy: -9.236 flat angles P-C4'-P energy: -1.561 tors. eta vs tors. theta energy: -1.959 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: 22 Temperature: 0.900000 Total energy: -204.278153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.278153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.278153 (E_RNA) where: Base-Base interactions energy: -143.263 where: short stacking energy: -61.082 Base-Backbone interact. energy: -0.001 local terms energy: -61.013614 where: bonds (distance) C4'-P energy: -11.213 bonds (distance) P-C4' energy: -13.258 flat angles C4'-P-C4' energy: -13.257 flat angles P-C4'-P energy: -6.083 tors. eta vs tors. theta energy: -17.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -199.857795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.857795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.857795 (E_RNA) where: Base-Base interactions energy: -137.948 where: short stacking energy: -55.110 Base-Backbone interact. energy: -0.024 local terms energy: -61.886303 where: bonds (distance) C4'-P energy: -11.600 bonds (distance) P-C4' energy: -12.860 flat angles C4'-P-C4' energy: -12.610 flat angles P-C4'-P energy: -10.304 tors. eta vs tors. theta energy: -14.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -155.367673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.367673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.367673 (E_RNA) where: Base-Base interactions energy: -93.957 where: short stacking energy: -56.365 Base-Backbone interact. energy: -0.022 local terms energy: -61.389029 where: bonds (distance) C4'-P energy: -11.214 bonds (distance) P-C4' energy: -13.314 flat angles C4'-P-C4' energy: -12.980 flat angles P-C4'-P energy: -10.063 tors. eta vs tors. theta energy: -13.817 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: 4, replica: 8 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -146.385757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.385757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.385757 (E_RNA) where: Base-Base interactions energy: -99.526 where: short stacking energy: -43.126 Base-Backbone interact. energy: -0.281 local terms energy: -46.579016 where: bonds (distance) C4'-P energy: -9.074 bonds (distance) P-C4' energy: -11.450 flat angles C4'-P-C4' energy: -11.976 flat angles P-C4'-P energy: -4.177 tors. eta vs tors. theta energy: -9.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -145.487151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.487151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.487151 (E_RNA) where: Base-Base interactions energy: -88.420 where: short stacking energy: -39.064 Base-Backbone interact. energy: -0.627 local terms energy: -56.439364 where: bonds (distance) C4'-P energy: -8.064 bonds (distance) P-C4' energy: -14.897 flat angles C4'-P-C4' energy: -12.499 flat angles P-C4'-P energy: -7.555 tors. eta vs tors. theta energy: -13.424 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: 22 Temperature: 1.150000 Total energy: -79.459276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.459276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.459276 (E_RNA) where: Base-Base interactions energy: -32.888 where: short stacking energy: -27.186 Base-Backbone interact. energy: -0.487 local terms energy: -46.084991 where: bonds (distance) C4'-P energy: -13.674 bonds (distance) P-C4' energy: -12.962 flat angles C4'-P-C4' energy: -8.975 flat angles P-C4'-P energy: -5.164 tors. eta vs tors. theta energy: -5.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -71.969014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.969014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.969014 (E_RNA) where: Base-Base interactions energy: -28.765 where: short stacking energy: -25.113 Base-Backbone interact. energy: -0.191 local terms energy: -43.013385 where: bonds (distance) C4'-P energy: -9.178 bonds (distance) P-C4' energy: -12.764 flat angles C4'-P-C4' energy: -10.595 flat angles P-C4'-P energy: -10.465 tors. eta vs tors. theta energy: -0.012 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: 7 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -112.752892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.752892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.752892 (E_RNA) where: Base-Base interactions energy: -66.204 where: short stacking energy: -37.722 Base-Backbone interact. energy: -0.287 local terms energy: -46.261785 where: bonds (distance) C4'-P energy: -10.398 bonds (distance) P-C4' energy: -12.817 flat angles C4'-P-C4' energy: -11.373 flat angles P-C4'-P energy: -4.987 tors. eta vs tors. theta energy: -6.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -73.768293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.768293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.768293 (E_RNA) where: Base-Base interactions energy: -24.133 where: short stacking energy: -23.830 Base-Backbone interact. energy: -0.002 local terms energy: -49.633383 where: bonds (distance) C4'-P energy: -10.414 bonds (distance) P-C4' energy: -11.401 flat angles C4'-P-C4' energy: -12.958 flat angles P-C4'-P energy: -9.334 tors. eta vs tors. theta energy: -5.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -82.751584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.751584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.751584 (E_RNA) where: Base-Base interactions energy: -36.548 where: short stacking energy: -31.048 Base-Backbone interact. energy: -0.242 local terms energy: -45.961545 where: bonds (distance) C4'-P energy: -10.212 bonds (distance) P-C4' energy: -13.379 flat angles C4'-P-C4' energy: -11.678 flat angles P-C4'-P energy: -3.775 tors. eta vs tors. theta energy: -6.918 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: 1, replica: 9 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -203.609678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.609678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.609678 (E_RNA) where: Base-Base interactions energy: -139.105 where: short stacking energy: -58.527 Base-Backbone interact. energy: -0.002 local terms energy: -64.502121 where: bonds (distance) C4'-P energy: -12.377 bonds (distance) P-C4' energy: -14.159 flat angles C4'-P-C4' energy: -14.149 flat angles P-C4'-P energy: -8.751 tors. eta vs tors. theta energy: -15.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -199.897761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.897761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.897761 (E_RNA) where: Base-Base interactions energy: -137.216 where: short stacking energy: -58.544 Base-Backbone interact. energy: -0.011 local terms energy: -62.670972 where: bonds (distance) C4'-P energy: -12.199 bonds (distance) P-C4' energy: -15.834 flat angles C4'-P-C4' energy: -12.728 flat angles P-C4'-P energy: -5.457 tors. eta vs tors. theta energy: -16.453 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: 1 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -157.825006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.825006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.825006 (E_RNA) where: Base-Base interactions energy: -98.604 where: short stacking energy: -54.225 Base-Backbone interact. energy: -0.336 local terms energy: -58.884629 where: bonds (distance) C4'-P energy: -10.991 bonds (distance) P-C4' energy: -10.794 flat angles C4'-P-C4' energy: -12.958 flat angles P-C4'-P energy: -7.997 tors. eta vs tors. theta energy: -16.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -122.752623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.752623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.752623 (E_RNA) where: Base-Base interactions energy: -74.553 where: short stacking energy: -36.472 Base-Backbone interact. energy: -0.342 local terms energy: -47.857430 where: bonds (distance) C4'-P energy: -11.420 bonds (distance) P-C4' energy: -8.534 flat angles C4'-P-C4' energy: -13.004 flat angles P-C4'-P energy: -8.746 tors. eta vs tors. theta energy: -6.153 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: 8 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -157.814605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.814605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.814605 (E_RNA) where: Base-Base interactions energy: -98.736 where: short stacking energy: -50.490 Base-Backbone interact. energy: -0.327 local terms energy: -58.751625 where: bonds (distance) C4'-P energy: -10.682 bonds (distance) P-C4' energy: -11.936 flat angles C4'-P-C4' energy: -11.020 flat angles P-C4'-P energy: -11.613 tors. eta vs tors. theta energy: -13.500 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: 4 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -74.902434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.902434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.902434 (E_RNA) where: Base-Base interactions energy: -31.277 where: short stacking energy: -27.276 Base-Backbone interact. energy: 0.073 local terms energy: -43.698190 where: bonds (distance) C4'-P energy: -10.900 bonds (distance) P-C4' energy: -12.469 flat angles C4'-P-C4' energy: -11.006 flat angles P-C4'-P energy: -7.306 tors. eta vs tors. theta energy: -2.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -94.906274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.906274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.906274 (E_RNA) where: Base-Base interactions energy: -43.591 where: short stacking energy: -30.773 Base-Backbone interact. energy: 0.275 local terms energy: -51.589710 where: bonds (distance) C4'-P energy: -11.951 bonds (distance) P-C4' energy: -12.140 flat angles C4'-P-C4' energy: -11.747 flat angles P-C4'-P energy: -6.970 tors. eta vs tors. theta energy: -8.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -72.462696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.462696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.462696 (E_RNA) where: Base-Base interactions energy: -31.770 where: short stacking energy: -24.816 Base-Backbone interact. energy: -0.146 local terms energy: -40.547410 where: bonds (distance) C4'-P energy: -12.680 bonds (distance) P-C4' energy: -10.120 flat angles C4'-P-C4' energy: -12.818 flat angles P-C4'-P energy: -3.757 tors. eta vs tors. theta energy: -1.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -68.541433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.541433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.541433 (E_RNA) where: Base-Base interactions energy: -31.236 where: short stacking energy: -26.151 Base-Backbone interact. energy: -0.213 local terms energy: -37.092353 where: bonds (distance) C4'-P energy: -13.772 bonds (distance) P-C4' energy: -10.483 flat angles C4'-P-C4' energy: -8.285 flat angles P-C4'-P energy: -4.451 tors. eta vs tors. theta energy: -0.101 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: 23 Temperature: 1.350000 Total energy: -66.103697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.103697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.103697 (E_RNA) where: Base-Base interactions energy: -25.219 where: short stacking energy: -15.940 Base-Backbone interact. energy: -0.313 local terms energy: -40.571663 where: bonds (distance) C4'-P energy: -12.815 bonds (distance) P-C4' energy: -12.393 flat angles C4'-P-C4' energy: -11.269 flat angles P-C4'-P energy: -4.140 tors. eta vs tors. theta energy: 0.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -200.969404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.969404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.969404 (E_RNA) where: Base-Base interactions energy: -140.468 where: short stacking energy: -55.271 Base-Backbone interact. energy: -0.001 local terms energy: -60.500457 where: bonds (distance) C4'-P energy: -10.556 bonds (distance) P-C4' energy: -11.520 flat angles C4'-P-C4' energy: -14.962 flat angles P-C4'-P energy: -9.248 tors. eta vs tors. theta energy: -14.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -196.730248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.730248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.730248 (E_RNA) where: Base-Base interactions energy: -131.128 where: short stacking energy: -60.140 Base-Backbone interact. energy: -0.003 local terms energy: -65.598483 where: bonds (distance) C4'-P energy: -12.919 bonds (distance) P-C4' energy: -14.836 flat angles C4'-P-C4' energy: -13.421 flat angles P-C4'-P energy: -9.259 tors. eta vs tors. theta energy: -15.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -157.597232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.597232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.597232 (E_RNA) where: Base-Base interactions energy: -95.227 where: short stacking energy: -47.204 Base-Backbone interact. energy: -0.222 local terms energy: -62.147968 where: bonds (distance) C4'-P energy: -13.426 bonds (distance) P-C4' energy: -11.352 flat angles C4'-P-C4' energy: -12.436 flat angles P-C4'-P energy: -10.563 tors. eta vs tors. theta energy: -14.372 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: 5 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -132.992889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.992889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.992889 (E_RNA) where: Base-Base interactions energy: -86.806 where: short stacking energy: -43.055 Base-Backbone interact. energy: -0.200 local terms energy: -45.987333 where: bonds (distance) C4'-P energy: -7.692 bonds (distance) P-C4' energy: -9.555 flat angles C4'-P-C4' energy: -13.229 flat angles P-C4'-P energy: -7.190 tors. eta vs tors. theta energy: -8.321 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: 5, replica: 8 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -142.142460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.142460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.142460 (E_RNA) where: Base-Base interactions energy: -84.545 where: short stacking energy: -42.313 Base-Backbone interact. energy: -0.001 local terms energy: -57.596183 where: bonds (distance) C4'-P energy: -11.980 bonds (distance) P-C4' energy: -12.619 flat angles C4'-P-C4' energy: -13.924 flat angles P-C4'-P energy: -3.565 tors. eta vs tors. theta energy: -15.508 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: 4 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -78.890649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.890649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.890649 (E_RNA) where: Base-Base interactions energy: -39.492 where: short stacking energy: -28.264 Base-Backbone interact. energy: -0.085 local terms energy: -39.313640 where: bonds (distance) C4'-P energy: -9.615 bonds (distance) P-C4' energy: -7.941 flat angles C4'-P-C4' energy: -11.473 flat angles P-C4'-P energy: -8.455 tors. eta vs tors. theta energy: -1.831 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: 3 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -81.170973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.170973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.170973 (E_RNA) where: Base-Base interactions energy: -38.737 where: short stacking energy: -34.644 Base-Backbone interact. energy: -0.139 local terms energy: -42.294914 where: bonds (distance) C4'-P energy: -7.483 bonds (distance) P-C4' energy: -12.589 flat angles C4'-P-C4' energy: -11.683 flat angles P-C4'-P energy: -4.328 tors. eta vs tors. theta energy: -6.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -73.690055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.690055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.690055 (E_RNA) where: Base-Base interactions energy: -26.805 where: short stacking energy: -26.805 Base-Backbone interact. energy: -0.103 local terms energy: -46.781500 where: bonds (distance) C4'-P energy: -14.849 bonds (distance) P-C4' energy: -13.781 flat angles C4'-P-C4' energy: -9.696 flat angles P-C4'-P energy: -6.942 tors. eta vs tors. theta energy: -1.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -68.444184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.444184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.444184 (E_RNA) where: Base-Base interactions energy: -19.507 where: short stacking energy: -19.397 Base-Backbone interact. energy: 0.230 local terms energy: -49.167090 where: bonds (distance) C4'-P energy: -13.135 bonds (distance) P-C4' energy: -11.683 flat angles C4'-P-C4' energy: -13.557 flat angles P-C4'-P energy: -6.150 tors. eta vs tors. theta energy: -4.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -72.094669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.094669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.094669 (E_RNA) where: Base-Base interactions energy: -32.989 where: short stacking energy: -31.210 Base-Backbone interact. energy: -0.094 local terms energy: -39.011423 where: bonds (distance) C4'-P energy: -9.679 bonds (distance) P-C4' energy: -8.577 flat angles C4'-P-C4' energy: -7.124 flat angles P-C4'-P energy: -2.742 tors. eta vs tors. theta energy: -10.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -197.862672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.862672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.862672 (E_RNA) where: Base-Base interactions energy: -128.243 where: short stacking energy: -62.266 Base-Backbone interact. energy: -1.596 local terms energy: -68.023286 where: bonds (distance) C4'-P energy: -12.398 bonds (distance) P-C4' energy: -13.328 flat angles C4'-P-C4' energy: -13.985 flat angles P-C4'-P energy: -9.387 tors. eta vs tors. theta energy: -18.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -200.407055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.407055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.407055 (E_RNA) where: Base-Base interactions energy: -137.667 where: short stacking energy: -53.629 Base-Backbone interact. energy: -0.045 local terms energy: -62.694995 where: bonds (distance) C4'-P energy: -10.982 bonds (distance) P-C4' energy: -12.910 flat angles C4'-P-C4' energy: -13.637 flat angles P-C4'-P energy: -7.549 tors. eta vs tors. theta energy: -17.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -151.941492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.941492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.941492 (E_RNA) where: Base-Base interactions energy: -90.295 where: short stacking energy: -50.938 Base-Backbone interact. energy: -0.031 local terms energy: -61.615497 where: bonds (distance) C4'-P energy: -12.071 bonds (distance) P-C4' energy: -11.911 flat angles C4'-P-C4' energy: -12.428 flat angles P-C4'-P energy: -10.263 tors. eta vs tors. theta energy: -14.942 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: 4, replica: 8 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -142.596735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.596735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.596735 (E_RNA) where: Base-Base interactions energy: -85.380 where: short stacking energy: -45.350 Base-Backbone interact. energy: 0.577 local terms energy: -57.793646 where: bonds (distance) C4'-P energy: -13.566 bonds (distance) P-C4' energy: -15.143 flat angles C4'-P-C4' energy: -6.510 flat angles P-C4'-P energy: -9.498 tors. eta vs tors. theta energy: -13.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -138.660304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.660304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.660304 (E_RNA) where: Base-Base interactions energy: -86.254 where: short stacking energy: -44.300 Base-Backbone interact. energy: -0.203 local terms energy: -52.202514 where: bonds (distance) C4'-P energy: -13.789 bonds (distance) P-C4' energy: -8.525 flat angles C4'-P-C4' energy: -7.236 flat angles P-C4'-P energy: -9.858 tors. eta vs tors. theta energy: -12.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -88.664228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.664228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.664228 (E_RNA) where: Base-Base interactions energy: -45.809 where: short stacking energy: -39.164 Base-Backbone interact. energy: -0.001 local terms energy: -42.854138 where: bonds (distance) C4'-P energy: -9.906 bonds (distance) P-C4' energy: -6.934 flat angles C4'-P-C4' energy: -9.766 flat angles P-C4'-P energy: -2.848 tors. eta vs tors. theta energy: -13.400 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: 4 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -97.028476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.028476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.028476 (E_RNA) where: Base-Base interactions energy: -53.477 where: short stacking energy: -41.339 Base-Backbone interact. energy: -0.071 local terms energy: -43.480199 where: bonds (distance) C4'-P energy: -13.002 bonds (distance) P-C4' energy: -11.545 flat angles C4'-P-C4' energy: -10.013 flat angles P-C4'-P energy: -3.738 tors. eta vs tors. theta energy: -5.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -80.941031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.941031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.941031 (E_RNA) where: Base-Base interactions energy: -33.366 where: short stacking energy: -27.979 Base-Backbone interact. energy: -0.055 local terms energy: -47.520780 where: bonds (distance) C4'-P energy: -12.887 bonds (distance) P-C4' energy: -13.307 flat angles C4'-P-C4' energy: -6.798 flat angles P-C4'-P energy: -9.626 tors. eta vs tors. theta energy: -4.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -73.098569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.098569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.098569 (E_RNA) where: Base-Base interactions energy: -29.870 where: short stacking energy: -29.161 Base-Backbone interact. energy: -0.013 local terms energy: -43.214952 where: bonds (distance) C4'-P energy: -9.077 bonds (distance) P-C4' energy: -13.855 flat angles C4'-P-C4' energy: -12.170 flat angles P-C4'-P energy: -5.723 tors. eta vs tors. theta energy: -2.390 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: 10, replica: 7 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -67.312271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.312271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.312271 (E_RNA) where: Base-Base interactions energy: -23.413 where: short stacking energy: -20.292 Base-Backbone interact. energy: -0.015 local terms energy: -43.883772 where: bonds (distance) C4'-P energy: -8.519 bonds (distance) P-C4' energy: -13.380 flat angles C4'-P-C4' energy: -9.945 flat angles P-C4'-P energy: -5.779 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: 9 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -204.705069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.705069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.705069 (E_RNA) where: Base-Base interactions energy: -140.514 where: short stacking energy: -59.264 Base-Backbone interact. energy: -0.000 local terms energy: -64.190848 where: bonds (distance) C4'-P energy: -13.416 bonds (distance) P-C4' energy: -12.371 flat angles C4'-P-C4' energy: -14.775 flat angles P-C4'-P energy: -7.779 tors. eta vs tors. theta energy: -15.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -202.852418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.852418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.852418 (E_RNA) where: Base-Base interactions energy: -142.874 where: short stacking energy: -60.082 Base-Backbone interact. energy: -0.001 local terms energy: -59.977449 where: bonds (distance) C4'-P energy: -10.903 bonds (distance) P-C4' energy: -12.101 flat angles C4'-P-C4' energy: -12.799 flat angles P-C4'-P energy: -10.896 tors. eta vs tors. theta energy: -13.278 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: 26 Temperature: 1.000000 Total energy: -160.966638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.966638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.966638 (E_RNA) where: Base-Base interactions energy: -94.107 where: short stacking energy: -55.308 Base-Backbone interact. energy: 1.222 local terms energy: -68.081558 where: bonds (distance) C4'-P energy: -14.286 bonds (distance) P-C4' energy: -14.904 flat angles C4'-P-C4' energy: -11.738 flat angles P-C4'-P energy: -8.757 tors. eta vs tors. theta energy: -18.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -151.077216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.077216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.077216 (E_RNA) where: Base-Base interactions energy: -101.377 where: short stacking energy: -48.344 Base-Backbone interact. energy: -0.284 local terms energy: -49.416956 where: bonds (distance) C4'-P energy: -11.703 bonds (distance) P-C4' energy: -11.551 flat angles C4'-P-C4' energy: -9.413 flat angles P-C4'-P energy: -7.254 tors. eta vs tors. theta energy: -9.495 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: 5 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -147.316660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.316660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.316660 (E_RNA) where: Base-Base interactions energy: -93.328 where: short stacking energy: -41.900 Base-Backbone interact. energy: -0.005 local terms energy: -53.983945 where: bonds (distance) C4'-P energy: -13.726 bonds (distance) P-C4' energy: -12.451 flat angles C4'-P-C4' energy: -12.063 flat angles P-C4'-P energy: -7.853 tors. eta vs tors. theta energy: -7.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -81.143458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.143458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.143458 (E_RNA) where: Base-Base interactions energy: -41.081 where: short stacking energy: -23.310 Base-Backbone interact. energy: -0.155 local terms energy: -39.907283 where: bonds (distance) C4'-P energy: -4.387 bonds (distance) P-C4' energy: -13.078 flat angles C4'-P-C4' energy: -11.358 flat angles P-C4'-P energy: -6.590 tors. eta vs tors. theta energy: -4.494 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: 26 Temperature: 1.200000 Total energy: -93.348221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.348221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.348221 (E_RNA) where: Base-Base interactions energy: -45.325 where: short stacking energy: -21.381 Base-Backbone interact. energy: -0.269 local terms energy: -47.753531 where: bonds (distance) C4'-P energy: -13.684 bonds (distance) P-C4' energy: -12.147 flat angles C4'-P-C4' energy: -11.966 flat angles P-C4'-P energy: -8.011 tors. eta vs tors. theta energy: -1.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -76.711258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.711258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.711258 (E_RNA) where: Base-Base interactions energy: -31.036 where: short stacking energy: -24.138 Base-Backbone interact. energy: -0.027 local terms energy: -45.648140 where: bonds (distance) C4'-P energy: -12.613 bonds (distance) P-C4' energy: -12.533 flat angles C4'-P-C4' energy: -12.388 flat angles P-C4'-P energy: -5.106 tors. eta vs tors. theta energy: -3.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -67.183379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.183379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.183379 (E_RNA) where: Base-Base interactions energy: -23.412 where: short stacking energy: -23.412 Base-Backbone interact. energy: 0.246 local terms energy: -44.017282 where: bonds (distance) C4'-P energy: -13.127 bonds (distance) P-C4' energy: -14.442 flat angles C4'-P-C4' energy: -9.243 flat angles P-C4'-P energy: -9.818 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: 26 Temperature: 1.350000 Total energy: -63.466223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.466223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.466223 (E_RNA) where: Base-Base interactions energy: -24.504 where: short stacking energy: -15.395 Base-Backbone interact. energy: -0.199 local terms energy: -38.763619 where: bonds (distance) C4'-P energy: -13.354 bonds (distance) P-C4' energy: -11.480 flat angles C4'-P-C4' energy: -7.886 flat angles P-C4'-P energy: -6.674 tors. eta vs tors. theta energy: 0.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -203.846244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.846244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.846244 (E_RNA) where: Base-Base interactions energy: -142.120 where: short stacking energy: -63.645 Base-Backbone interact. energy: -0.008 local terms energy: -61.717706 where: bonds (distance) C4'-P energy: -11.437 bonds (distance) P-C4' energy: -12.445 flat angles C4'-P-C4' energy: -13.286 flat angles P-C4'-P energy: -8.241 tors. eta vs tors. theta energy: -16.309 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: 2 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -201.847139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.847139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.847139 (E_RNA) where: Base-Base interactions energy: -138.709 where: short stacking energy: -55.712 Base-Backbone interact. energy: -0.366 local terms energy: -62.772618 where: bonds (distance) C4'-P energy: -9.235 bonds (distance) P-C4' energy: -12.562 flat angles C4'-P-C4' energy: -14.594 flat angles P-C4'-P energy: -8.750 tors. eta vs tors. theta energy: -17.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -159.754256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.754256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.754256 (E_RNA) where: Base-Base interactions energy: -97.224 where: short stacking energy: -48.983 Base-Backbone interact. energy: -0.843 local terms energy: -61.687566 where: bonds (distance) C4'-P energy: -13.072 bonds (distance) P-C4' energy: -14.432 flat angles C4'-P-C4' energy: -12.262 flat angles P-C4'-P energy: -6.498 tors. eta vs tors. theta energy: -15.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -156.844792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.844792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.844792 (E_RNA) where: Base-Base interactions energy: -92.502 where: short stacking energy: -52.749 Base-Backbone interact. energy: -0.001 local terms energy: -64.342010 where: bonds (distance) C4'-P energy: -13.475 bonds (distance) P-C4' energy: -12.100 flat angles C4'-P-C4' energy: -12.482 flat angles P-C4'-P energy: -10.060 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: 5, replica: 8 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -142.993288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.993288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.993288 (E_RNA) where: Base-Base interactions energy: -93.981 where: short stacking energy: -35.096 Base-Backbone interact. energy: -0.296 local terms energy: -48.715423 where: bonds (distance) C4'-P energy: -12.571 bonds (distance) P-C4' energy: -10.740 flat angles C4'-P-C4' energy: -10.060 flat angles P-C4'-P energy: -4.239 tors. eta vs tors. theta energy: -11.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -134.931148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.931148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.931148 (E_RNA) where: Base-Base interactions energy: -79.054 where: short stacking energy: -39.873 Base-Backbone interact. energy: -0.099 local terms energy: -55.778230 where: bonds (distance) C4'-P energy: -10.887 bonds (distance) P-C4' energy: -12.790 flat angles C4'-P-C4' energy: -12.626 flat angles P-C4'-P energy: -8.704 tors. eta vs tors. theta energy: -10.771 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: 3 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -70.089727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.089727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.089727 (E_RNA) where: Base-Base interactions energy: -23.224 where: short stacking energy: -23.224 Base-Backbone interact. energy: -0.085 local terms energy: -46.781249 where: bonds (distance) C4'-P energy: -7.858 bonds (distance) P-C4' energy: -12.327 flat angles C4'-P-C4' energy: -15.016 flat angles P-C4'-P energy: -8.420 tors. eta vs tors. theta energy: -3.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -88.547496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.547496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.547496 (E_RNA) where: Base-Base interactions energy: -43.465 where: short stacking energy: -29.592 Base-Backbone interact. energy: 0.142 local terms energy: -45.224895 where: bonds (distance) C4'-P energy: -11.793 bonds (distance) P-C4' energy: -13.281 flat angles C4'-P-C4' energy: -10.451 flat angles P-C4'-P energy: -5.944 tors. eta vs tors. theta energy: -3.756 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: 27 Temperature: 1.300000 Total energy: -80.130666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.130666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.130666 (E_RNA) where: Base-Base interactions energy: -36.322 where: short stacking energy: -29.166 Base-Backbone interact. energy: 0.816 local terms energy: -44.624840 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -14.196 flat angles C4'-P-C4' energy: -9.882 flat angles P-C4'-P energy: -8.241 tors. eta vs tors. theta energy: -4.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -71.653924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.653924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.653924 (E_RNA) where: Base-Base interactions energy: -29.028 where: short stacking energy: -26.741 Base-Backbone interact. energy: 2.591 local terms energy: -45.217292 where: bonds (distance) C4'-P energy: -10.472 bonds (distance) P-C4' energy: -13.966 flat angles C4'-P-C4' energy: -10.105 flat angles P-C4'-P energy: -6.288 tors. eta vs tors. theta energy: -4.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -201.903623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.903623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.903623 (E_RNA) where: Base-Base interactions energy: -139.244 where: short stacking energy: -59.233 Base-Backbone interact. energy: 0.233 local terms energy: -62.891928 where: bonds (distance) C4'-P energy: -9.173 bonds (distance) P-C4' energy: -13.494 flat angles C4'-P-C4' energy: -13.748 flat angles P-C4'-P energy: -11.238 tors. eta vs tors. theta energy: -15.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -198.890134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.890134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.890134 (E_RNA) where: Base-Base interactions energy: -134.908 where: short stacking energy: -57.694 Base-Backbone interact. energy: -0.018 local terms energy: -63.964387 where: bonds (distance) C4'-P energy: -13.383 bonds (distance) P-C4' energy: -13.631 flat angles C4'-P-C4' energy: -9.988 flat angles P-C4'-P energy: -8.512 tors. eta vs tors. theta energy: -18.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -156.295939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.295939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.295939 (E_RNA) where: Base-Base interactions energy: -100.052 where: short stacking energy: -52.697 Base-Backbone interact. energy: -0.001 local terms energy: -56.242799 where: bonds (distance) C4'-P energy: -11.783 bonds (distance) P-C4' energy: -13.727 flat angles C4'-P-C4' energy: -8.542 flat angles P-C4'-P energy: -7.503 tors. eta vs tors. theta energy: -14.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -141.325050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.325050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.325050 (E_RNA) where: Base-Base interactions energy: -85.506 where: short stacking energy: -36.780 Base-Backbone interact. energy: -0.588 local terms energy: -55.231187 where: bonds (distance) C4'-P energy: -10.122 bonds (distance) P-C4' energy: -12.138 flat angles C4'-P-C4' energy: -14.922 flat angles P-C4'-P energy: -9.853 tors. eta vs tors. theta energy: -8.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -164.204906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.204906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.204906 (E_RNA) where: Base-Base interactions energy: -101.294 where: short stacking energy: -58.776 Base-Backbone interact. energy: -0.063 local terms energy: -62.847693 where: bonds (distance) C4'-P energy: -8.814 bonds (distance) P-C4' energy: -13.339 flat angles C4'-P-C4' energy: -12.980 flat angles P-C4'-P energy: -9.961 tors. eta vs tors. theta energy: -17.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -108.270531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.270531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.270531 (E_RNA) where: Base-Base interactions energy: -64.630 where: short stacking energy: -36.508 Base-Backbone interact. energy: -0.214 local terms energy: -43.426881 where: bonds (distance) C4'-P energy: -9.226 bonds (distance) P-C4' energy: -9.563 flat angles C4'-P-C4' energy: -7.153 flat angles P-C4'-P energy: -6.659 tors. eta vs tors. theta energy: -10.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -82.447869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.447869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.447869 (E_RNA) where: Base-Base interactions energy: -36.254 where: short stacking energy: -15.129 Base-Backbone interact. energy: -0.164 local terms energy: -46.029617 where: bonds (distance) C4'-P energy: -10.887 bonds (distance) P-C4' energy: -12.195 flat angles C4'-P-C4' energy: -11.562 flat angles P-C4'-P energy: -9.409 tors. eta vs tors. theta energy: -1.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -75.677969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.677969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.677969 (E_RNA) where: Base-Base interactions energy: -28.157 where: short stacking energy: -22.170 Base-Backbone interact. energy: -0.038 local terms energy: -47.482291 where: bonds (distance) C4'-P energy: -11.408 bonds (distance) P-C4' energy: -11.619 flat angles C4'-P-C4' energy: -12.352 flat angles P-C4'-P energy: -7.801 tors. eta vs tors. theta energy: -4.302 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: 28 Temperature: 1.300000 Total energy: -81.271131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.271131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.271131 (E_RNA) where: Base-Base interactions energy: -35.919 where: short stacking energy: -22.324 Base-Backbone interact. energy: -0.192 local terms energy: -45.159657 where: bonds (distance) C4'-P energy: -13.197 bonds (distance) P-C4' energy: -10.697 flat angles C4'-P-C4' energy: -10.932 flat angles P-C4'-P energy: -7.940 tors. eta vs tors. theta energy: -2.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -63.447067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.447067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.447067 (E_RNA) where: Base-Base interactions energy: -20.383 where: short stacking energy: -20.383 Base-Backbone interact. energy: -0.176 local terms energy: -42.887862 where: bonds (distance) C4'-P energy: -8.667 bonds (distance) P-C4' energy: -12.582 flat angles C4'-P-C4' energy: -11.267 flat angles P-C4'-P energy: -6.742 tors. eta vs tors. theta energy: -3.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -202.876478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.876478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.876478 (E_RNA) where: Base-Base interactions energy: -141.975 where: short stacking energy: -61.657 Base-Backbone interact. energy: -0.028 local terms energy: -60.874080 where: bonds (distance) C4'-P energy: -11.623 bonds (distance) P-C4' energy: -13.193 flat angles C4'-P-C4' energy: -13.847 flat angles P-C4'-P energy: -9.188 tors. eta vs tors. theta energy: -13.023 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: 2 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -199.150713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.150713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.150713 (E_RNA) where: Base-Base interactions energy: -134.887 where: short stacking energy: -59.349 Base-Backbone interact. energy: -0.096 local terms energy: -64.167900 where: bonds (distance) C4'-P energy: -11.890 bonds (distance) P-C4' energy: -14.231 flat angles C4'-P-C4' energy: -13.020 flat angles P-C4'-P energy: -7.246 tors. eta vs tors. theta energy: -17.781 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: 5 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -151.790748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.790748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.790748 (E_RNA) where: Base-Base interactions energy: -96.759 where: short stacking energy: -52.546 Base-Backbone interact. energy: -0.054 local terms energy: -54.977684 where: bonds (distance) C4'-P energy: -9.301 bonds (distance) P-C4' energy: -13.539 flat angles C4'-P-C4' energy: -11.664 flat angles P-C4'-P energy: -5.359 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: 4, replica: 8 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -152.133060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.133060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.133060 (E_RNA) where: Base-Base interactions energy: -99.349 where: short stacking energy: -38.518 Base-Backbone interact. energy: -0.400 local terms energy: -52.383516 where: bonds (distance) C4'-P energy: -10.311 bonds (distance) P-C4' energy: -12.012 flat angles C4'-P-C4' energy: -13.036 flat angles P-C4'-P energy: -1.128 tors. eta vs tors. theta energy: -15.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -145.402687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.402687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.402687 (E_RNA) where: Base-Base interactions energy: -90.921 where: short stacking energy: -45.089 Base-Backbone interact. energy: -0.024 local terms energy: -54.457547 where: bonds (distance) C4'-P energy: -10.700 bonds (distance) P-C4' energy: -12.077 flat angles C4'-P-C4' energy: -11.440 flat angles P-C4'-P energy: -6.170 tors. eta vs tors. theta energy: -14.071 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: 29 Temperature: 1.150000 Total energy: -82.378852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.378852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.378852 (E_RNA) where: Base-Base interactions energy: -39.901 where: short stacking energy: -39.901 Base-Backbone interact. energy: -0.100 local terms energy: -42.377917 where: bonds (distance) C4'-P energy: -8.651 bonds (distance) P-C4' energy: -12.423 flat angles C4'-P-C4' energy: -9.984 flat angles P-C4'-P energy: -3.326 tors. eta vs tors. theta energy: -7.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -99.637291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.637291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.637291 (E_RNA) where: Base-Base interactions energy: -63.152 where: short stacking energy: -21.393 Base-Backbone interact. energy: -1.091 local terms energy: -35.394660 where: bonds (distance) C4'-P energy: -6.659 bonds (distance) P-C4' energy: -15.122 flat angles C4'-P-C4' energy: -4.473 flat angles P-C4'-P energy: -3.601 tors. eta vs tors. theta energy: -5.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -71.886300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.886300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.886300 (E_RNA) where: Base-Base interactions energy: -25.723 where: short stacking energy: -25.227 Base-Backbone interact. energy: 0.103 local terms energy: -46.265657 where: bonds (distance) C4'-P energy: -9.835 bonds (distance) P-C4' energy: -14.364 flat angles C4'-P-C4' energy: -12.327 flat angles P-C4'-P energy: -2.879 tors. eta vs tors. theta energy: -6.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -67.329457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.329457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.329457 (E_RNA) where: Base-Base interactions energy: -24.037 where: short stacking energy: -24.037 Base-Backbone interact. energy: -0.224 local terms energy: -43.069019 where: bonds (distance) C4'-P energy: -9.317 bonds (distance) P-C4' energy: -12.232 flat angles C4'-P-C4' energy: -10.849 flat angles P-C4'-P energy: -8.427 tors. eta vs tors. theta energy: -2.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -63.494644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.494644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.494644 (E_RNA) where: Base-Base interactions energy: -26.879 where: short stacking energy: -20.747 Base-Backbone interact. energy: -0.073 local terms energy: -36.542040 where: bonds (distance) C4'-P energy: -12.021 bonds (distance) P-C4' energy: -12.408 flat angles C4'-P-C4' energy: -4.527 flat angles P-C4'-P energy: -5.338 tors. eta vs tors. theta energy: -2.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -204.706325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.706325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.706325 (E_RNA) where: Base-Base interactions energy: -139.466 where: short stacking energy: -57.858 Base-Backbone interact. energy: -0.014 local terms energy: -65.226653 where: bonds (distance) C4'-P energy: -14.348 bonds (distance) P-C4' energy: -14.174 flat angles C4'-P-C4' energy: -11.341 flat angles P-C4'-P energy: -7.364 tors. eta vs tors. theta energy: -18.000 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: 9 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -191.977868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.977868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.977868 (E_RNA) where: Base-Base interactions energy: -128.469 where: short stacking energy: -50.583 Base-Backbone interact. energy: -0.009 local terms energy: -63.500170 where: bonds (distance) C4'-P energy: -14.386 bonds (distance) P-C4' energy: -14.272 flat angles C4'-P-C4' energy: -10.472 flat angles P-C4'-P energy: -8.781 tors. eta vs tors. theta energy: -15.590 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: 5 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -146.132414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.132414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.132414 (E_RNA) where: Base-Base interactions energy: -96.151 where: short stacking energy: -37.834 Base-Backbone interact. energy: -0.482 local terms energy: -49.498840 where: bonds (distance) C4'-P energy: -9.493 bonds (distance) P-C4' energy: -11.778 flat angles C4'-P-C4' energy: -11.255 flat angles P-C4'-P energy: -7.807 tors. eta vs tors. theta energy: -9.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -151.164370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.164370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.164370 (E_RNA) where: Base-Base interactions energy: -97.052 where: short stacking energy: -57.899 Base-Backbone interact. energy: -0.026 local terms energy: -54.086344 where: bonds (distance) C4'-P energy: -9.765 bonds (distance) P-C4' energy: -11.555 flat angles C4'-P-C4' energy: -10.204 flat angles P-C4'-P energy: -8.856 tors. eta vs tors. theta energy: -13.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -133.047786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.047786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.047786 (E_RNA) where: Base-Base interactions energy: -84.541 where: short stacking energy: -43.861 Base-Backbone interact. energy: 0.939 local terms energy: -49.446645 where: bonds (distance) C4'-P energy: -9.918 bonds (distance) P-C4' energy: -13.712 flat angles C4'-P-C4' energy: -10.407 flat angles P-C4'-P energy: -6.239 tors. eta vs tors. theta energy: -9.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -82.346226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.346226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.346226 (E_RNA) where: Base-Base interactions energy: -44.106 where: short stacking energy: -41.084 Base-Backbone interact. energy: -0.060 local terms energy: -38.181186 where: bonds (distance) C4'-P energy: -9.720 bonds (distance) P-C4' energy: -10.813 flat angles C4'-P-C4' energy: -7.847 flat angles P-C4'-P energy: -2.525 tors. eta vs tors. theta energy: -7.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -75.907811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.907811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.907811 (E_RNA) where: Base-Base interactions energy: -26.255 where: short stacking energy: -27.496 Base-Backbone interact. energy: -0.119 local terms energy: -49.533915 where: bonds (distance) C4'-P energy: -11.641 bonds (distance) P-C4' energy: -10.781 flat angles C4'-P-C4' energy: -11.897 flat angles P-C4'-P energy: -10.586 tors. eta vs tors. theta energy: -4.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -71.348372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.348372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.348372 (E_RNA) where: Base-Base interactions energy: -26.365 where: short stacking energy: -21.815 Base-Backbone interact. energy: -0.113 local terms energy: -44.869723 where: bonds (distance) C4'-P energy: -11.844 bonds (distance) P-C4' energy: -9.778 flat angles C4'-P-C4' energy: -11.595 flat angles P-C4'-P energy: -4.785 tors. eta vs tors. theta energy: -6.867 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: 9, replica: 4 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -79.840185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.840185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.840185 (E_RNA) where: Base-Base interactions energy: -33.351 where: short stacking energy: -26.077 Base-Backbone interact. energy: -0.473 local terms energy: -46.015779 where: bonds (distance) C4'-P energy: -6.171 bonds (distance) P-C4' energy: -11.351 flat angles C4'-P-C4' energy: -14.018 flat angles P-C4'-P energy: -9.114 tors. eta vs tors. theta energy: -5.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -65.323526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.323526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.323526 (E_RNA) where: Base-Base interactions energy: -24.641 where: short stacking energy: -24.590 Base-Backbone interact. energy: -0.009 local terms energy: -40.673882 where: bonds (distance) C4'-P energy: -11.847 bonds (distance) P-C4' energy: -11.607 flat angles C4'-P-C4' energy: -6.786 flat angles P-C4'-P energy: -5.784 tors. eta vs tors. theta energy: -4.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -204.346279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.346279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.346279 (E_RNA) where: Base-Base interactions energy: -139.075 where: short stacking energy: -59.622 Base-Backbone interact. energy: -0.001 local terms energy: -65.270618 where: bonds (distance) C4'-P energy: -14.095 bonds (distance) P-C4' energy: -12.522 flat angles C4'-P-C4' energy: -12.413 flat angles P-C4'-P energy: -8.378 tors. eta vs tors. theta energy: -17.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -152.366706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.366706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.366706 (E_RNA) where: Base-Base interactions energy: -97.347 where: short stacking energy: -39.626 Base-Backbone interact. energy: -0.096 local terms energy: -54.923451 where: bonds (distance) C4'-P energy: -14.120 bonds (distance) P-C4' energy: -12.391 flat angles C4'-P-C4' energy: -11.778 flat angles P-C4'-P energy: -8.204 tors. eta vs tors. theta energy: -8.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -185.438768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.438768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.438768 (E_RNA) where: Base-Base interactions energy: -125.267 where: short stacking energy: -54.227 Base-Backbone interact. energy: -0.000 local terms energy: -60.171871 where: bonds (distance) C4'-P energy: -12.121 bonds (distance) P-C4' energy: -12.399 flat angles C4'-P-C4' energy: -8.569 flat angles P-C4'-P energy: -9.078 tors. eta vs tors. theta energy: -18.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -132.433388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.433388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.433388 (E_RNA) where: Base-Base interactions energy: -78.271 where: short stacking energy: -31.123 Base-Backbone interact. energy: -0.186 local terms energy: -53.976694 where: bonds (distance) C4'-P energy: -11.115 bonds (distance) P-C4' energy: -14.463 flat angles C4'-P-C4' energy: -12.372 flat angles P-C4'-P energy: -11.048 tors. eta vs tors. theta energy: -4.978 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: 5, replica: 8 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -124.729918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.729918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.729918 (E_RNA) where: Base-Base interactions energy: -80.342 where: short stacking energy: -44.679 Base-Backbone interact. energy: -0.023 local terms energy: -44.365247 where: bonds (distance) C4'-P energy: -8.341 bonds (distance) P-C4' energy: -11.701 flat angles C4'-P-C4' energy: -9.423 flat angles P-C4'-P energy: -5.416 tors. eta vs tors. theta energy: -9.485 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: 10 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -86.668222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.668222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.668222 (E_RNA) where: Base-Base interactions energy: -41.951 where: short stacking energy: -26.069 Base-Backbone interact. energy: 0.875 local terms energy: -45.592290 where: bonds (distance) C4'-P energy: -8.626 bonds (distance) P-C4' energy: -13.445 flat angles C4'-P-C4' energy: -11.549 flat angles P-C4'-P energy: -6.485 tors. eta vs tors. theta energy: -5.487 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: 7, replica: 6 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -79.066221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.066221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.066221 (E_RNA) where: Base-Base interactions energy: -40.161 where: short stacking energy: -34.958 Base-Backbone interact. energy: -0.071 local terms energy: -38.833579 where: bonds (distance) C4'-P energy: -11.756 bonds (distance) P-C4' energy: -12.211 flat angles C4'-P-C4' energy: -4.336 flat angles P-C4'-P energy: -3.593 tors. eta vs tors. theta energy: -6.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -76.588199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.588199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.588199 (E_RNA) where: Base-Base interactions energy: -33.237 where: short stacking energy: -13.094 Base-Backbone interact. energy: -0.580 local terms energy: -42.771474 where: bonds (distance) C4'-P energy: -10.527 bonds (distance) P-C4' energy: -12.560 flat angles C4'-P-C4' energy: -12.826 flat angles P-C4'-P energy: -7.486 tors. eta vs tors. theta energy: 0.628 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: 7 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -70.577297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.577297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.577297 (E_RNA) where: Base-Base interactions energy: -32.259 where: short stacking energy: -23.430 Base-Backbone interact. energy: -1.123 local terms energy: -37.196000 where: bonds (distance) C4'-P energy: -9.791 bonds (distance) P-C4' energy: -8.881 flat angles C4'-P-C4' energy: -10.195 flat angles P-C4'-P energy: -4.951 tors. eta vs tors. theta energy: -3.378 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: 3 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -61.094828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.094828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.094828 (E_RNA) where: Base-Base interactions energy: -25.932 where: short stacking energy: -25.932 Base-Backbone interact. energy: -0.412 local terms energy: -34.750986 where: bonds (distance) C4'-P energy: -10.585 bonds (distance) P-C4' energy: -11.347 flat angles C4'-P-C4' energy: -3.264 flat angles P-C4'-P energy: -3.637 tors. eta vs tors. theta energy: -5.917 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: 2 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -205.079062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.079062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.079062 (E_RNA) where: Base-Base interactions energy: -140.881 where: short stacking energy: -57.613 Base-Backbone interact. energy: -0.027 local terms energy: -64.171799 where: bonds (distance) C4'-P energy: -12.809 bonds (distance) P-C4' energy: -13.339 flat angles C4'-P-C4' energy: -12.484 flat angles P-C4'-P energy: -7.688 tors. eta vs tors. theta energy: -17.852 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: 5 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -160.528596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.528596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.528596 (E_RNA) where: Base-Base interactions energy: -98.568 where: short stacking energy: -47.231 Base-Backbone interact. energy: -0.176 local terms energy: -61.784181 where: bonds (distance) C4'-P energy: -10.617 bonds (distance) P-C4' energy: -14.156 flat angles C4'-P-C4' energy: -14.403 flat angles P-C4'-P energy: -10.120 tors. eta vs tors. theta energy: -12.488 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: 3, replica: 1 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -140.832477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.832477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.832477 (E_RNA) where: Base-Base interactions energy: -92.858 where: short stacking energy: -38.406 Base-Backbone interact. energy: 0.547 local terms energy: -48.521696 where: bonds (distance) C4'-P energy: -12.687 bonds (distance) P-C4' energy: -14.290 flat angles C4'-P-C4' energy: -10.354 flat angles P-C4'-P energy: -3.261 tors. eta vs tors. theta energy: -7.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -193.487283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.487283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.487283 (E_RNA) where: Base-Base interactions energy: -135.131 where: short stacking energy: -53.729 Base-Backbone interact. energy: -0.503 local terms energy: -57.853315 where: bonds (distance) C4'-P energy: -12.165 bonds (distance) P-C4' energy: -14.152 flat angles C4'-P-C4' energy: -12.397 flat angles P-C4'-P energy: -6.253 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: 5, replica: 8 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -152.410120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.410120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.410120 (E_RNA) where: Base-Base interactions energy: -102.678 where: short stacking energy: -47.532 Base-Backbone interact. energy: 0.863 local terms energy: -50.595148 where: bonds (distance) C4'-P energy: -8.895 bonds (distance) P-C4' energy: -12.356 flat angles C4'-P-C4' energy: -11.336 flat angles P-C4'-P energy: -3.372 tors. eta vs tors. theta energy: -14.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -80.481124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.481124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.481124 (E_RNA) where: Base-Base interactions energy: -37.037 where: short stacking energy: -37.037 Base-Backbone interact. energy: -0.570 local terms energy: -42.874191 where: bonds (distance) C4'-P energy: -9.102 bonds (distance) P-C4' energy: -11.237 flat angles C4'-P-C4' energy: -10.667 flat angles P-C4'-P energy: -3.807 tors. eta vs tors. theta energy: -8.061 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: 32 Temperature: 1.200000 Total energy: -77.908213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.908213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.908213 (E_RNA) where: Base-Base interactions energy: -29.600 where: short stacking energy: -29.600 Base-Backbone interact. energy: -0.048 local terms energy: -48.260963 where: bonds (distance) C4'-P energy: -8.718 bonds (distance) P-C4' energy: -13.187 flat angles C4'-P-C4' energy: -11.337 flat angles P-C4'-P energy: -11.013 tors. eta vs tors. theta energy: -4.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -75.414829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.414829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.414829 (E_RNA) where: Base-Base interactions energy: -36.744 where: short stacking energy: -36.744 Base-Backbone interact. energy: -0.099 local terms energy: -38.572375 where: bonds (distance) C4'-P energy: -7.865 bonds (distance) P-C4' energy: -10.746 flat angles C4'-P-C4' energy: -5.030 flat angles P-C4'-P energy: -7.511 tors. eta vs tors. theta energy: -7.420 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: 9, replica: 3 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -62.111785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.111785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.111785 (E_RNA) where: Base-Base interactions energy: -18.611 where: short stacking energy: -18.567 Base-Backbone interact. energy: -0.081 local terms energy: -43.419997 where: bonds (distance) C4'-P energy: -9.537 bonds (distance) P-C4' energy: -14.523 flat angles C4'-P-C4' energy: -8.424 flat angles P-C4'-P energy: -8.975 tors. eta vs tors. theta energy: -1.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -68.653900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.653900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.653900 (E_RNA) where: Base-Base interactions energy: -28.715 where: short stacking energy: -7.854 Base-Backbone interact. energy: -0.657 local terms energy: -39.282097 where: bonds (distance) C4'-P energy: -8.650 bonds (distance) P-C4' energy: -14.220 flat angles C4'-P-C4' energy: -12.172 flat angles P-C4'-P energy: -7.600 tors. eta vs tors. theta energy: 3.361 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: 2 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -211.432336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.432336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.432336 (E_RNA) where: Base-Base interactions energy: -146.449 where: short stacking energy: -61.240 Base-Backbone interact. energy: -0.002 local terms energy: -64.981482 where: bonds (distance) C4'-P energy: -12.811 bonds (distance) P-C4' energy: -11.334 flat angles C4'-P-C4' energy: -13.405 flat angles P-C4'-P energy: -10.664 tors. eta vs tors. theta energy: -16.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -134.437619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.437619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.437619 (E_RNA) where: Base-Base interactions energy: -88.732 where: short stacking energy: -33.069 Base-Backbone interact. energy: -2.917 local terms energy: -42.788336 where: bonds (distance) C4'-P energy: -11.479 bonds (distance) P-C4' energy: -13.449 flat angles C4'-P-C4' energy: -8.515 flat angles P-C4'-P energy: -2.795 tors. eta vs tors. theta energy: -6.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -163.760557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.760557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.760557 (E_RNA) where: Base-Base interactions energy: -103.872 where: short stacking energy: -46.114 Base-Backbone interact. energy: -0.115 local terms energy: -59.773798 where: bonds (distance) C4'-P energy: -13.321 bonds (distance) P-C4' energy: -13.765 flat angles C4'-P-C4' energy: -12.226 flat angles P-C4'-P energy: -6.942 tors. eta vs tors. theta energy: -13.519 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: 33 Temperature: 1.050000 Total energy: -146.162506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.162506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.162506 (E_RNA) where: Base-Base interactions energy: -87.245 where: short stacking energy: -41.924 Base-Backbone interact. energy: -0.632 local terms energy: -58.285115 where: bonds (distance) C4'-P energy: -11.550 bonds (distance) P-C4' energy: -12.318 flat angles C4'-P-C4' energy: -13.674 flat angles P-C4'-P energy: -6.530 tors. eta vs tors. theta energy: -14.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -191.691102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.691102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.691102 (E_RNA) where: Base-Base interactions energy: -133.185 where: short stacking energy: -56.495 Base-Backbone interact. energy: -0.123 local terms energy: -58.383392 where: bonds (distance) C4'-P energy: -11.177 bonds (distance) P-C4' energy: -10.678 flat angles C4'-P-C4' energy: -13.626 flat angles P-C4'-P energy: -7.717 tors. eta vs tors. theta energy: -15.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -70.459929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.459929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.459929 (E_RNA) where: Base-Base interactions energy: -26.150 where: short stacking energy: -25.344 Base-Backbone interact. energy: -0.174 local terms energy: -44.135451 where: bonds (distance) C4'-P energy: -8.137 bonds (distance) P-C4' energy: -14.199 flat angles C4'-P-C4' energy: -9.567 flat angles P-C4'-P energy: -8.085 tors. eta vs tors. theta energy: -4.147 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: 7, replica: 10 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -72.622096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.622096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.622096 (E_RNA) where: Base-Base interactions energy: -31.255 where: short stacking energy: -22.784 Base-Backbone interact. energy: -0.023 local terms energy: -41.344234 where: bonds (distance) C4'-P energy: -9.094 bonds (distance) P-C4' energy: -13.106 flat angles C4'-P-C4' energy: -11.847 flat angles P-C4'-P energy: -7.429 tors. eta vs tors. theta energy: 0.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -65.501217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.501217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.501217 (E_RNA) where: Base-Base interactions energy: -28.906 where: short stacking energy: -18.424 Base-Backbone interact. energy: -0.284 local terms energy: -36.311129 where: bonds (distance) C4'-P energy: -5.286 bonds (distance) P-C4' energy: -13.085 flat angles C4'-P-C4' energy: -5.387 flat angles P-C4'-P energy: -11.168 tors. eta vs tors. theta energy: -1.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -80.852861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.852861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.852861 (E_RNA) where: Base-Base interactions energy: -37.288 where: short stacking energy: -36.628 Base-Backbone interact. energy: -0.038 local terms energy: -43.526858 where: bonds (distance) C4'-P energy: -7.739 bonds (distance) P-C4' energy: -13.660 flat angles C4'-P-C4' energy: -10.498 flat angles P-C4'-P energy: -7.729 tors. eta vs tors. theta energy: -3.901 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: 7 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -96.007058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.007058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.007058 (E_RNA) where: Base-Base interactions energy: -56.094 where: short stacking energy: -27.886 Base-Backbone interact. energy: -0.060 local terms energy: -39.852715 where: bonds (distance) C4'-P energy: -9.863 bonds (distance) P-C4' energy: -12.792 flat angles C4'-P-C4' energy: -9.176 flat angles P-C4'-P energy: -8.580 tors. eta vs tors. theta energy: 0.558 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: 2 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -202.102769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.102769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.102769 (E_RNA) where: Base-Base interactions energy: -138.991 where: short stacking energy: -56.652 Base-Backbone interact. energy: -0.007 local terms energy: -63.104579 where: bonds (distance) C4'-P energy: -13.106 bonds (distance) P-C4' energy: -12.723 flat angles C4'-P-C4' energy: -14.351 flat angles P-C4'-P energy: -8.639 tors. eta vs tors. theta energy: -14.286 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: 1 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -143.037123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.037123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.037123 (E_RNA) where: Base-Base interactions energy: -86.829 where: short stacking energy: -49.014 Base-Backbone interact. energy: -0.100 local terms energy: -56.108489 where: bonds (distance) C4'-P energy: -12.795 bonds (distance) P-C4' energy: -12.598 flat angles C4'-P-C4' energy: -10.086 flat angles P-C4'-P energy: -7.662 tors. eta vs tors. theta energy: -12.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -143.617630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.617630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.617630 (E_RNA) where: Base-Base interactions energy: -88.244 where: short stacking energy: -42.736 Base-Backbone interact. energy: -0.551 local terms energy: -54.822357 where: bonds (distance) C4'-P energy: -11.785 bonds (distance) P-C4' energy: -15.284 flat angles C4'-P-C4' energy: -12.003 flat angles P-C4'-P energy: -3.840 tors. eta vs tors. theta energy: -11.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -162.286561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.286561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.286561 (E_RNA) where: Base-Base interactions energy: -108.135 where: short stacking energy: -46.775 Base-Backbone interact. energy: 0.807 local terms energy: -54.957947 where: bonds (distance) C4'-P energy: -10.555 bonds (distance) P-C4' energy: -10.263 flat angles C4'-P-C4' energy: -11.770 flat angles P-C4'-P energy: -8.685 tors. eta vs tors. theta energy: -13.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -188.640851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.640851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.640851 (E_RNA) where: Base-Base interactions energy: -138.871 where: short stacking energy: -58.707 Base-Backbone interact. energy: -0.002 local terms energy: -49.768679 where: bonds (distance) C4'-P energy: -6.748 bonds (distance) P-C4' energy: -7.180 flat angles C4'-P-C4' energy: -13.190 flat angles P-C4'-P energy: -7.544 tors. eta vs tors. theta energy: -15.106 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: 6 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -103.048512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.048512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.048512 (E_RNA) where: Base-Base interactions energy: -49.480 where: short stacking energy: -32.546 Base-Backbone interact. energy: -0.000 local terms energy: -53.568067 where: bonds (distance) C4'-P energy: -11.297 bonds (distance) P-C4' energy: -13.768 flat angles C4'-P-C4' energy: -10.459 flat angles P-C4'-P energy: -8.265 tors. eta vs tors. theta energy: -9.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -79.761123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.761123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.761123 (E_RNA) where: Base-Base interactions energy: -35.442 where: short stacking energy: -28.630 Base-Backbone interact. energy: -0.016 local terms energy: -44.302893 where: bonds (distance) C4'-P energy: -11.872 bonds (distance) P-C4' energy: -11.663 flat angles C4'-P-C4' energy: -14.118 flat angles P-C4'-P energy: -2.763 tors. eta vs tors. theta energy: -3.887 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: 3 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -91.557409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.557409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.557409 (E_RNA) where: Base-Base interactions energy: -49.810 where: short stacking energy: -32.947 Base-Backbone interact. energy: -0.112 local terms energy: -41.635238 where: bonds (distance) C4'-P energy: -9.980 bonds (distance) P-C4' energy: -12.042 flat angles C4'-P-C4' energy: -14.139 flat angles P-C4'-P energy: -0.467 tors. eta vs tors. theta energy: -5.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -79.557913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.557913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.557913 (E_RNA) where: Base-Base interactions energy: -40.932 where: short stacking energy: -23.871 Base-Backbone interact. energy: 0.165 local terms energy: -38.790897 where: bonds (distance) C4'-P energy: -10.887 bonds (distance) P-C4' energy: -11.105 flat angles C4'-P-C4' energy: -9.099 flat angles P-C4'-P energy: -3.800 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: 10, replica: 4 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -64.053561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.053561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.053561 (E_RNA) where: Base-Base interactions energy: -23.098 where: short stacking energy: -21.706 Base-Backbone interact. energy: -0.152 local terms energy: -40.803775 where: bonds (distance) C4'-P energy: -11.327 bonds (distance) P-C4' energy: -11.674 flat angles C4'-P-C4' energy: -9.086 flat angles P-C4'-P energy: -5.946 tors. eta vs tors. theta energy: -2.771 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: 2 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -203.852960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.852960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.852960 (E_RNA) where: Base-Base interactions energy: -140.241 where: short stacking energy: -57.936 Base-Backbone interact. energy: -0.004 local terms energy: -63.608234 where: bonds (distance) C4'-P energy: -13.520 bonds (distance) P-C4' energy: -11.187 flat angles C4'-P-C4' energy: -15.165 flat angles P-C4'-P energy: -8.307 tors. eta vs tors. theta energy: -15.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -160.236560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.236560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.236560 (E_RNA) where: Base-Base interactions energy: -94.247 where: short stacking energy: -51.280 Base-Backbone interact. energy: -0.857 local terms energy: -65.132529 where: bonds (distance) C4'-P energy: -12.220 bonds (distance) P-C4' energy: -13.349 flat angles C4'-P-C4' energy: -14.261 flat angles P-C4'-P energy: -9.297 tors. eta vs tors. theta energy: -16.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -151.802807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.802807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.802807 (E_RNA) where: Base-Base interactions energy: -98.196 where: short stacking energy: -49.181 Base-Backbone interact. energy: -0.662 local terms energy: -52.944315 where: bonds (distance) C4'-P energy: -7.276 bonds (distance) P-C4' energy: -14.653 flat angles C4'-P-C4' energy: -9.948 flat angles P-C4'-P energy: -9.453 tors. eta vs tors. theta energy: -11.615 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: 9 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -192.655303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.655303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.655303 (E_RNA) where: Base-Base interactions energy: -133.322 where: short stacking energy: -55.207 Base-Backbone interact. energy: -0.026 local terms energy: -59.306998 where: bonds (distance) C4'-P energy: -13.542 bonds (distance) P-C4' energy: -10.669 flat angles C4'-P-C4' energy: -12.601 flat angles P-C4'-P energy: -5.098 tors. eta vs tors. theta energy: -17.397 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: 5, replica: 5 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -147.459218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.459218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.459218 (E_RNA) where: Base-Base interactions energy: -87.259 where: short stacking energy: -48.894 Base-Backbone interact. energy: -0.047 local terms energy: -60.152969 where: bonds (distance) C4'-P energy: -12.744 bonds (distance) P-C4' energy: -10.513 flat angles C4'-P-C4' energy: -13.168 flat angles P-C4'-P energy: -9.306 tors. eta vs tors. theta energy: -14.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -90.582330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.582330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.582330 (E_RNA) where: Base-Base interactions energy: -45.166 where: short stacking energy: -30.656 Base-Backbone interact. energy: -0.054 local terms energy: -45.362359 where: bonds (distance) C4'-P energy: -10.282 bonds (distance) P-C4' energy: -12.260 flat angles C4'-P-C4' energy: -10.323 flat angles P-C4'-P energy: -5.687 tors. eta vs tors. theta energy: -6.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -73.721165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.721165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.721165 (E_RNA) where: Base-Base interactions energy: -30.306 where: short stacking energy: -24.133 Base-Backbone interact. energy: -0.276 local terms energy: -43.138738 where: bonds (distance) C4'-P energy: -10.952 bonds (distance) P-C4' energy: -13.634 flat angles C4'-P-C4' energy: -10.321 flat angles P-C4'-P energy: -7.978 tors. eta vs tors. theta energy: -0.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -76.322295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.322295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.322295 (E_RNA) where: Base-Base interactions energy: -30.328 where: short stacking energy: -22.055 Base-Backbone interact. energy: -0.019 local terms energy: -45.975440 where: bonds (distance) C4'-P energy: -12.047 bonds (distance) P-C4' energy: -11.056 flat angles C4'-P-C4' energy: -12.842 flat angles P-C4'-P energy: -8.234 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: 9, replica: 3 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -75.565750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.565750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.565750 (E_RNA) where: Base-Base interactions energy: -32.401 where: short stacking energy: -31.101 Base-Backbone interact. energy: -0.425 local terms energy: -42.740536 where: bonds (distance) C4'-P energy: -10.541 bonds (distance) P-C4' energy: -8.232 flat angles C4'-P-C4' energy: -13.042 flat angles P-C4'-P energy: -5.167 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: 4 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -70.936159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.936159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.936159 (E_RNA) where: Base-Base interactions energy: -30.461 where: short stacking energy: -29.738 Base-Backbone interact. energy: 0.052 local terms energy: -40.527385 where: bonds (distance) C4'-P energy: -7.526 bonds (distance) P-C4' energy: -10.636 flat angles C4'-P-C4' energy: -11.732 flat angles P-C4'-P energy: -3.842 tors. eta vs tors. theta energy: -6.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -199.654708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.654708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.654708 (E_RNA) where: Base-Base interactions energy: -139.058 where: short stacking energy: -56.992 Base-Backbone interact. energy: -0.090 local terms energy: -60.506544 where: bonds (distance) C4'-P energy: -11.607 bonds (distance) P-C4' energy: -10.427 flat angles C4'-P-C4' energy: -13.776 flat angles P-C4'-P energy: -8.582 tors. eta vs tors. theta energy: -16.115 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: 8 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -165.192786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.192786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.192786 (E_RNA) where: Base-Base interactions energy: -100.002 where: short stacking energy: -55.717 Base-Backbone interact. energy: -1.573 local terms energy: -63.617412 where: bonds (distance) C4'-P energy: -12.157 bonds (distance) P-C4' energy: -11.806 flat angles C4'-P-C4' energy: -14.140 flat angles P-C4'-P energy: -8.889 tors. eta vs tors. theta energy: -16.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -201.064833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.064833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.064833 (E_RNA) where: Base-Base interactions energy: -138.717 where: short stacking energy: -60.836 Base-Backbone interact. energy: -0.124 local terms energy: -62.224113 where: bonds (distance) C4'-P energy: -12.418 bonds (distance) P-C4' energy: -11.560 flat angles C4'-P-C4' energy: -13.932 flat angles P-C4'-P energy: -9.851 tors. eta vs tors. theta energy: -14.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -138.318358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.318358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.318358 (E_RNA) where: Base-Base interactions energy: -91.747 where: short stacking energy: -47.493 Base-Backbone interact. energy: -0.013 local terms energy: -46.558951 where: bonds (distance) C4'-P energy: -9.148 bonds (distance) P-C4' energy: -8.393 flat angles C4'-P-C4' energy: -10.100 flat angles P-C4'-P energy: -4.595 tors. eta vs tors. theta energy: -14.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -89.651315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.651315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.651315 (E_RNA) where: Base-Base interactions energy: -44.166 where: short stacking energy: -37.463 Base-Backbone interact. energy: -0.287 local terms energy: -45.198525 where: bonds (distance) C4'-P energy: -7.041 bonds (distance) P-C4' energy: -11.969 flat angles C4'-P-C4' energy: -12.747 flat angles P-C4'-P energy: -9.976 tors. eta vs tors. theta energy: -3.466 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: 36 Temperature: 1.150000 Total energy: -130.393441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.393441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.393441 (E_RNA) where: Base-Base interactions energy: -81.674 where: short stacking energy: -35.159 Base-Backbone interact. energy: -0.152 local terms energy: -48.567808 where: bonds (distance) C4'-P energy: -10.018 bonds (distance) P-C4' energy: -11.503 flat angles C4'-P-C4' energy: -11.054 flat angles P-C4'-P energy: -4.805 tors. eta vs tors. theta energy: -11.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -80.363684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.363684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.363684 (E_RNA) where: Base-Base interactions energy: -30.717 where: short stacking energy: -30.717 Base-Backbone interact. energy: -0.003 local terms energy: -49.643631 where: bonds (distance) C4'-P energy: -9.865 bonds (distance) P-C4' energy: -15.140 flat angles C4'-P-C4' energy: -7.164 flat angles P-C4'-P energy: -12.055 tors. eta vs tors. theta energy: -5.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -69.563139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.563139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.563139 (E_RNA) where: Base-Base interactions energy: -21.382 where: short stacking energy: -18.127 Base-Backbone interact. energy: 0.707 local terms energy: -48.888030 where: bonds (distance) C4'-P energy: -12.812 bonds (distance) P-C4' energy: -12.177 flat angles C4'-P-C4' energy: -13.612 flat angles P-C4'-P energy: -11.134 tors. eta vs tors. theta energy: 0.847 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: 4 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -60.353484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.353484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.353484 (E_RNA) where: Base-Base interactions energy: -19.264 where: short stacking energy: -19.264 Base-Backbone interact. energy: -0.178 local terms energy: -40.910961 where: bonds (distance) C4'-P energy: -11.252 bonds (distance) P-C4' energy: -12.395 flat angles C4'-P-C4' energy: -7.910 flat angles P-C4'-P energy: -7.936 tors. eta vs tors. theta energy: -1.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -63.305855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.305855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.305855 (E_RNA) where: Base-Base interactions energy: -19.298 where: short stacking energy: -19.298 Base-Backbone interact. energy: -0.431 local terms energy: -43.576554 where: bonds (distance) C4'-P energy: -10.787 bonds (distance) P-C4' energy: -4.852 flat angles C4'-P-C4' energy: -13.397 flat angles P-C4'-P energy: -10.334 tors. eta vs tors. theta energy: -4.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -203.887479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.887479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.887479 (E_RNA) where: Base-Base interactions energy: -135.778 where: short stacking energy: -57.819 Base-Backbone interact. energy: -0.228 local terms energy: -67.881139 where: bonds (distance) C4'-P energy: -13.532 bonds (distance) P-C4' energy: -14.196 flat angles C4'-P-C4' energy: -12.972 flat angles P-C4'-P energy: -11.370 tors. eta vs tors. theta energy: -15.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -202.670954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.670954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.670954 (E_RNA) where: Base-Base interactions energy: -140.611 where: short stacking energy: -58.333 Base-Backbone interact. energy: 0.594 local terms energy: -62.654817 where: bonds (distance) C4'-P energy: -12.100 bonds (distance) P-C4' energy: -10.898 flat angles C4'-P-C4' energy: -13.544 flat angles P-C4'-P energy: -8.896 tors. eta vs tors. theta energy: -17.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -161.003363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.003363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.003363 (E_RNA) where: Base-Base interactions energy: -103.418 where: short stacking energy: -45.798 Base-Backbone interact. energy: -0.652 local terms energy: -56.933111 where: bonds (distance) C4'-P energy: -9.364 bonds (distance) P-C4' energy: -12.202 flat angles C4'-P-C4' energy: -9.894 flat angles P-C4'-P energy: -8.610 tors. eta vs tors. theta energy: -16.863 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: 1 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -154.534668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.534668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.534668 (E_RNA) where: Base-Base interactions energy: -91.759 where: short stacking energy: -48.525 Base-Backbone interact. energy: -0.111 local terms energy: -62.664103 where: bonds (distance) C4'-P energy: -12.086 bonds (distance) P-C4' energy: -8.440 flat angles C4'-P-C4' energy: -15.635 flat angles P-C4'-P energy: -9.981 tors. eta vs tors. theta energy: -16.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -89.816877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.816877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.816877 (E_RNA) where: Base-Base interactions energy: -43.974 where: short stacking energy: -44.734 Base-Backbone interact. energy: -0.099 local terms energy: -45.744004 where: bonds (distance) C4'-P energy: -11.218 bonds (distance) P-C4' energy: -13.920 flat angles C4'-P-C4' energy: -7.134 flat angles P-C4'-P energy: -2.633 tors. eta vs tors. theta energy: -10.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -83.249835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.249835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.249835 (E_RNA) where: Base-Base interactions energy: -37.948 where: short stacking energy: -37.948 Base-Backbone interact. energy: -0.024 local terms energy: -45.277034 where: bonds (distance) C4'-P energy: -12.451 bonds (distance) P-C4' energy: -10.429 flat angles C4'-P-C4' energy: -6.545 flat angles P-C4'-P energy: -6.859 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: 7, replica: 5 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -115.683857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.683857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.683857 (E_RNA) where: Base-Base interactions energy: -69.353 where: short stacking energy: -27.551 Base-Backbone interact. energy: -0.133 local terms energy: -46.198331 where: bonds (distance) C4'-P energy: -9.955 bonds (distance) P-C4' energy: -11.882 flat angles C4'-P-C4' energy: -10.957 flat angles P-C4'-P energy: -5.097 tors. eta vs tors. theta energy: -8.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -78.418049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.418049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.418049 (E_RNA) where: Base-Base interactions energy: -27.594 where: short stacking energy: -23.971 Base-Backbone interact. energy: -0.122 local terms energy: -50.702064 where: bonds (distance) C4'-P energy: -13.834 bonds (distance) P-C4' energy: -13.404 flat angles C4'-P-C4' energy: -11.830 flat angles P-C4'-P energy: -8.802 tors. eta vs tors. theta energy: -2.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -78.556748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.556748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.556748 (E_RNA) where: Base-Base interactions energy: -37.597 where: short stacking energy: -21.914 Base-Backbone interact. energy: -0.054 local terms energy: -40.905539 where: bonds (distance) C4'-P energy: -12.770 bonds (distance) P-C4' energy: -11.946 flat angles C4'-P-C4' energy: -9.623 flat angles P-C4'-P energy: -7.210 tors. eta vs tors. theta energy: 0.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -72.659296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.659296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.659296 (E_RNA) where: Base-Base interactions energy: -25.710 where: short stacking energy: -22.587 Base-Backbone interact. energy: -0.367 local terms energy: -46.581714 where: bonds (distance) C4'-P energy: -9.935 bonds (distance) P-C4' energy: -13.797 flat angles C4'-P-C4' energy: -11.053 flat angles P-C4'-P energy: -9.512 tors. eta vs tors. theta energy: -2.285 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: 9 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -203.848392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.848392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.848392 (E_RNA) where: Base-Base interactions energy: -139.570 where: short stacking energy: -58.455 Base-Backbone interact. energy: -0.787 local terms energy: -63.491822 where: bonds (distance) C4'-P energy: -12.017 bonds (distance) P-C4' energy: -10.857 flat angles C4'-P-C4' energy: -12.248 flat angles P-C4'-P energy: -12.717 tors. eta vs tors. theta energy: -15.653 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: 2 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -202.463146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.463146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.463146 (E_RNA) where: Base-Base interactions energy: -140.971 where: short stacking energy: -63.891 Base-Backbone interact. energy: -0.013 local terms energy: -61.478744 where: bonds (distance) C4'-P energy: -10.505 bonds (distance) P-C4' energy: -12.239 flat angles C4'-P-C4' energy: -13.110 flat angles P-C4'-P energy: -9.108 tors. eta vs tors. theta energy: -16.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -152.817091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.817091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.817091 (E_RNA) where: Base-Base interactions energy: -98.547 where: short stacking energy: -43.562 Base-Backbone interact. energy: -0.009 local terms energy: -54.261273 where: bonds (distance) C4'-P energy: -10.792 bonds (distance) P-C4' energy: -11.799 flat angles C4'-P-C4' energy: -10.865 flat angles P-C4'-P energy: -9.927 tors. eta vs tors. theta energy: -10.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -152.066360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.066360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.066360 (E_RNA) where: Base-Base interactions energy: -99.630 where: short stacking energy: -34.271 Base-Backbone interact. energy: -0.242 local terms energy: -52.194345 where: bonds (distance) C4'-P energy: -14.547 bonds (distance) P-C4' energy: -12.594 flat angles C4'-P-C4' energy: -9.367 flat angles P-C4'-P energy: -8.638 tors. eta vs tors. theta energy: -7.048 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: 7 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -112.390857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.390857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.390857 (E_RNA) where: Base-Base interactions energy: -56.404 where: short stacking energy: -31.418 Base-Backbone interact. energy: -0.087 local terms energy: -55.899160 where: bonds (distance) C4'-P energy: -11.478 bonds (distance) P-C4' energy: -14.671 flat angles C4'-P-C4' energy: -11.758 flat angles P-C4'-P energy: -9.089 tors. eta vs tors. theta energy: -8.903 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: 10 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -85.468706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.468706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.468706 (E_RNA) where: Base-Base interactions energy: -48.242 where: short stacking energy: -32.578 Base-Backbone interact. energy: -0.420 local terms energy: -36.806198 where: bonds (distance) C4'-P energy: -9.798 bonds (distance) P-C4' energy: -11.261 flat angles C4'-P-C4' energy: -9.131 flat angles P-C4'-P energy: -6.188 tors. eta vs tors. theta energy: -0.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -88.658265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.658265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.658265 (E_RNA) where: Base-Base interactions energy: -36.031 where: short stacking energy: -36.031 Base-Backbone interact. energy: -0.076 local terms energy: -52.551234 where: bonds (distance) C4'-P energy: -10.995 bonds (distance) P-C4' energy: -13.864 flat angles C4'-P-C4' energy: -9.813 flat angles P-C4'-P energy: -8.589 tors. eta vs tors. theta energy: -9.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -67.781015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.781015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.781015 (E_RNA) where: Base-Base interactions energy: -38.258 where: short stacking energy: -30.024 Base-Backbone interact. energy: 1.123 local terms energy: -30.646144 where: bonds (distance) C4'-P energy: -9.367 bonds (distance) P-C4' energy: -11.327 flat angles C4'-P-C4' energy: -5.128 flat angles P-C4'-P energy: -4.854 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: 9, replica: 3 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -66.306507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.306507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.306507 (E_RNA) where: Base-Base interactions energy: -25.663 where: short stacking energy: -25.663 Base-Backbone interact. energy: -0.004 local terms energy: -40.639345 where: bonds (distance) C4'-P energy: -10.982 bonds (distance) P-C4' energy: -11.700 flat angles C4'-P-C4' energy: -5.888 flat angles P-C4'-P energy: -9.450 tors. eta vs tors. theta energy: -2.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -66.035745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.035745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.035745 (E_RNA) where: Base-Base interactions energy: -25.472 where: short stacking energy: -17.501 Base-Backbone interact. energy: -0.014 local terms energy: -40.549635 where: bonds (distance) C4'-P energy: -13.264 bonds (distance) P-C4' energy: -11.821 flat angles C4'-P-C4' energy: -9.563 flat angles P-C4'-P energy: -3.075 tors. eta vs tors. theta energy: -2.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -205.021823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.021823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.021823 (E_RNA) where: Base-Base interactions energy: -139.184 where: short stacking energy: -58.077 Base-Backbone interact. energy: -0.394 local terms energy: -65.444415 where: bonds (distance) C4'-P energy: -13.015 bonds (distance) P-C4' energy: -10.769 flat angles C4'-P-C4' energy: -13.691 flat angles P-C4'-P energy: -11.092 tors. eta vs tors. theta energy: -16.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -200.553215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.553215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.553215 (E_RNA) where: Base-Base interactions energy: -135.578 where: short stacking energy: -57.891 Base-Backbone interact. energy: -0.002 local terms energy: -64.972927 where: bonds (distance) C4'-P energy: -14.973 bonds (distance) P-C4' energy: -13.702 flat angles C4'-P-C4' energy: -12.441 flat angles P-C4'-P energy: -8.596 tors. eta vs tors. theta energy: -15.262 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: 39 Temperature: 1.000000 Total energy: -152.907059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.907059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.907059 (E_RNA) where: Base-Base interactions energy: -91.601 where: short stacking energy: -47.932 Base-Backbone interact. energy: -1.329 local terms energy: -59.976614 where: bonds (distance) C4'-P energy: -12.421 bonds (distance) P-C4' energy: -10.441 flat angles C4'-P-C4' energy: -12.172 flat angles P-C4'-P energy: -7.542 tors. eta vs tors. theta energy: -17.401 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: 8 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -155.056060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.056060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.056060 (E_RNA) where: Base-Base interactions energy: -93.809 where: short stacking energy: -53.997 Base-Backbone interact. energy: -0.893 local terms energy: -60.354055 where: bonds (distance) C4'-P energy: -12.460 bonds (distance) P-C4' energy: -14.058 flat angles C4'-P-C4' energy: -11.833 flat angles P-C4'-P energy: -5.560 tors. eta vs tors. theta energy: -16.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -96.201715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.201715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.201715 (E_RNA) where: Base-Base interactions energy: -53.475 where: short stacking energy: -38.664 Base-Backbone interact. energy: -0.095 local terms energy: -42.631718 where: bonds (distance) C4'-P energy: -12.282 bonds (distance) P-C4' energy: -13.226 flat angles C4'-P-C4' energy: -7.159 flat angles P-C4'-P energy: -4.983 tors. eta vs tors. theta energy: -4.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -79.072153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.072153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.072153 (E_RNA) where: Base-Base interactions energy: -30.322 where: short stacking energy: -30.322 Base-Backbone interact. energy: -0.007 local terms energy: -48.743454 where: bonds (distance) C4'-P energy: -10.638 bonds (distance) P-C4' energy: -13.991 flat angles C4'-P-C4' energy: -11.305 flat angles P-C4'-P energy: -9.437 tors. eta vs tors. theta energy: -3.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -85.182960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.182960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.182960 (E_RNA) where: Base-Base interactions energy: -33.823 where: short stacking energy: -29.569 Base-Backbone interact. energy: -3.680 local terms energy: -47.680028 where: bonds (distance) C4'-P energy: -14.787 bonds (distance) P-C4' energy: -12.852 flat angles C4'-P-C4' energy: -9.452 flat angles P-C4'-P energy: -6.506 tors. eta vs tors. theta energy: -4.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -67.303972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.303972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.303972 (E_RNA) where: Base-Base interactions energy: -21.904 where: short stacking energy: -21.904 Base-Backbone interact. energy: -0.083 local terms energy: -45.317229 where: bonds (distance) C4'-P energy: -12.829 bonds (distance) P-C4' energy: -13.190 flat angles C4'-P-C4' energy: -11.687 flat angles P-C4'-P energy: -8.145 tors. eta vs tors. theta energy: 0.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -70.220517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.220517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.220517 (E_RNA) where: Base-Base interactions energy: -24.163 where: short stacking energy: -24.163 Base-Backbone interact. energy: -0.006 local terms energy: -46.051307 where: bonds (distance) C4'-P energy: -14.537 bonds (distance) P-C4' energy: -12.361 flat angles C4'-P-C4' energy: -12.377 flat angles P-C4'-P energy: -1.482 tors. eta vs tors. theta energy: -5.294 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: 6 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -58.996656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.996656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.996656 (E_RNA) where: Base-Base interactions energy: -13.403 where: short stacking energy: -8.627 Base-Backbone interact. energy: -0.474 local terms energy: -45.119641 where: bonds (distance) C4'-P energy: -11.388 bonds (distance) P-C4' energy: -13.830 flat angles C4'-P-C4' energy: -10.508 flat angles P-C4'-P energy: -6.424 tors. eta vs tors. theta energy: -2.969 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: 2 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -195.340128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.340128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.340128 (E_RNA) where: Base-Base interactions energy: -135.761 where: short stacking energy: -57.320 Base-Backbone interact. energy: -0.039 local terms energy: -59.540917 where: bonds (distance) C4'-P energy: -12.158 bonds (distance) P-C4' energy: -7.537 flat angles C4'-P-C4' energy: -13.836 flat angles P-C4'-P energy: -10.089 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: 2, replica: 9 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -201.548115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.548115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.548115 (E_RNA) where: Base-Base interactions energy: -137.329 where: short stacking energy: -61.296 Base-Backbone interact. energy: -0.123 local terms energy: -64.096037 where: bonds (distance) C4'-P energy: -13.442 bonds (distance) P-C4' energy: -11.880 flat angles C4'-P-C4' energy: -14.014 flat angles P-C4'-P energy: -8.159 tors. eta vs tors. theta energy: -16.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -156.192085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.192085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.192085 (E_RNA) where: Base-Base interactions energy: -100.789 where: short stacking energy: -54.466 Base-Backbone interact. energy: -0.004 local terms energy: -55.399532 where: bonds (distance) C4'-P energy: -12.104 bonds (distance) P-C4' energy: -13.144 flat angles C4'-P-C4' energy: -11.220 flat angles P-C4'-P energy: -6.904 tors. eta vs tors. theta energy: -12.027 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: 1 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -166.103429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.103429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.103429 (E_RNA) where: Base-Base interactions energy: -111.703 where: short stacking energy: -52.448 Base-Backbone interact. energy: -0.011 local terms energy: -54.388535 where: bonds (distance) C4'-P energy: -12.572 bonds (distance) P-C4' energy: -12.485 flat angles C4'-P-C4' energy: -10.750 flat angles P-C4'-P energy: -6.878 tors. eta vs tors. theta energy: -11.703 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: 4 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -95.241117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.241117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.241117 (E_RNA) where: Base-Base interactions energy: -45.134 where: short stacking energy: -28.357 Base-Backbone interact. energy: 0.776 local terms energy: -50.882727 where: bonds (distance) C4'-P energy: -9.724 bonds (distance) P-C4' energy: -12.532 flat angles C4'-P-C4' energy: -12.714 flat angles P-C4'-P energy: -10.894 tors. eta vs tors. theta energy: -5.019 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: 40 Temperature: 1.150000 Total energy: -87.121733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.121733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.121733 (E_RNA) where: Base-Base interactions energy: -34.671 where: short stacking energy: -34.671 Base-Backbone interact. energy: -0.000 local terms energy: -52.451031 where: bonds (distance) C4'-P energy: -11.691 bonds (distance) P-C4' energy: -11.351 flat angles C4'-P-C4' energy: -11.479 flat angles P-C4'-P energy: -9.042 tors. eta vs tors. theta energy: -8.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -71.575718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.575718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.575718 (E_RNA) where: Base-Base interactions energy: -26.244 where: short stacking energy: -26.244 Base-Backbone interact. energy: -0.320 local terms energy: -45.011299 where: bonds (distance) C4'-P energy: -11.271 bonds (distance) P-C4' energy: -13.314 flat angles C4'-P-C4' energy: -9.724 flat angles P-C4'-P energy: -8.519 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: 8, replica: 10 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -69.498221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.498221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.498221 (E_RNA) where: Base-Base interactions energy: -28.171 where: short stacking energy: -28.171 Base-Backbone interact. energy: -0.194 local terms energy: -41.134141 where: bonds (distance) C4'-P energy: -10.949 bonds (distance) P-C4' energy: -10.681 flat angles C4'-P-C4' energy: -7.220 flat angles P-C4'-P energy: -6.210 tors. eta vs tors. theta energy: -6.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -67.716669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.716669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.716669 (E_RNA) where: Base-Base interactions energy: -19.893 where: short stacking energy: -19.893 Base-Backbone interact. energy: -0.525 local terms energy: -47.298447 where: bonds (distance) C4'-P energy: -13.806 bonds (distance) P-C4' energy: -12.264 flat angles C4'-P-C4' energy: -10.353 flat angles P-C4'-P energy: -7.268 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: 10, replica: 6 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -66.369570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.369570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.369570 (E_RNA) where: Base-Base interactions energy: -17.273 where: short stacking energy: -17.373 Base-Backbone interact. energy: -0.036 local terms energy: -49.060144 where: bonds (distance) C4'-P energy: -13.176 bonds (distance) P-C4' energy: -14.618 flat angles C4'-P-C4' energy: -9.299 flat angles P-C4'-P energy: -7.987 tors. eta vs tors. theta energy: -3.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -199.437941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.437941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.437941 (E_RNA) where: Base-Base interactions energy: -135.559 where: short stacking energy: -61.513 Base-Backbone interact. energy: -0.003 local terms energy: -63.875865 where: bonds (distance) C4'-P energy: -14.029 bonds (distance) P-C4' energy: -13.772 flat angles C4'-P-C4' energy: -10.686 flat angles P-C4'-P energy: -9.153 tors. eta vs tors. theta energy: -16.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -201.652113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.652113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.652113 (E_RNA) where: Base-Base interactions energy: -137.315 where: short stacking energy: -53.266 Base-Backbone interact. energy: -0.361 local terms energy: -63.976205 where: bonds (distance) C4'-P energy: -13.640 bonds (distance) P-C4' energy: -10.629 flat angles C4'-P-C4' energy: -13.699 flat angles P-C4'-P energy: -10.150 tors. eta vs tors. theta energy: -15.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -151.350718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.350718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.350718 (E_RNA) where: Base-Base interactions energy: -96.681 where: short stacking energy: -54.217 Base-Backbone interact. energy: -0.006 local terms energy: -54.663826 where: bonds (distance) C4'-P energy: -9.785 bonds (distance) P-C4' energy: -12.288 flat angles C4'-P-C4' energy: -12.857 flat angles P-C4'-P energy: -8.126 tors. eta vs tors. theta energy: -11.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -161.710245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.710245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.710245 (E_RNA) where: Base-Base interactions energy: -100.317 where: short stacking energy: -52.039 Base-Backbone interact. energy: -0.000 local terms energy: -61.392756 where: bonds (distance) C4'-P energy: -12.174 bonds (distance) P-C4' energy: -12.917 flat angles C4'-P-C4' energy: -12.869 flat angles P-C4'-P energy: -9.087 tors. eta vs tors. theta energy: -14.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -79.355398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.355398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.355398 (E_RNA) where: Base-Base interactions energy: -32.376 where: short stacking energy: -25.831 Base-Backbone interact. energy: -0.154 local terms energy: -46.824548 where: bonds (distance) C4'-P energy: -11.008 bonds (distance) P-C4' energy: -13.573 flat angles C4'-P-C4' energy: -12.454 flat angles P-C4'-P energy: -9.699 tors. eta vs tors. theta energy: -0.091 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: 3 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -91.235921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.235921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.235921 (E_RNA) where: Base-Base interactions energy: -48.932 where: short stacking energy: -20.499 Base-Backbone interact. energy: -0.173 local terms energy: -42.131571 where: bonds (distance) C4'-P energy: -13.914 bonds (distance) P-C4' energy: -13.662 flat angles C4'-P-C4' energy: -11.347 flat angles P-C4'-P energy: -3.906 tors. eta vs tors. theta energy: 0.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -76.947415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.947415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.947415 (E_RNA) where: Base-Base interactions energy: -31.903 where: short stacking energy: -31.903 Base-Backbone interact. energy: -0.007 local terms energy: -45.037910 where: bonds (distance) C4'-P energy: -7.451 bonds (distance) P-C4' energy: -10.791 flat angles C4'-P-C4' energy: -11.384 flat angles P-C4'-P energy: -8.204 tors. eta vs tors. theta energy: -7.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -68.771113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.771113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.771113 (E_RNA) where: Base-Base interactions energy: -33.566 where: short stacking energy: -28.510 Base-Backbone interact. energy: -0.084 local terms energy: -35.121115 where: bonds (distance) C4'-P energy: -8.528 bonds (distance) P-C4' energy: -11.570 flat angles C4'-P-C4' energy: -10.457 flat angles P-C4'-P energy: -3.217 tors. eta vs tors. theta energy: -1.349 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: 9, replica: 10 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -72.658236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.658236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.658236 (E_RNA) where: Base-Base interactions energy: -25.585 where: short stacking energy: -25.585 Base-Backbone interact. energy: -0.228 local terms energy: -46.845033 where: bonds (distance) C4'-P energy: -12.191 bonds (distance) P-C4' energy: -13.447 flat angles C4'-P-C4' energy: -12.379 flat angles P-C4'-P energy: -5.038 tors. eta vs tors. theta energy: -3.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -65.144091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.144091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.144091 (E_RNA) where: Base-Base interactions energy: -19.620 where: short stacking energy: -19.620 Base-Backbone interact. energy: -0.248 local terms energy: -45.276308 where: bonds (distance) C4'-P energy: -13.583 bonds (distance) P-C4' energy: -12.365 flat angles C4'-P-C4' energy: -12.940 flat angles P-C4'-P energy: -7.658 tors. eta vs tors. theta energy: 1.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -204.570706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.570706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.570706 (E_RNA) where: Base-Base interactions energy: -137.853 where: short stacking energy: -56.185 Base-Backbone interact. energy: -0.076 local terms energy: -66.641727 where: bonds (distance) C4'-P energy: -10.842 bonds (distance) P-C4' energy: -14.772 flat angles C4'-P-C4' energy: -13.842 flat angles P-C4'-P energy: -9.303 tors. eta vs tors. theta energy: -17.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -200.831723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.831723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.831723 (E_RNA) where: Base-Base interactions energy: -140.420 where: short stacking energy: -53.427 Base-Backbone interact. energy: -0.001 local terms energy: -60.410321 where: bonds (distance) C4'-P energy: -13.736 bonds (distance) P-C4' energy: -10.926 flat angles C4'-P-C4' energy: -13.590 flat angles P-C4'-P energy: -7.342 tors. eta vs tors. theta energy: -14.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -151.508121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.508121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.508121 (E_RNA) where: Base-Base interactions energy: -88.771 where: short stacking energy: -46.213 Base-Backbone interact. energy: -0.003 local terms energy: -62.733692 where: bonds (distance) C4'-P energy: -11.631 bonds (distance) P-C4' energy: -12.088 flat angles C4'-P-C4' energy: -14.426 flat angles P-C4'-P energy: -9.767 tors. eta vs tors. theta energy: -14.820 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: -151.494793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.494793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.494793 (E_RNA) where: Base-Base interactions energy: -98.005 where: short stacking energy: -48.632 Base-Backbone interact. energy: 0.118 local terms energy: -53.607543 where: bonds (distance) C4'-P energy: -12.236 bonds (distance) P-C4' energy: -8.521 flat angles C4'-P-C4' energy: -10.799 flat angles P-C4'-P energy: -9.481 tors. eta vs tors. theta energy: -12.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -95.939512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.939512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.939512 (E_RNA) where: Base-Base interactions energy: -49.051 where: short stacking energy: -36.849 Base-Backbone interact. energy: -0.086 local terms energy: -46.802308 where: bonds (distance) C4'-P energy: -10.362 bonds (distance) P-C4' energy: -12.627 flat angles C4'-P-C4' energy: -10.934 flat angles P-C4'-P energy: -6.220 tors. eta vs tors. theta energy: -6.659 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: 4 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -83.740846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.740846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.740846 (E_RNA) where: Base-Base interactions energy: -43.379 where: short stacking energy: -36.200 Base-Backbone interact. energy: -0.003 local terms energy: -40.359146 where: bonds (distance) C4'-P energy: -8.452 bonds (distance) P-C4' energy: -9.166 flat angles C4'-P-C4' energy: -9.976 flat angles P-C4'-P energy: -4.661 tors. eta vs tors. theta energy: -8.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -78.937832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.937832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.937832 (E_RNA) where: Base-Base interactions energy: -31.683 where: short stacking energy: -31.683 Base-Backbone interact. energy: 0.571 local terms energy: -47.826115 where: bonds (distance) C4'-P energy: -12.848 bonds (distance) P-C4' energy: -12.690 flat angles C4'-P-C4' energy: -12.362 flat angles P-C4'-P energy: -5.861 tors. eta vs tors. theta energy: -4.065 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: 5 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -64.012257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.012257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.012257 (E_RNA) where: Base-Base interactions energy: -30.176 where: short stacking energy: -28.321 Base-Backbone interact. energy: -0.194 local terms energy: -33.642931 where: bonds (distance) C4'-P energy: -10.406 bonds (distance) P-C4' energy: -8.606 flat angles C4'-P-C4' energy: -10.611 flat angles P-C4'-P energy: -1.707 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: 9, replica: 6 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -70.733215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.733215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.733215 (E_RNA) where: Base-Base interactions energy: -28.799 where: short stacking energy: -28.799 Base-Backbone interact. energy: -0.024 local terms energy: -41.910464 where: bonds (distance) C4'-P energy: -11.814 bonds (distance) P-C4' energy: -10.868 flat angles C4'-P-C4' energy: -9.069 flat angles P-C4'-P energy: -7.234 tors. eta vs tors. theta energy: -2.925 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: 42 Temperature: 1.350000 Total energy: -67.163500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.163500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.163500 (E_RNA) where: Base-Base interactions energy: -29.715 where: short stacking energy: -28.115 Base-Backbone interact. energy: -0.220 local terms energy: -37.228496 where: bonds (distance) C4'-P energy: -11.649 bonds (distance) P-C4' energy: -12.466 flat angles C4'-P-C4' energy: -7.629 flat angles P-C4'-P energy: -1.373 tors. eta vs tors. theta energy: -4.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -203.555827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.555827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.555827 (E_RNA) where: Base-Base interactions energy: -141.942 where: short stacking energy: -55.037 Base-Backbone interact. energy: -0.842 local terms energy: -60.771991 where: bonds (distance) C4'-P energy: -12.817 bonds (distance) P-C4' energy: -13.018 flat angles C4'-P-C4' energy: -12.198 flat angles P-C4'-P energy: -6.005 tors. eta vs tors. theta energy: -16.733 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: 2 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -203.339437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.339437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.339437 (E_RNA) where: Base-Base interactions energy: -143.152 where: short stacking energy: -59.939 Base-Backbone interact. energy: -0.001 local terms energy: -60.187013 where: bonds (distance) C4'-P energy: -12.592 bonds (distance) P-C4' energy: -13.110 flat angles C4'-P-C4' energy: -12.546 flat angles P-C4'-P energy: -8.446 tors. eta vs tors. theta energy: -13.493 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: 3, replica: 1 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -148.805823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.805823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.805823 (E_RNA) where: Base-Base interactions energy: -96.830 where: short stacking energy: -40.546 Base-Backbone interact. energy: -0.204 local terms energy: -51.772495 where: bonds (distance) C4'-P energy: -12.163 bonds (distance) P-C4' energy: -11.359 flat angles C4'-P-C4' energy: -11.798 flat angles P-C4'-P energy: -7.157 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: 4, replica: 8 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -146.710783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.710783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.710783 (E_RNA) where: Base-Base interactions energy: -98.779 where: short stacking energy: -49.145 Base-Backbone interact. energy: -0.370 local terms energy: -47.561325 where: bonds (distance) C4'-P energy: -13.121 bonds (distance) P-C4' energy: -7.314 flat angles C4'-P-C4' energy: -8.636 flat angles P-C4'-P energy: -5.528 tors. eta vs tors. theta energy: -12.962 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: 5, replica: 3 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -81.703739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.703739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.703739 (E_RNA) where: Base-Base interactions energy: -35.287 where: short stacking energy: -27.938 Base-Backbone interact. energy: -0.034 local terms energy: -46.382758 where: bonds (distance) C4'-P energy: -9.724 bonds (distance) P-C4' energy: -11.426 flat angles C4'-P-C4' energy: -10.942 flat angles P-C4'-P energy: -8.536 tors. eta vs tors. theta energy: -5.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -83.528236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.528236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.528236 (E_RNA) where: Base-Base interactions energy: -30.369 where: short stacking energy: -28.769 Base-Backbone interact. energy: -0.001 local terms energy: -53.158224 where: bonds (distance) C4'-P energy: -12.290 bonds (distance) P-C4' energy: -13.321 flat angles C4'-P-C4' energy: -12.977 flat angles P-C4'-P energy: -6.997 tors. eta vs tors. theta energy: -7.572 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: 4 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -76.958224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.958224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.958224 (E_RNA) where: Base-Base interactions energy: -34.406 where: short stacking energy: -16.456 Base-Backbone interact. energy: 1.046 local terms energy: -43.598735 where: bonds (distance) C4'-P energy: -13.334 bonds (distance) P-C4' energy: -12.437 flat angles C4'-P-C4' energy: -9.761 flat angles P-C4'-P energy: -7.294 tors. eta vs tors. theta energy: -0.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -75.179743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.179743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.179743 (E_RNA) where: Base-Base interactions energy: -27.055 where: short stacking energy: -22.812 Base-Backbone interact. energy: -0.157 local terms energy: -47.967688 where: bonds (distance) C4'-P energy: -13.028 bonds (distance) P-C4' energy: -14.618 flat angles C4'-P-C4' energy: -9.236 flat angles P-C4'-P energy: -5.848 tors. eta vs tors. theta energy: -5.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -71.898704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.898704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.898704 (E_RNA) where: Base-Base interactions energy: -25.785 where: short stacking energy: -18.465 Base-Backbone interact. energy: -0.037 local terms energy: -46.077517 where: bonds (distance) C4'-P energy: -11.967 bonds (distance) P-C4' energy: -11.331 flat angles C4'-P-C4' energy: -10.416 flat angles P-C4'-P energy: -9.504 tors. eta vs tors. theta energy: -2.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -68.404433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.404433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.404433 (E_RNA) where: Base-Base interactions energy: -24.458 where: short stacking energy: -24.458 Base-Backbone interact. energy: -0.149 local terms energy: -43.797609 where: bonds (distance) C4'-P energy: -9.736 bonds (distance) P-C4' energy: -11.563 flat angles C4'-P-C4' energy: -10.205 flat angles P-C4'-P energy: -5.691 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: 2 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -208.068401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.068401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.068401 (E_RNA) where: Base-Base interactions energy: -144.359 where: short stacking energy: -60.872 Base-Backbone interact. energy: -0.000 local terms energy: -63.708945 where: bonds (distance) C4'-P energy: -12.116 bonds (distance) P-C4' energy: -12.430 flat angles C4'-P-C4' energy: -14.531 flat angles P-C4'-P energy: -7.611 tors. eta vs tors. theta energy: -17.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -200.802864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.802864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.802864 (E_RNA) where: Base-Base interactions energy: -136.895 where: short stacking energy: -57.807 Base-Backbone interact. energy: -0.001 local terms energy: -63.907242 where: bonds (distance) C4'-P energy: -10.759 bonds (distance) P-C4' energy: -12.898 flat angles C4'-P-C4' energy: -15.036 flat angles P-C4'-P energy: -8.035 tors. eta vs tors. theta energy: -17.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -149.800500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.800500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.800500 (E_RNA) where: Base-Base interactions energy: -94.514 where: short stacking energy: -49.407 Base-Backbone interact. energy: -0.105 local terms energy: -55.181281 where: bonds (distance) C4'-P energy: -12.083 bonds (distance) P-C4' energy: -9.316 flat angles C4'-P-C4' energy: -9.140 flat angles P-C4'-P energy: -11.799 tors. eta vs tors. theta energy: -12.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -152.833168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.833168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.833168 (E_RNA) where: Base-Base interactions energy: -92.699 where: short stacking energy: -52.849 Base-Backbone interact. energy: -0.540 local terms energy: -59.594126 where: bonds (distance) C4'-P energy: -8.055 bonds (distance) P-C4' energy: -15.340 flat angles C4'-P-C4' energy: -15.078 flat angles P-C4'-P energy: -7.888 tors. eta vs tors. theta energy: -13.233 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: 7 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -81.460422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.460422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.460422 (E_RNA) where: Base-Base interactions energy: -39.916 where: short stacking energy: -25.272 Base-Backbone interact. energy: -0.123 local terms energy: -41.421363 where: bonds (distance) C4'-P energy: -10.031 bonds (distance) P-C4' energy: -12.831 flat angles C4'-P-C4' energy: -7.532 flat angles P-C4'-P energy: -9.211 tors. eta vs tors. theta energy: -1.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -80.566364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.566364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.566364 (E_RNA) where: Base-Base interactions energy: -36.791 where: short stacking energy: -27.344 Base-Backbone interact. energy: -0.048 local terms energy: -43.727748 where: bonds (distance) C4'-P energy: -12.050 bonds (distance) P-C4' energy: -14.671 flat angles C4'-P-C4' energy: -7.719 flat angles P-C4'-P energy: -6.851 tors. eta vs tors. theta energy: -2.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -72.743733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.743733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.743733 (E_RNA) where: Base-Base interactions energy: -28.329 where: short stacking energy: -25.920 Base-Backbone interact. energy: 0.065 local terms energy: -44.479511 where: bonds (distance) C4'-P energy: -12.349 bonds (distance) P-C4' energy: -11.297 flat angles C4'-P-C4' energy: -11.373 flat angles P-C4'-P energy: -8.146 tors. eta vs tors. theta energy: -1.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -68.510962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.510962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.510962 (E_RNA) where: Base-Base interactions energy: -24.006 where: short stacking energy: -18.514 Base-Backbone interact. energy: -0.106 local terms energy: -44.398855 where: bonds (distance) C4'-P energy: -8.940 bonds (distance) P-C4' energy: -13.339 flat angles C4'-P-C4' energy: -10.794 flat angles P-C4'-P energy: -8.607 tors. eta vs tors. theta energy: -2.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -61.674781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.674781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.674781 (E_RNA) where: Base-Base interactions energy: -23.200 where: short stacking energy: -22.695 Base-Backbone interact. energy: -0.069 local terms energy: -38.406445 where: bonds (distance) C4'-P energy: -10.812 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -11.633 flat angles P-C4'-P energy: -5.435 tors. eta vs tors. theta energy: -2.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -76.438337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.438337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.438337 (E_RNA) where: Base-Base interactions energy: -42.143 where: short stacking energy: -29.298 Base-Backbone interact. energy: -0.315 local terms energy: -33.979735 where: bonds (distance) C4'-P energy: -4.726 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -8.938 flat angles P-C4'-P energy: -7.839 tors. eta vs tors. theta energy: -4.282 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: 2 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -205.433250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.433250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.433250 (E_RNA) where: Base-Base interactions energy: -144.885 where: short stacking energy: -62.584 Base-Backbone interact. energy: -0.001 local terms energy: -60.546612 where: bonds (distance) C4'-P energy: -14.571 bonds (distance) P-C4' energy: -11.911 flat angles C4'-P-C4' energy: -13.823 flat angles P-C4'-P energy: -4.741 tors. eta vs tors. theta energy: -15.501 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: 9 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -206.320051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.320051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.320051 (E_RNA) where: Base-Base interactions energy: -141.186 where: short stacking energy: -61.544 Base-Backbone interact. energy: -0.282 local terms energy: -64.852227 where: bonds (distance) C4'-P energy: -10.965 bonds (distance) P-C4' energy: -12.271 flat angles C4'-P-C4' energy: -12.883 flat angles P-C4'-P energy: -11.377 tors. eta vs tors. theta energy: -17.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -153.491424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.491424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.491424 (E_RNA) where: Base-Base interactions energy: -96.531 where: short stacking energy: -44.847 Base-Backbone interact. energy: -0.946 local terms energy: -56.014696 where: bonds (distance) C4'-P energy: -9.397 bonds (distance) P-C4' energy: -14.278 flat angles C4'-P-C4' energy: -12.686 flat angles P-C4'-P energy: -8.838 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: 4, replica: 1 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -156.870122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.870122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.870122 (E_RNA) where: Base-Base interactions energy: -92.876 where: short stacking energy: -54.134 Base-Backbone interact. energy: -0.079 local terms energy: -63.915005 where: bonds (distance) C4'-P energy: -11.774 bonds (distance) P-C4' energy: -15.330 flat angles C4'-P-C4' energy: -11.840 flat angles P-C4'-P energy: -7.385 tors. eta vs tors. theta energy: -17.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -81.283810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.283810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.283810 (E_RNA) where: Base-Base interactions energy: -27.037 where: short stacking energy: -25.653 Base-Backbone interact. energy: -0.017 local terms energy: -54.229520 where: bonds (distance) C4'-P energy: -11.151 bonds (distance) P-C4' energy: -13.534 flat angles C4'-P-C4' energy: -12.761 flat angles P-C4'-P energy: -11.003 tors. eta vs tors. theta energy: -5.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -80.812888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.812888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.812888 (E_RNA) where: Base-Base interactions energy: -32.101 where: short stacking energy: -32.101 Base-Backbone interact. energy: -0.175 local terms energy: -48.536290 where: bonds (distance) C4'-P energy: -10.079 bonds (distance) P-C4' energy: -8.997 flat angles C4'-P-C4' energy: -13.411 flat angles P-C4'-P energy: -7.249 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: 7, replica: 6 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -77.422827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.422827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.422827 (E_RNA) where: Base-Base interactions energy: -28.916 where: short stacking energy: -24.654 Base-Backbone interact. energy: -0.099 local terms energy: -48.407360 where: bonds (distance) C4'-P energy: -11.727 bonds (distance) P-C4' energy: -13.586 flat angles C4'-P-C4' energy: -10.945 flat angles P-C4'-P energy: -7.494 tors. eta vs tors. theta energy: -4.655 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: 10 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -79.674086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.674086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.674086 (E_RNA) where: Base-Base interactions energy: -35.859 where: short stacking energy: -18.541 Base-Backbone interact. energy: -0.561 local terms energy: -43.253262 where: bonds (distance) C4'-P energy: -13.284 bonds (distance) P-C4' energy: -14.026 flat angles C4'-P-C4' energy: -9.929 flat angles P-C4'-P energy: -5.695 tors. eta vs tors. theta energy: -0.320 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: 45 Temperature: 1.300000 Total energy: -72.042062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.042062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.042062 (E_RNA) where: Base-Base interactions energy: -28.321 where: short stacking energy: -19.891 Base-Backbone interact. energy: -0.212 local terms energy: -43.508697 where: bonds (distance) C4'-P energy: -9.496 bonds (distance) P-C4' energy: -13.591 flat angles C4'-P-C4' energy: -12.283 flat angles P-C4'-P energy: -5.223 tors. eta vs tors. theta energy: -2.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -66.252564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.252564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.252564 (E_RNA) where: Base-Base interactions energy: -28.306 where: short stacking energy: -19.309 Base-Backbone interact. energy: -0.298 local terms energy: -37.648688 where: bonds (distance) C4'-P energy: -9.741 bonds (distance) P-C4' energy: -8.613 flat angles C4'-P-C4' energy: -10.704 flat angles P-C4'-P energy: -6.715 tors. eta vs tors. theta energy: -1.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -207.395380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.395380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.395380 (E_RNA) where: Base-Base interactions energy: -144.736 where: short stacking energy: -62.275 Base-Backbone interact. energy: -0.000 local terms energy: -62.659136 where: bonds (distance) C4'-P energy: -12.845 bonds (distance) P-C4' energy: -10.707 flat angles C4'-P-C4' energy: -10.519 flat angles P-C4'-P energy: -9.890 tors. eta vs tors. theta energy: -18.697 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: 2 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -201.924655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.924655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.924655 (E_RNA) where: Base-Base interactions energy: -140.722 where: short stacking energy: -58.717 Base-Backbone interact. energy: -0.000 local terms energy: -61.202056 where: bonds (distance) C4'-P energy: -14.712 bonds (distance) P-C4' energy: -12.753 flat angles C4'-P-C4' energy: -11.971 flat angles P-C4'-P energy: -5.294 tors. eta vs tors. theta energy: -16.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -153.160027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.160027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.160027 (E_RNA) where: Base-Base interactions energy: -94.114 where: short stacking energy: -51.214 Base-Backbone interact. energy: -0.244 local terms energy: -58.802023 where: bonds (distance) C4'-P energy: -9.741 bonds (distance) P-C4' energy: -13.489 flat angles C4'-P-C4' energy: -12.157 flat angles P-C4'-P energy: -9.184 tors. eta vs tors. theta energy: -14.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -141.443290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.443290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.443290 (E_RNA) where: Base-Base interactions energy: -81.454 where: short stacking energy: -34.717 Base-Backbone interact. energy: -0.396 local terms energy: -59.593601 where: bonds (distance) C4'-P energy: -12.083 bonds (distance) P-C4' energy: -13.548 flat angles C4'-P-C4' energy: -12.343 flat angles P-C4'-P energy: -8.407 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: 5, replica: 7 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -85.563432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.563432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.563432 (E_RNA) where: Base-Base interactions energy: -27.043 where: short stacking energy: -25.879 Base-Backbone interact. energy: -0.003 local terms energy: -58.517616 where: bonds (distance) C4'-P energy: -10.238 bonds (distance) P-C4' energy: -12.253 flat angles C4'-P-C4' energy: -15.653 flat angles P-C4'-P energy: -9.942 tors. eta vs tors. theta energy: -10.432 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: 6, replica: 3 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -84.083850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.083850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.083850 (E_RNA) where: Base-Base interactions energy: -35.337 where: short stacking energy: -35.337 Base-Backbone interact. energy: -0.088 local terms energy: -48.658281 where: bonds (distance) C4'-P energy: -12.208 bonds (distance) P-C4' energy: -9.572 flat angles C4'-P-C4' energy: -11.835 flat angles P-C4'-P energy: -7.724 tors. eta vs tors. theta energy: -7.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -81.886302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.886302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.886302 (E_RNA) where: Base-Base interactions energy: -39.226 where: short stacking energy: -23.288 Base-Backbone interact. energy: 0.099 local terms energy: -42.758777 where: bonds (distance) C4'-P energy: -6.291 bonds (distance) P-C4' energy: -12.299 flat angles C4'-P-C4' energy: -11.376 flat angles P-C4'-P energy: -6.232 tors. eta vs tors. theta energy: -6.560 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: 6 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -81.881468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.881468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.881468 (E_RNA) where: Base-Base interactions energy: -45.134 where: short stacking energy: -32.547 Base-Backbone interact. energy: 1.093 local terms energy: -37.840660 where: bonds (distance) C4'-P energy: -4.462 bonds (distance) P-C4' energy: -11.282 flat angles C4'-P-C4' energy: -11.301 flat angles P-C4'-P energy: -4.700 tors. eta vs tors. theta energy: -6.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -69.262052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.262052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.262052 (E_RNA) where: Base-Base interactions energy: -26.033 where: short stacking energy: -20.695 Base-Backbone interact. energy: -0.185 local terms energy: -43.043980 where: bonds (distance) C4'-P energy: -10.476 bonds (distance) P-C4' energy: -14.184 flat angles C4'-P-C4' energy: -6.932 flat angles P-C4'-P energy: -10.247 tors. eta vs tors. theta energy: -1.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -66.971067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.971067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.971067 (E_RNA) where: Base-Base interactions energy: -22.282 where: short stacking energy: -17.529 Base-Backbone interact. energy: -0.116 local terms energy: -44.572866 where: bonds (distance) C4'-P energy: -12.687 bonds (distance) P-C4' energy: -11.790 flat angles C4'-P-C4' energy: -12.155 flat angles P-C4'-P energy: -6.379 tors. eta vs tors. theta energy: -1.561 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: 47 Temperature: 0.900000 Total energy: -206.028013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.028013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.028013 (E_RNA) where: Base-Base interactions energy: -140.962 where: short stacking energy: -60.265 Base-Backbone interact. energy: -0.000 local terms energy: -65.065282 where: bonds (distance) C4'-P energy: -14.030 bonds (distance) P-C4' energy: -15.598 flat angles C4'-P-C4' energy: -12.523 flat angles P-C4'-P energy: -7.201 tors. eta vs tors. theta energy: -15.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -198.872099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.872099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.872099 (E_RNA) where: Base-Base interactions energy: -140.722 where: short stacking energy: -57.243 Base-Backbone interact. energy: -0.004 local terms energy: -58.145356 where: bonds (distance) C4'-P energy: -9.236 bonds (distance) P-C4' energy: -11.853 flat angles C4'-P-C4' energy: -10.978 flat angles P-C4'-P energy: -10.612 tors. eta vs tors. theta energy: -15.467 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: 1 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -155.695881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.695881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.695881 (E_RNA) where: Base-Base interactions energy: -97.620 where: short stacking energy: -47.237 Base-Backbone interact. energy: -1.240 local terms energy: -56.836022 where: bonds (distance) C4'-P energy: -10.803 bonds (distance) P-C4' energy: -13.254 flat angles C4'-P-C4' energy: -11.631 flat angles P-C4'-P energy: -6.195 tors. eta vs tors. theta energy: -14.952 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: 4, replica: 8 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -149.923534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.923534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.923534 (E_RNA) where: Base-Base interactions energy: -86.317 where: short stacking energy: -42.955 Base-Backbone interact. energy: -0.076 local terms energy: -63.530300 where: bonds (distance) C4'-P energy: -11.711 bonds (distance) P-C4' energy: -13.859 flat angles C4'-P-C4' energy: -13.622 flat angles P-C4'-P energy: -9.160 tors. eta vs tors. theta energy: -15.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -87.534883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.534883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.534883 (E_RNA) where: Base-Base interactions energy: -42.073 where: short stacking energy: -32.439 Base-Backbone interact. energy: -0.070 local terms energy: -45.391819 where: bonds (distance) C4'-P energy: -7.252 bonds (distance) P-C4' energy: -14.839 flat angles C4'-P-C4' energy: -14.187 flat angles P-C4'-P energy: -4.073 tors. eta vs tors. theta energy: -5.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -83.722885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.722885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.722885 (E_RNA) where: Base-Base interactions energy: -35.487 where: short stacking energy: -35.487 Base-Backbone interact. energy: 0.179 local terms energy: -48.414845 where: bonds (distance) C4'-P energy: -10.469 bonds (distance) P-C4' energy: -11.691 flat angles C4'-P-C4' energy: -12.020 flat angles P-C4'-P energy: -10.307 tors. eta vs tors. theta energy: -3.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -75.905169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.905169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.905169 (E_RNA) where: Base-Base interactions energy: -31.343 where: short stacking energy: -31.343 Base-Backbone interact. energy: -0.117 local terms energy: -44.445859 where: bonds (distance) C4'-P energy: -8.905 bonds (distance) P-C4' energy: -13.525 flat angles C4'-P-C4' energy: -11.665 flat angles P-C4'-P energy: -4.173 tors. eta vs tors. theta energy: -6.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -73.969037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.969037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.969037 (E_RNA) where: Base-Base interactions energy: -37.963 where: short stacking energy: -24.431 Base-Backbone interact. energy: -0.247 local terms energy: -35.758783 where: bonds (distance) C4'-P energy: -12.047 bonds (distance) P-C4' energy: -10.780 flat angles C4'-P-C4' energy: -8.091 flat angles P-C4'-P energy: -7.401 tors. eta vs tors. theta energy: 2.561 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: 6 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -81.783335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.783335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.783335 (E_RNA) where: Base-Base interactions energy: -34.814 where: short stacking energy: -21.364 Base-Backbone interact. energy: -0.781 local terms energy: -46.188021 where: bonds (distance) C4'-P energy: -11.284 bonds (distance) P-C4' energy: -13.511 flat angles C4'-P-C4' energy: -9.675 flat angles P-C4'-P energy: -7.850 tors. eta vs tors. theta energy: -3.869 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: 4 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -64.002074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.002074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.002074 (E_RNA) where: Base-Base interactions energy: -23.022 where: short stacking energy: -22.571 Base-Backbone interact. energy: -0.009 local terms energy: -40.970640 where: bonds (distance) C4'-P energy: -5.020 bonds (distance) P-C4' energy: -14.445 flat angles C4'-P-C4' energy: -11.414 flat angles P-C4'-P energy: -5.587 tors. eta vs tors. theta energy: -4.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -201.545408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.545408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.545408 (E_RNA) where: Base-Base interactions energy: -137.372 where: short stacking energy: -57.109 Base-Backbone interact. energy: -0.004 local terms energy: -64.170225 where: bonds (distance) C4'-P energy: -13.238 bonds (distance) P-C4' energy: -14.097 flat angles C4'-P-C4' energy: -12.699 flat angles P-C4'-P energy: -8.254 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: 2, replica: 9 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -203.811746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.811746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.811746 (E_RNA) where: Base-Base interactions energy: -144.525 where: short stacking energy: -63.871 Base-Backbone interact. energy: -0.015 local terms energy: -59.271589 where: bonds (distance) C4'-P energy: -11.540 bonds (distance) P-C4' energy: -11.150 flat angles C4'-P-C4' energy: -13.652 flat angles P-C4'-P energy: -7.866 tors. eta vs tors. theta energy: -15.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -155.509418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.509418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.509418 (E_RNA) where: Base-Base interactions energy: -100.067 where: short stacking energy: -53.466 Base-Backbone interact. energy: -0.078 local terms energy: -55.364242 where: bonds (distance) C4'-P energy: -11.321 bonds (distance) P-C4' energy: -11.355 flat angles C4'-P-C4' energy: -12.284 flat angles P-C4'-P energy: -6.615 tors. eta vs tors. theta energy: -13.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -149.937505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.937505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.937505 (E_RNA) where: Base-Base interactions energy: -93.059 where: short stacking energy: -40.505 Base-Backbone interact. energy: 0.915 local terms energy: -57.792840 where: bonds (distance) C4'-P energy: -13.197 bonds (distance) P-C4' energy: -14.392 flat angles C4'-P-C4' energy: -12.495 flat angles P-C4'-P energy: -8.449 tors. eta vs tors. theta energy: -9.259 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: 7 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -89.885800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.885800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.885800 (E_RNA) where: Base-Base interactions energy: -42.308 where: short stacking energy: -37.711 Base-Backbone interact. energy: -0.114 local terms energy: -47.464016 where: bonds (distance) C4'-P energy: -7.720 bonds (distance) P-C4' energy: -14.166 flat angles C4'-P-C4' energy: -11.071 flat angles P-C4'-P energy: -7.246 tors. eta vs tors. theta energy: -7.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -71.811830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.811830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.811830 (E_RNA) where: Base-Base interactions energy: -24.292 where: short stacking energy: -25.873 Base-Backbone interact. energy: -0.120 local terms energy: -47.400028 where: bonds (distance) C4'-P energy: -14.092 bonds (distance) P-C4' energy: -12.113 flat angles C4'-P-C4' energy: -11.065 flat angles P-C4'-P energy: -6.869 tors. eta vs tors. theta energy: -3.262 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: 48 Temperature: 1.200000 Total energy: -94.297017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.297017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.297017 (E_RNA) where: Base-Base interactions energy: -59.482 where: short stacking energy: -32.384 Base-Backbone interact. energy: 3.342 local terms energy: -38.156944 where: bonds (distance) C4'-P energy: -6.714 bonds (distance) P-C4' energy: -13.519 flat angles C4'-P-C4' energy: -11.951 flat angles P-C4'-P energy: -1.513 tors. eta vs tors. theta energy: -4.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -70.864110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.864110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.864110 (E_RNA) where: Base-Base interactions energy: -26.303 where: short stacking energy: -26.303 Base-Backbone interact. energy: 0.617 local terms energy: -45.178367 where: bonds (distance) C4'-P energy: -11.755 bonds (distance) P-C4' energy: -10.017 flat angles C4'-P-C4' energy: -10.381 flat angles P-C4'-P energy: -5.952 tors. eta vs tors. theta energy: -7.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -71.997428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.997428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.997428 (E_RNA) where: Base-Base interactions energy: -27.593 where: short stacking energy: -27.593 Base-Backbone interact. energy: -0.135 local terms energy: -44.269307 where: bonds (distance) C4'-P energy: -9.326 bonds (distance) P-C4' energy: -14.075 flat angles C4'-P-C4' energy: -9.877 flat angles P-C4'-P energy: -4.085 tors. eta vs tors. theta energy: -6.906 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: 6 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -72.504698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.504698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.504698 (E_RNA) where: Base-Base interactions energy: -27.037 where: short stacking energy: -27.037 Base-Backbone interact. energy: -0.333 local terms energy: -45.133851 where: bonds (distance) C4'-P energy: -8.572 bonds (distance) P-C4' energy: -8.201 flat angles C4'-P-C4' energy: -14.747 flat angles P-C4'-P energy: -9.270 tors. eta vs tors. theta energy: -4.344 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: 1, replica: 2 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -197.098146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.098146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.098146 (E_RNA) where: Base-Base interactions energy: -131.739 where: short stacking energy: -57.530 Base-Backbone interact. energy: -0.030 local terms energy: -65.329401 where: bonds (distance) C4'-P energy: -14.005 bonds (distance) P-C4' energy: -14.671 flat angles C4'-P-C4' energy: -12.789 flat angles P-C4'-P energy: -9.989 tors. eta vs tors. theta energy: -13.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -201.165608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.165608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.165608 (E_RNA) where: Base-Base interactions energy: -135.090 where: short stacking energy: -57.226 Base-Backbone interact. energy: -0.057 local terms energy: -66.018610 where: bonds (distance) C4'-P energy: -9.649 bonds (distance) P-C4' energy: -13.793 flat angles C4'-P-C4' energy: -14.678 flat angles P-C4'-P energy: -10.653 tors. eta vs tors. theta energy: -17.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -154.429645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.429645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.429645 (E_RNA) where: Base-Base interactions energy: -92.917 where: short stacking energy: -52.824 Base-Backbone interact. energy: -2.556 local terms energy: -58.956619 where: bonds (distance) C4'-P energy: -12.003 bonds (distance) P-C4' energy: -11.816 flat angles C4'-P-C4' energy: -13.523 flat angles P-C4'-P energy: -8.104 tors. eta vs tors. theta energy: -13.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -148.378274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.378274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.378274 (E_RNA) where: Base-Base interactions energy: -92.845 where: short stacking energy: -41.544 Base-Backbone interact. energy: -0.639 local terms energy: -54.894486 where: bonds (distance) C4'-P energy: -11.794 bonds (distance) P-C4' energy: -12.849 flat angles C4'-P-C4' energy: -9.586 flat angles P-C4'-P energy: -8.975 tors. eta vs tors. theta energy: -11.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -83.290251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.290251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.290251 (E_RNA) where: Base-Base interactions energy: -39.560 where: short stacking energy: -35.266 Base-Backbone interact. energy: -0.038 local terms energy: -43.693016 where: bonds (distance) C4'-P energy: -10.228 bonds (distance) P-C4' energy: -10.607 flat angles C4'-P-C4' energy: -9.324 flat angles P-C4'-P energy: -7.227 tors. eta vs tors. theta energy: -6.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -82.566023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.566023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.566023 (E_RNA) where: Base-Base interactions energy: -39.874 where: short stacking energy: -33.590 Base-Backbone interact. energy: -0.108 local terms energy: -42.584120 where: bonds (distance) C4'-P energy: -10.755 bonds (distance) P-C4' energy: -11.340 flat angles C4'-P-C4' energy: -8.305 flat angles P-C4'-P energy: -4.946 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: 7, replica: 10 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -81.330533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.330533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.330533 (E_RNA) where: Base-Base interactions energy: -37.250 where: short stacking energy: -26.488 Base-Backbone interact. energy: -0.003 local terms energy: -44.077416 where: bonds (distance) C4'-P energy: -6.387 bonds (distance) P-C4' energy: -13.963 flat angles C4'-P-C4' energy: -10.450 flat angles P-C4'-P energy: -10.413 tors. eta vs tors. theta energy: -2.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -74.025742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.025742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.025742 (E_RNA) where: Base-Base interactions energy: -31.006 where: short stacking energy: -26.815 Base-Backbone interact. energy: -0.216 local terms energy: -42.803050 where: bonds (distance) C4'-P energy: -6.408 bonds (distance) P-C4' energy: -13.959 flat angles C4'-P-C4' energy: -12.676 flat angles P-C4'-P energy: -7.858 tors. eta vs tors. theta energy: -1.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -63.595556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.595556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.595556 (E_RNA) where: Base-Base interactions energy: -20.141 where: short stacking energy: -20.141 Base-Backbone interact. energy: -0.283 local terms energy: -43.171398 where: bonds (distance) C4'-P energy: -8.365 bonds (distance) P-C4' energy: -11.778 flat angles C4'-P-C4' energy: -12.353 flat angles P-C4'-P energy: -7.030 tors. eta vs tors. theta energy: -3.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -61.383717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.383717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.383717 (E_RNA) where: Base-Base interactions energy: -23.213 where: short stacking energy: -19.146 Base-Backbone interact. energy: -0.008 local terms energy: -38.162373 where: bonds (distance) C4'-P energy: -8.675 bonds (distance) P-C4' energy: -9.853 flat angles C4'-P-C4' energy: -10.393 flat angles P-C4'-P energy: -7.110 tors. eta vs tors. theta energy: -2.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -204.363621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.363621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.363621 (E_RNA) where: Base-Base interactions energy: -138.635 where: short stacking energy: -56.202 Base-Backbone interact. energy: -0.039 local terms energy: -65.690386 where: bonds (distance) C4'-P energy: -12.812 bonds (distance) P-C4' energy: -13.518 flat angles C4'-P-C4' energy: -15.422 flat angles P-C4'-P energy: -8.367 tors. eta vs tors. theta energy: -15.571 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: 2, replica: 2 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -199.601292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.601292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.601292 (E_RNA) where: Base-Base interactions energy: -139.102 where: short stacking energy: -59.287 Base-Backbone interact. energy: 0.079 local terms energy: -60.577711 where: bonds (distance) C4'-P energy: -13.470 bonds (distance) P-C4' energy: -10.776 flat angles C4'-P-C4' energy: -11.453 flat angles P-C4'-P energy: -8.249 tors. eta vs tors. theta energy: -16.630 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: 1 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -148.181656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.181656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.181656 (E_RNA) where: Base-Base interactions energy: -99.522 where: short stacking energy: -41.874 Base-Backbone interact. energy: -0.802 local terms energy: -47.857979 where: bonds (distance) C4'-P energy: -8.758 bonds (distance) P-C4' energy: -12.089 flat angles C4'-P-C4' energy: -10.942 flat angles P-C4'-P energy: -7.993 tors. eta vs tors. theta energy: -8.076 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: 50 Temperature: 1.050000 Total energy: -141.157302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.157302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.157302 (E_RNA) where: Base-Base interactions energy: -94.268 where: short stacking energy: -41.912 Base-Backbone interact. energy: -0.015 local terms energy: -46.874235 where: bonds (distance) C4'-P energy: -9.670 bonds (distance) P-C4' energy: -8.312 flat angles C4'-P-C4' energy: -12.475 flat angles P-C4'-P energy: -6.972 tors. eta vs tors. theta energy: -9.446 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: 7 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -77.641012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.641012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.641012 (E_RNA) where: Base-Base interactions energy: -34.661 where: short stacking energy: -30.478 Base-Backbone interact. energy: -0.118 local terms energy: -42.862642 where: bonds (distance) C4'-P energy: -12.207 bonds (distance) P-C4' energy: -12.619 flat angles C4'-P-C4' energy: -8.424 flat angles P-C4'-P energy: -7.157 tors. eta vs tors. theta energy: -2.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -75.361160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.361160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.361160 (E_RNA) where: Base-Base interactions energy: -33.017 where: short stacking energy: -33.017 Base-Backbone interact. energy: -0.229 local terms energy: -42.115994 where: bonds (distance) C4'-P energy: -10.043 bonds (distance) P-C4' energy: -9.024 flat angles C4'-P-C4' energy: -5.809 flat angles P-C4'-P energy: -10.246 tors. eta vs tors. theta energy: -6.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -81.970578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.970578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.970578 (E_RNA) where: Base-Base interactions energy: -35.680 where: short stacking energy: -26.384 Base-Backbone interact. energy: -0.002 local terms energy: -46.288858 where: bonds (distance) C4'-P energy: -9.732 bonds (distance) P-C4' energy: -12.428 flat angles C4'-P-C4' energy: -9.546 flat angles P-C4'-P energy: -10.242 tors. eta vs tors. theta energy: -4.342 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: 10 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -74.675465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.675465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.675465 (E_RNA) where: Base-Base interactions energy: -27.396 where: short stacking energy: -23.053 Base-Backbone interact. energy: -0.099 local terms energy: -47.180240 where: bonds (distance) C4'-P energy: -11.976 bonds (distance) P-C4' energy: -13.113 flat angles C4'-P-C4' energy: -11.480 flat angles P-C4'-P energy: -8.664 tors. eta vs tors. theta energy: -1.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -76.854319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.854319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.854319 (E_RNA) where: Base-Base interactions energy: -41.611 where: short stacking energy: -22.783 Base-Backbone interact. energy: -0.378 local terms energy: -34.865285 where: bonds (distance) C4'-P energy: -8.585 bonds (distance) P-C4' energy: -12.162 flat angles C4'-P-C4' energy: -5.264 flat angles P-C4'-P energy: -4.003 tors. eta vs tors. theta energy: -4.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -67.337426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.337426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.337426 (E_RNA) where: Base-Base interactions energy: -28.023 where: short stacking energy: -28.023 Base-Backbone interact. energy: -0.025 local terms energy: -39.289825 where: bonds (distance) C4'-P energy: -8.663 bonds (distance) P-C4' energy: -11.736 flat angles C4'-P-C4' energy: -8.936 flat angles P-C4'-P energy: -5.594 tors. eta vs tors. theta energy: -4.361 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: 51 Temperature: 0.900000 Total energy: -204.798086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.798086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.798086 (E_RNA) where: Base-Base interactions energy: -145.656 where: short stacking energy: -63.162 Base-Backbone interact. energy: -0.131 local terms energy: -59.010112 where: bonds (distance) C4'-P energy: -11.400 bonds (distance) P-C4' energy: -10.749 flat angles C4'-P-C4' energy: -13.166 flat angles P-C4'-P energy: -6.678 tors. eta vs tors. theta energy: -17.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -158.971805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.971805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.971805 (E_RNA) where: Base-Base interactions energy: -102.858 where: short stacking energy: -47.950 Base-Backbone interact. energy: -0.030 local terms energy: -56.083718 where: bonds (distance) C4'-P energy: -12.361 bonds (distance) P-C4' energy: -13.557 flat angles C4'-P-C4' energy: -11.609 flat angles P-C4'-P energy: -7.731 tors. eta vs tors. theta energy: -10.826 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: 2 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -175.619467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.619467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.619467 (E_RNA) where: Base-Base interactions energy: -118.349 where: short stacking energy: -55.986 Base-Backbone interact. energy: -0.031 local terms energy: -57.240331 where: bonds (distance) C4'-P energy: -10.552 bonds (distance) P-C4' energy: -12.497 flat angles C4'-P-C4' energy: -12.383 flat angles P-C4'-P energy: -9.274 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: 4, replica: 8 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -153.598263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.598263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.598263 (E_RNA) where: Base-Base interactions energy: -96.153 where: short stacking energy: -43.662 Base-Backbone interact. energy: -0.298 local terms energy: -57.147597 where: bonds (distance) C4'-P energy: -11.677 bonds (distance) P-C4' energy: -14.793 flat angles C4'-P-C4' energy: -11.477 flat angles P-C4'-P energy: -9.011 tors. eta vs tors. theta energy: -10.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -79.937505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.937505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.937505 (E_RNA) where: Base-Base interactions energy: -34.599 where: short stacking energy: -32.580 Base-Backbone interact. energy: -0.111 local terms energy: -45.227213 where: bonds (distance) C4'-P energy: -9.590 bonds (distance) P-C4' energy: -12.184 flat angles C4'-P-C4' energy: -9.646 flat angles P-C4'-P energy: -5.032 tors. eta vs tors. theta energy: -8.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -92.555158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.555158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.555158 (E_RNA) where: Base-Base interactions energy: -40.943 where: short stacking energy: -40.943 Base-Backbone interact. energy: -0.121 local terms energy: -51.491805 where: bonds (distance) C4'-P energy: -9.963 bonds (distance) P-C4' energy: -10.088 flat angles C4'-P-C4' energy: -12.649 flat angles P-C4'-P energy: -9.985 tors. eta vs tors. theta energy: -8.807 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: 4 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -73.940513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.940513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.940513 (E_RNA) where: Base-Base interactions energy: -29.392 where: short stacking energy: -21.628 Base-Backbone interact. energy: -1.765 local terms energy: -42.783478 where: bonds (distance) C4'-P energy: -10.618 bonds (distance) P-C4' energy: -12.870 flat angles C4'-P-C4' energy: -10.319 flat angles P-C4'-P energy: -8.121 tors. eta vs tors. theta energy: -0.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -73.187850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.187850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.187850 (E_RNA) where: Base-Base interactions energy: -29.627 where: short stacking energy: -29.627 Base-Backbone interact. energy: -0.116 local terms energy: -43.444698 where: bonds (distance) C4'-P energy: -11.810 bonds (distance) P-C4' energy: -10.838 flat angles C4'-P-C4' energy: -7.493 flat angles P-C4'-P energy: -7.800 tors. eta vs tors. theta energy: -5.504 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: 6 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -72.987179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.987179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.987179 (E_RNA) where: Base-Base interactions energy: -29.272 where: short stacking energy: -24.805 Base-Backbone interact. energy: -0.211 local terms energy: -43.503641 where: bonds (distance) C4'-P energy: -10.998 bonds (distance) P-C4' energy: -12.864 flat angles C4'-P-C4' energy: -10.592 flat angles P-C4'-P energy: -6.397 tors. eta vs tors. theta energy: -2.653 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: 3 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -60.121659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.121659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.121659 (E_RNA) where: Base-Base interactions energy: -18.640 where: short stacking energy: -16.078 Base-Backbone interact. energy: -0.106 local terms energy: -41.376161 where: bonds (distance) C4'-P energy: -11.822 bonds (distance) P-C4' energy: -11.390 flat angles C4'-P-C4' energy: -8.518 flat angles P-C4'-P energy: -5.823 tors. eta vs tors. theta energy: -3.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -206.276466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.276466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.276466 (E_RNA) where: Base-Base interactions energy: -140.708 where: short stacking energy: -57.314 Base-Backbone interact. energy: -0.123 local terms energy: -65.445744 where: bonds (distance) C4'-P energy: -12.671 bonds (distance) P-C4' energy: -13.472 flat angles C4'-P-C4' energy: -13.619 flat angles P-C4'-P energy: -9.252 tors. eta vs tors. theta energy: -16.432 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: 1 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -157.894360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.894360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.894360 (E_RNA) where: Base-Base interactions energy: -103.513 where: short stacking energy: -43.286 Base-Backbone interact. energy: -0.699 local terms energy: -53.682367 where: bonds (distance) C4'-P energy: -11.374 bonds (distance) P-C4' energy: -10.411 flat angles C4'-P-C4' energy: -13.164 flat angles P-C4'-P energy: -7.348 tors. eta vs tors. theta energy: -11.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -184.843370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.843370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.843370 (E_RNA) where: Base-Base interactions energy: -127.454 where: short stacking energy: -49.558 Base-Backbone interact. energy: -0.072 local terms energy: -57.317016 where: bonds (distance) C4'-P energy: -11.301 bonds (distance) P-C4' energy: -14.166 flat angles C4'-P-C4' energy: -12.789 flat angles P-C4'-P energy: -6.415 tors. eta vs tors. theta energy: -12.645 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: 8 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -151.592117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.592117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.592117 (E_RNA) where: Base-Base interactions energy: -96.351 where: short stacking energy: -51.457 Base-Backbone interact. energy: -0.315 local terms energy: -54.926785 where: bonds (distance) C4'-P energy: -11.835 bonds (distance) P-C4' energy: -10.544 flat angles C4'-P-C4' energy: -10.818 flat angles P-C4'-P energy: -7.491 tors. eta vs tors. theta energy: -14.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -85.306440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.306440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.306440 (E_RNA) where: Base-Base interactions energy: -32.121 where: short stacking energy: -30.930 Base-Backbone interact. energy: -0.002 local terms energy: -53.183950 where: bonds (distance) C4'-P energy: -13.656 bonds (distance) P-C4' energy: -13.873 flat angles C4'-P-C4' energy: -13.911 flat angles P-C4'-P energy: -3.333 tors. eta vs tors. theta energy: -8.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -84.802452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.802452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.802452 (E_RNA) where: Base-Base interactions energy: -38.367 where: short stacking energy: -38.367 Base-Backbone interact. energy: -0.017 local terms energy: -46.418006 where: bonds (distance) C4'-P energy: -10.290 bonds (distance) P-C4' energy: -11.929 flat angles C4'-P-C4' energy: -5.783 flat angles P-C4'-P energy: -9.334 tors. eta vs tors. theta energy: -9.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -87.636553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.636553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.636553 (E_RNA) where: Base-Base interactions energy: -39.479 where: short stacking energy: -39.479 Base-Backbone interact. energy: -0.135 local terms energy: -48.023193 where: bonds (distance) C4'-P energy: -13.123 bonds (distance) P-C4' energy: -11.090 flat angles C4'-P-C4' energy: -4.416 flat angles P-C4'-P energy: -8.975 tors. eta vs tors. theta energy: -10.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -69.198352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.198352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.198352 (E_RNA) where: Base-Base interactions energy: -28.303 where: short stacking energy: -28.303 Base-Backbone interact. energy: -0.075 local terms energy: -40.820318 where: bonds (distance) C4'-P energy: -11.036 bonds (distance) P-C4' energy: -12.746 flat angles C4'-P-C4' energy: -9.752 flat angles P-C4'-P energy: -3.857 tors. eta vs tors. theta energy: -3.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -66.366641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.366641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.366641 (E_RNA) where: Base-Base interactions energy: -22.000 where: short stacking energy: -22.000 Base-Backbone interact. energy: -0.238 local terms energy: -44.128725 where: bonds (distance) C4'-P energy: -12.365 bonds (distance) P-C4' energy: -14.159 flat angles C4'-P-C4' energy: -6.450 flat angles P-C4'-P energy: -9.617 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: 6 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -61.301103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.301103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.301103 (E_RNA) where: Base-Base interactions energy: -21.550 where: short stacking energy: -17.952 Base-Backbone interact. energy: -0.663 local terms energy: -39.088233 where: bonds (distance) C4'-P energy: -10.577 bonds (distance) P-C4' energy: -11.517 flat angles C4'-P-C4' energy: -6.256 flat angles P-C4'-P energy: -5.261 tors. eta vs tors. theta energy: -5.477 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: 9 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -206.743290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.743290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.743290 (E_RNA) where: Base-Base interactions energy: -142.111 where: short stacking energy: -58.152 Base-Backbone interact. energy: -0.000 local terms energy: -64.632322 where: bonds (distance) C4'-P energy: -14.828 bonds (distance) P-C4' energy: -13.110 flat angles C4'-P-C4' energy: -13.250 flat angles P-C4'-P energy: -7.785 tors. eta vs tors. theta energy: -15.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -198.949558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.949558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.949558 (E_RNA) where: Base-Base interactions energy: -143.177 where: short stacking energy: -61.835 Base-Backbone interact. energy: -0.008 local terms energy: -55.763961 where: bonds (distance) C4'-P energy: -10.841 bonds (distance) P-C4' energy: -10.877 flat angles C4'-P-C4' energy: -10.082 flat angles P-C4'-P energy: -7.737 tors. eta vs tors. theta energy: -16.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -157.637664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.637664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.637664 (E_RNA) where: Base-Base interactions energy: -96.332 where: short stacking energy: -46.604 Base-Backbone interact. energy: -0.381 local terms energy: -60.924695 where: bonds (distance) C4'-P energy: -14.046 bonds (distance) P-C4' energy: -11.990 flat angles C4'-P-C4' energy: -12.470 flat angles P-C4'-P energy: -9.774 tors. eta vs tors. theta energy: -12.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -154.524961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.524961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.524961 (E_RNA) where: Base-Base interactions energy: -96.916 where: short stacking energy: -51.630 Base-Backbone interact. energy: 0.941 local terms energy: -58.549469 where: bonds (distance) C4'-P energy: -13.343 bonds (distance) P-C4' energy: -13.128 flat angles C4'-P-C4' energy: -12.563 flat angles P-C4'-P energy: -9.252 tors. eta vs tors. theta energy: -10.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -76.909737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.909737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.909737 (E_RNA) where: Base-Base interactions energy: -33.527 where: short stacking energy: -24.318 Base-Backbone interact. energy: -0.135 local terms energy: -43.247403 where: bonds (distance) C4'-P energy: -8.602 bonds (distance) P-C4' energy: -12.889 flat angles C4'-P-C4' energy: -9.732 flat angles P-C4'-P energy: -6.499 tors. eta vs tors. theta energy: -5.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -93.812408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.812408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.812408 (E_RNA) where: Base-Base interactions energy: -43.039 where: short stacking energy: -39.108 Base-Backbone interact. energy: -0.003 local terms energy: -50.770379 where: bonds (distance) C4'-P energy: -10.940 bonds (distance) P-C4' energy: -12.368 flat angles C4'-P-C4' energy: -11.788 flat angles P-C4'-P energy: -7.040 tors. eta vs tors. theta energy: -8.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -71.976237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.976237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.976237 (E_RNA) where: Base-Base interactions energy: -24.682 where: short stacking energy: -24.682 Base-Backbone interact. energy: -0.122 local terms energy: -47.172520 where: bonds (distance) C4'-P energy: -10.751 bonds (distance) P-C4' energy: -7.783 flat angles C4'-P-C4' energy: -9.075 flat angles P-C4'-P energy: -10.083 tors. eta vs tors. theta energy: -9.481 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: 8, replica: 3 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -66.004674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.004674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.004674 (E_RNA) where: Base-Base interactions energy: -22.506 where: short stacking energy: -22.108 Base-Backbone interact. energy: -0.182 local terms energy: -43.317254 where: bonds (distance) C4'-P energy: -6.527 bonds (distance) P-C4' energy: -13.223 flat angles C4'-P-C4' energy: -11.822 flat angles P-C4'-P energy: -10.748 tors. eta vs tors. theta energy: -0.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -68.317936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.317936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.317936 (E_RNA) where: Base-Base interactions energy: -25.914 where: short stacking energy: -25.600 Base-Backbone interact. energy: -0.057 local terms energy: -42.347298 where: bonds (distance) C4'-P energy: -12.576 bonds (distance) P-C4' energy: -12.954 flat angles C4'-P-C4' energy: -8.014 flat angles P-C4'-P energy: -8.248 tors. eta vs tors. theta energy: -0.555 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: 6 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -150.783170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.783170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.783170 (E_RNA) where: Base-Base interactions energy: -110.683 where: short stacking energy: -43.956 Base-Backbone interact. energy: -0.269 local terms energy: -39.831563 where: bonds (distance) C4'-P energy: -2.726 bonds (distance) P-C4' energy: -7.967 flat angles C4'-P-C4' energy: -11.476 flat angles P-C4'-P energy: -8.433 tors. eta vs tors. theta energy: -9.230 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: 2 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -208.329090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.329090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.329090 (E_RNA) where: Base-Base interactions energy: -147.069 where: short stacking energy: -64.105 Base-Backbone interact. energy: -0.007 local terms energy: -61.253674 where: bonds (distance) C4'-P energy: -13.540 bonds (distance) P-C4' energy: -13.131 flat angles C4'-P-C4' energy: -11.055 flat angles P-C4'-P energy: -6.523 tors. eta vs tors. theta energy: -17.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -209.254071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.254071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.254071 (E_RNA) where: Base-Base interactions energy: -143.601 where: short stacking energy: -61.951 Base-Backbone interact. energy: -1.183 local terms energy: -64.470023 where: bonds (distance) C4'-P energy: -11.223 bonds (distance) P-C4' energy: -13.059 flat angles C4'-P-C4' energy: -14.557 flat angles P-C4'-P energy: -9.386 tors. eta vs tors. theta energy: -16.244 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: 8 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -150.661516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.661516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.661516 (E_RNA) where: Base-Base interactions energy: -91.053 where: short stacking energy: -43.407 Base-Backbone interact. energy: -0.017 local terms energy: -59.591869 where: bonds (distance) C4'-P energy: -12.692 bonds (distance) P-C4' energy: -13.258 flat angles C4'-P-C4' energy: -11.897 flat angles P-C4'-P energy: -10.949 tors. eta vs tors. theta energy: -10.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -158.868349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.868349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.868349 (E_RNA) where: Base-Base interactions energy: -105.566 where: short stacking energy: -48.828 Base-Backbone interact. energy: -0.085 local terms energy: -53.217162 where: bonds (distance) C4'-P energy: -10.497 bonds (distance) P-C4' energy: -10.315 flat angles C4'-P-C4' energy: -10.459 flat angles P-C4'-P energy: -6.664 tors. eta vs tors. theta energy: -15.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -77.894786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.894786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.894786 (E_RNA) where: Base-Base interactions energy: -32.619 where: short stacking energy: -25.305 Base-Backbone interact. energy: -0.133 local terms energy: -45.143142 where: bonds (distance) C4'-P energy: -9.290 bonds (distance) P-C4' energy: -14.790 flat angles C4'-P-C4' energy: -13.057 flat angles P-C4'-P energy: -3.838 tors. eta vs tors. theta energy: -4.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -75.329354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.329354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.329354 (E_RNA) where: Base-Base interactions energy: -27.476 where: short stacking energy: -26.233 Base-Backbone interact. energy: -1.372 local terms energy: -46.480973 where: bonds (distance) C4'-P energy: -8.784 bonds (distance) P-C4' energy: -11.494 flat angles C4'-P-C4' energy: -13.705 flat angles P-C4'-P energy: -7.632 tors. eta vs tors. theta energy: -4.866 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: 7, replica: 3 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -72.593197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.593197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.593197 (E_RNA) where: Base-Base interactions energy: -30.316 where: short stacking energy: -29.312 Base-Backbone interact. energy: -0.216 local terms energy: -42.061394 where: bonds (distance) C4'-P energy: -12.323 bonds (distance) P-C4' energy: -13.469 flat angles C4'-P-C4' energy: -10.012 flat angles P-C4'-P energy: -0.847 tors. eta vs tors. theta energy: -5.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -77.426639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.426639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.426639 (E_RNA) where: Base-Base interactions energy: -30.371 where: short stacking energy: -30.371 Base-Backbone interact. energy: -0.009 local terms energy: -47.046309 where: bonds (distance) C4'-P energy: -13.255 bonds (distance) P-C4' energy: -11.849 flat angles C4'-P-C4' energy: -12.249 flat angles P-C4'-P energy: -6.997 tors. eta vs tors. theta energy: -2.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -173.185363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.185363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.185363 (E_RNA) where: Base-Base interactions energy: -124.153 where: short stacking energy: -52.662 Base-Backbone interact. energy: -0.029 local terms energy: -49.003102 where: bonds (distance) C4'-P energy: -8.961 bonds (distance) P-C4' energy: -11.458 flat angles C4'-P-C4' energy: -12.580 flat angles P-C4'-P energy: -3.393 tors. eta vs tors. theta energy: -12.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -59.491257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.491257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.491257 (E_RNA) where: Base-Base interactions energy: -18.685 where: short stacking energy: -18.685 Base-Backbone interact. energy: -0.165 local terms energy: -40.641191 where: bonds (distance) C4'-P energy: -10.621 bonds (distance) P-C4' energy: -14.171 flat angles C4'-P-C4' energy: -10.561 flat angles P-C4'-P energy: -4.003 tors. eta vs tors. theta energy: -1.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -202.628025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.628025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.628025 (E_RNA) where: Base-Base interactions energy: -136.158 where: short stacking energy: -58.477 Base-Backbone interact. energy: -0.001 local terms energy: -66.469024 where: bonds (distance) C4'-P energy: -13.453 bonds (distance) P-C4' energy: -13.447 flat angles C4'-P-C4' energy: -13.956 flat angles P-C4'-P energy: -7.000 tors. eta vs tors. theta energy: -18.612 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: 9 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -198.349581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.349581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.349581 (E_RNA) where: Base-Base interactions energy: -136.986 where: short stacking energy: -58.362 Base-Backbone interact. energy: -0.296 local terms energy: -61.067482 where: bonds (distance) C4'-P energy: -9.363 bonds (distance) P-C4' energy: -14.389 flat angles C4'-P-C4' energy: -13.575 flat angles P-C4'-P energy: -7.907 tors. eta vs tors. theta energy: -15.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -147.855248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.855248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.855248 (E_RNA) where: Base-Base interactions energy: -97.988 where: short stacking energy: -46.636 Base-Backbone interact. energy: -0.114 local terms energy: -49.753466 where: bonds (distance) C4'-P energy: -8.487 bonds (distance) P-C4' energy: -13.512 flat angles C4'-P-C4' energy: -12.854 flat angles P-C4'-P energy: -5.376 tors. eta vs tors. theta energy: -9.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -150.179079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.179079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.179079 (E_RNA) where: Base-Base interactions energy: -90.320 where: short stacking energy: -45.342 Base-Backbone interact. energy: -0.000 local terms energy: -59.858634 where: bonds (distance) C4'-P energy: -11.247 bonds (distance) P-C4' energy: -9.884 flat angles C4'-P-C4' energy: -13.096 flat angles P-C4'-P energy: -10.468 tors. eta vs tors. theta energy: -15.163 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: 5, replica: 4 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -90.918670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.918670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.918670 (E_RNA) where: Base-Base interactions energy: -47.193 where: short stacking energy: -33.516 Base-Backbone interact. energy: -0.134 local terms energy: -43.591305 where: bonds (distance) C4'-P energy: -9.126 bonds (distance) P-C4' energy: -10.242 flat angles C4'-P-C4' energy: -10.495 flat angles P-C4'-P energy: -7.212 tors. eta vs tors. theta energy: -6.517 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: 3 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -83.259144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.259144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.259144 (E_RNA) where: Base-Base interactions energy: -35.207 where: short stacking energy: -30.945 Base-Backbone interact. energy: -0.019 local terms energy: -48.033065 where: bonds (distance) C4'-P energy: -11.616 bonds (distance) P-C4' energy: -12.165 flat angles C4'-P-C4' energy: -11.811 flat angles P-C4'-P energy: -9.398 tors. eta vs tors. theta energy: -3.042 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: 5 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -73.185550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.185550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.185550 (E_RNA) where: Base-Base interactions energy: -26.891 where: short stacking energy: -26.891 Base-Backbone interact. energy: -0.090 local terms energy: -46.204471 where: bonds (distance) C4'-P energy: -11.085 bonds (distance) P-C4' energy: -12.691 flat angles C4'-P-C4' energy: -11.930 flat angles P-C4'-P energy: -8.414 tors. eta vs tors. theta energy: -2.084 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: 6 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -161.378647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.378647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.378647 (E_RNA) where: Base-Base interactions energy: -106.467 where: short stacking energy: -39.951 Base-Backbone interact. energy: -0.098 local terms energy: -54.813339 where: bonds (distance) C4'-P energy: -12.576 bonds (distance) P-C4' energy: -12.367 flat angles C4'-P-C4' energy: -12.115 flat angles P-C4'-P energy: -11.033 tors. eta vs tors. theta energy: -6.723 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: 9, replica: 7 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -65.253733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.253733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.253733 (E_RNA) where: Base-Base interactions energy: -17.615 where: short stacking energy: -13.878 Base-Backbone interact. energy: -0.123 local terms energy: -47.515680 where: bonds (distance) C4'-P energy: -12.477 bonds (distance) P-C4' energy: -12.211 flat angles C4'-P-C4' energy: -12.040 flat angles P-C4'-P energy: -6.579 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: 55 Temperature: 1.350000 Total energy: -66.772768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.772768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.772768 (E_RNA) where: Base-Base interactions energy: -20.617 where: short stacking energy: -20.617 Base-Backbone interact. energy: -0.068 local terms energy: -46.087912 where: bonds (distance) C4'-P energy: -12.475 bonds (distance) P-C4' energy: -13.480 flat angles C4'-P-C4' energy: -11.175 flat angles P-C4'-P energy: -8.664 tors. eta vs tors. theta energy: -0.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -203.009846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.009846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.009846 (E_RNA) where: Base-Base interactions energy: -140.303 where: short stacking energy: -57.247 Base-Backbone interact. energy: -0.085 local terms energy: -62.621542 where: bonds (distance) C4'-P energy: -13.184 bonds (distance) P-C4' energy: -12.442 flat angles C4'-P-C4' energy: -15.010 flat angles P-C4'-P energy: -5.721 tors. eta vs tors. theta energy: -16.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -203.929390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.929390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.929390 (E_RNA) where: Base-Base interactions energy: -140.193 where: short stacking energy: -58.727 Base-Backbone interact. energy: 0.312 local terms energy: -64.047939 where: bonds (distance) C4'-P energy: -12.364 bonds (distance) P-C4' energy: -13.708 flat angles C4'-P-C4' energy: -11.723 flat angles P-C4'-P energy: -10.134 tors. eta vs tors. theta energy: -16.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -157.257468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.257468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.257468 (E_RNA) where: Base-Base interactions energy: -97.482 where: short stacking energy: -49.820 Base-Backbone interact. energy: -0.002 local terms energy: -59.774023 where: bonds (distance) C4'-P energy: -12.281 bonds (distance) P-C4' energy: -10.412 flat angles C4'-P-C4' energy: -15.350 flat angles P-C4'-P energy: -8.546 tors. eta vs tors. theta energy: -13.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -141.498832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.498832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.498832 (E_RNA) where: Base-Base interactions energy: -82.749 where: short stacking energy: -46.631 Base-Backbone interact. energy: 0.063 local terms energy: -58.813041 where: bonds (distance) C4'-P energy: -11.764 bonds (distance) P-C4' energy: -11.372 flat angles C4'-P-C4' energy: -13.432 flat angles P-C4'-P energy: -9.306 tors. eta vs tors. theta energy: -12.939 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: 4 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -100.877254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.877254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.877254 (E_RNA) where: Base-Base interactions energy: -52.189 where: short stacking energy: -33.872 Base-Backbone interact. energy: -0.017 local terms energy: -48.671499 where: bonds (distance) C4'-P energy: -12.585 bonds (distance) P-C4' energy: -8.191 flat angles C4'-P-C4' energy: -13.856 flat angles P-C4'-P energy: -4.264 tors. eta vs tors. theta energy: -9.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -79.328806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.328806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.328806 (E_RNA) where: Base-Base interactions energy: -30.323 where: short stacking energy: -30.923 Base-Backbone interact. energy: -2.246 local terms energy: -46.760471 where: bonds (distance) C4'-P energy: -12.505 bonds (distance) P-C4' energy: -10.663 flat angles C4'-P-C4' energy: -13.625 flat angles P-C4'-P energy: -5.054 tors. eta vs tors. theta energy: -4.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -167.859798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.859798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.859798 (E_RNA) where: Base-Base interactions energy: -117.184 where: short stacking energy: -48.728 Base-Backbone interact. energy: -0.251 local terms energy: -50.424838 where: bonds (distance) C4'-P energy: -8.825 bonds (distance) P-C4' energy: -12.817 flat angles C4'-P-C4' energy: -9.115 flat angles P-C4'-P energy: -8.649 tors. eta vs tors. theta energy: -11.019 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: 5 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -66.096886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.096886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.096886 (E_RNA) where: Base-Base interactions energy: -20.691 where: short stacking energy: -18.983 Base-Backbone interact. energy: -0.234 local terms energy: -45.171020 where: bonds (distance) C4'-P energy: -14.385 bonds (distance) P-C4' energy: -7.255 flat angles C4'-P-C4' energy: -12.159 flat angles P-C4'-P energy: -8.493 tors. eta vs tors. theta energy: -2.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -81.582743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.582743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.582743 (E_RNA) where: Base-Base interactions energy: -40.473 where: short stacking energy: -31.532 Base-Backbone interact. energy: -0.729 local terms energy: -40.380292 where: bonds (distance) C4'-P energy: -10.264 bonds (distance) P-C4' energy: -12.176 flat angles C4'-P-C4' energy: -10.788 flat angles P-C4'-P energy: -2.009 tors. eta vs tors. theta energy: -5.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -63.559856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.559856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.559856 (E_RNA) where: Base-Base interactions energy: -28.787 where: short stacking energy: -28.702 Base-Backbone interact. energy: -0.039 local terms energy: -34.734121 where: bonds (distance) C4'-P energy: -7.555 bonds (distance) P-C4' energy: -9.035 flat angles C4'-P-C4' energy: -11.461 flat angles P-C4'-P energy: -3.942 tors. eta vs tors. theta energy: -2.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -201.469854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.469854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.469854 (E_RNA) where: Base-Base interactions energy: -135.682 where: short stacking energy: -56.838 Base-Backbone interact. energy: -0.575 local terms energy: -65.213103 where: bonds (distance) C4'-P energy: -13.429 bonds (distance) P-C4' energy: -14.060 flat angles C4'-P-C4' energy: -12.975 flat angles P-C4'-P energy: -7.597 tors. eta vs tors. theta energy: -17.151 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: 2 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -202.373322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.373322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.373322 (E_RNA) where: Base-Base interactions energy: -139.962 where: short stacking energy: -55.487 Base-Backbone interact. energy: -0.711 local terms energy: -61.700257 where: bonds (distance) C4'-P energy: -12.336 bonds (distance) P-C4' energy: -10.118 flat angles C4'-P-C4' energy: -12.591 flat angles P-C4'-P energy: -8.922 tors. eta vs tors. theta energy: -17.734 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: 1 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -158.582031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.582031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.582031 (E_RNA) where: Base-Base interactions energy: -97.276 where: short stacking energy: -49.070 Base-Backbone interact. energy: -0.006 local terms energy: -61.299885 where: bonds (distance) C4'-P energy: -13.648 bonds (distance) P-C4' energy: -13.744 flat angles C4'-P-C4' energy: -12.361 flat angles P-C4'-P energy: -5.505 tors. eta vs tors. theta energy: -16.042 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: 57 Temperature: 1.050000 Total energy: -142.351285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.351285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.351285 (E_RNA) where: Base-Base interactions energy: -87.598 where: short stacking energy: -44.288 Base-Backbone interact. energy: -0.117 local terms energy: -54.637151 where: bonds (distance) C4'-P energy: -10.461 bonds (distance) P-C4' energy: -13.744 flat angles C4'-P-C4' energy: -13.034 flat angles P-C4'-P energy: -5.943 tors. eta vs tors. theta energy: -11.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -105.322791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.322791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.322791 (E_RNA) where: Base-Base interactions energy: -59.907 where: short stacking energy: -26.942 Base-Backbone interact. energy: -0.065 local terms energy: -45.351121 where: bonds (distance) C4'-P energy: -10.613 bonds (distance) P-C4' energy: -11.941 flat angles C4'-P-C4' energy: -5.630 flat angles P-C4'-P energy: -7.589 tors. eta vs tors. theta energy: -9.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -164.509232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.509232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.509232 (E_RNA) where: Base-Base interactions energy: -113.636 where: short stacking energy: -46.107 Base-Backbone interact. energy: -0.012 local terms energy: -50.860681 where: bonds (distance) C4'-P energy: -13.967 bonds (distance) P-C4' energy: -7.437 flat angles C4'-P-C4' energy: -13.175 flat angles P-C4'-P energy: -9.411 tors. eta vs tors. theta energy: -6.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -87.643858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.643858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.643858 (E_RNA) where: Base-Base interactions energy: -37.500 where: short stacking energy: -27.324 Base-Backbone interact. energy: 0.487 local terms energy: -50.630341 where: bonds (distance) C4'-P energy: -12.208 bonds (distance) P-C4' energy: -13.560 flat angles C4'-P-C4' energy: -8.356 flat angles P-C4'-P energy: -9.220 tors. eta vs tors. theta energy: -7.285 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: 8, replica: 5 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -70.159145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.159145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.159145 (E_RNA) where: Base-Base interactions energy: -24.779 where: short stacking energy: -24.779 Base-Backbone interact. energy: -0.007 local terms energy: -45.372531 where: bonds (distance) C4'-P energy: -9.318 bonds (distance) P-C4' energy: -12.190 flat angles C4'-P-C4' energy: -7.254 flat angles P-C4'-P energy: -10.789 tors. eta vs tors. theta energy: -5.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -67.838061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.838061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.838061 (E_RNA) where: Base-Base interactions energy: -26.045 where: short stacking energy: -26.045 Base-Backbone interact. energy: -0.111 local terms energy: -41.682487 where: bonds (distance) C4'-P energy: -7.815 bonds (distance) P-C4' energy: -14.060 flat angles C4'-P-C4' energy: -8.676 flat angles P-C4'-P energy: -11.352 tors. eta vs tors. theta energy: 0.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -60.665098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.665098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.665098 (E_RNA) where: Base-Base interactions energy: -15.735 where: short stacking energy: -15.735 Base-Backbone interact. energy: -0.120 local terms energy: -44.809788 where: bonds (distance) C4'-P energy: -9.281 bonds (distance) P-C4' energy: -13.723 flat angles C4'-P-C4' energy: -11.952 flat angles P-C4'-P energy: -9.179 tors. eta vs tors. theta energy: -0.675 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: 2 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -199.947269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.947269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.947269 (E_RNA) where: Base-Base interactions energy: -134.561 where: short stacking energy: -59.385 Base-Backbone interact. energy: -0.419 local terms energy: -64.967181 where: bonds (distance) C4'-P energy: -14.472 bonds (distance) P-C4' energy: -12.870 flat angles C4'-P-C4' energy: -11.337 flat angles P-C4'-P energy: -9.187 tors. eta vs tors. theta energy: -17.101 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: 9 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -200.711226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.711226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.711226 (E_RNA) where: Base-Base interactions energy: -133.459 where: short stacking energy: -54.738 Base-Backbone interact. energy: -0.217 local terms energy: -67.035151 where: bonds (distance) C4'-P energy: -11.533 bonds (distance) P-C4' energy: -15.097 flat angles C4'-P-C4' energy: -14.595 flat angles P-C4'-P energy: -9.433 tors. eta vs tors. theta energy: -16.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -147.739312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.739312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.739312 (E_RNA) where: Base-Base interactions energy: -94.682 where: short stacking energy: -47.630 Base-Backbone interact. energy: -0.167 local terms energy: -52.891164 where: bonds (distance) C4'-P energy: -10.452 bonds (distance) P-C4' energy: -11.647 flat angles C4'-P-C4' energy: -9.575 flat angles P-C4'-P energy: -9.732 tors. eta vs tors. theta energy: -11.485 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: 4, replica: 1 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -150.322124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.322124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.322124 (E_RNA) where: Base-Base interactions energy: -89.581 where: short stacking energy: -46.080 Base-Backbone interact. energy: -0.004 local terms energy: -60.737964 where: bonds (distance) C4'-P energy: -11.897 bonds (distance) P-C4' energy: -12.514 flat angles C4'-P-C4' energy: -11.184 flat angles P-C4'-P energy: -11.263 tors. eta vs tors. theta energy: -13.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -188.925353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.925353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.925353 (E_RNA) where: Base-Base interactions energy: -134.785 where: short stacking energy: -57.418 Base-Backbone interact. energy: -0.001 local terms energy: -54.139534 where: bonds (distance) C4'-P energy: -12.158 bonds (distance) P-C4' energy: -6.100 flat angles C4'-P-C4' energy: -10.389 flat angles P-C4'-P energy: -7.894 tors. eta vs tors. theta energy: -17.599 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: 4 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -81.596882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.596882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.596882 (E_RNA) where: Base-Base interactions energy: -43.626 where: short stacking energy: -22.771 Base-Backbone interact. energy: 0.579 local terms energy: -38.550320 where: bonds (distance) C4'-P energy: -9.359 bonds (distance) P-C4' energy: -11.610 flat angles C4'-P-C4' energy: -7.254 flat angles P-C4'-P energy: -6.186 tors. eta vs tors. theta energy: -4.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -78.048809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.048809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.048809 (E_RNA) where: Base-Base interactions energy: -30.769 where: short stacking energy: -20.722 Base-Backbone interact. energy: -0.278 local terms energy: -47.002032 where: bonds (distance) C4'-P energy: -12.026 bonds (distance) P-C4' energy: -14.095 flat angles C4'-P-C4' energy: -10.301 flat angles P-C4'-P energy: -5.449 tors. eta vs tors. theta energy: -5.132 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: 3 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -74.040409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.040409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.040409 (E_RNA) where: Base-Base interactions energy: -30.383 where: short stacking energy: -27.424 Base-Backbone interact. energy: -0.054 local terms energy: -43.603038 where: bonds (distance) C4'-P energy: -9.537 bonds (distance) P-C4' energy: -12.416 flat angles C4'-P-C4' energy: -12.966 flat angles P-C4'-P energy: -5.818 tors. eta vs tors. theta energy: -2.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -72.263596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.263596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.263596 (E_RNA) where: Base-Base interactions energy: -34.172 where: short stacking energy: -30.234 Base-Backbone interact. energy: -0.211 local terms energy: -37.881068 where: bonds (distance) C4'-P energy: -5.437 bonds (distance) P-C4' energy: -12.015 flat angles C4'-P-C4' energy: -7.574 flat angles P-C4'-P energy: -8.563 tors. eta vs tors. theta energy: -4.292 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: 10 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -73.520984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.520984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.520984 (E_RNA) where: Base-Base interactions energy: -30.219 where: short stacking energy: -25.598 Base-Backbone interact. energy: -0.001 local terms energy: -43.300864 where: bonds (distance) C4'-P energy: -12.209 bonds (distance) P-C4' energy: -11.052 flat angles C4'-P-C4' energy: -9.220 flat angles P-C4'-P energy: -3.914 tors. eta vs tors. theta energy: -6.906 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: 2 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -213.953121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.953121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.953121 (E_RNA) where: Base-Base interactions energy: -146.628 where: short stacking energy: -65.022 Base-Backbone interact. energy: -0.004 local terms energy: -67.320871 where: bonds (distance) C4'-P energy: -13.478 bonds (distance) P-C4' energy: -11.528 flat angles C4'-P-C4' energy: -14.379 flat angles P-C4'-P energy: -10.402 tors. eta vs tors. theta energy: -17.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -206.560817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.560817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.560817 (E_RNA) where: Base-Base interactions energy: -141.820 where: short stacking energy: -60.298 Base-Backbone interact. energy: -0.001 local terms energy: -64.740482 where: bonds (distance) C4'-P energy: -10.768 bonds (distance) P-C4' energy: -13.547 flat angles C4'-P-C4' energy: -14.157 flat angles P-C4'-P energy: -8.772 tors. eta vs tors. theta energy: -17.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -145.319665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.319665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.319665 (E_RNA) where: Base-Base interactions energy: -96.036 where: short stacking energy: -47.981 Base-Backbone interact. energy: -0.004 local terms energy: -49.279317 where: bonds (distance) C4'-P energy: -12.138 bonds (distance) P-C4' energy: -12.339 flat angles C4'-P-C4' energy: -10.137 flat angles P-C4'-P energy: -4.320 tors. eta vs tors. theta energy: -10.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -196.003968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.003968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.003968 (E_RNA) where: Base-Base interactions energy: -142.755 where: short stacking energy: -59.136 Base-Backbone interact. energy: -0.420 local terms energy: -52.829714 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -10.080 flat angles C4'-P-C4' energy: -14.612 flat angles P-C4'-P energy: -7.767 tors. eta vs tors. theta energy: -14.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -147.546477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.546477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.546477 (E_RNA) where: Base-Base interactions energy: -90.556 where: short stacking energy: -34.634 Base-Backbone interact. energy: -0.503 local terms energy: -56.487042 where: bonds (distance) C4'-P energy: -13.739 bonds (distance) P-C4' energy: -12.758 flat angles C4'-P-C4' energy: -11.586 flat angles P-C4'-P energy: -9.112 tors. eta vs tors. theta energy: -9.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -106.236053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.236053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.236053 (E_RNA) where: Base-Base interactions energy: -62.875 where: short stacking energy: -21.791 Base-Backbone interact. energy: -0.148 local terms energy: -43.213239 where: bonds (distance) C4'-P energy: -13.246 bonds (distance) P-C4' energy: -12.438 flat angles C4'-P-C4' energy: -12.593 flat angles P-C4'-P energy: -5.531 tors. eta vs tors. theta energy: 0.596 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: 7, replica: 4 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -88.125414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.125414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.125414 (E_RNA) where: Base-Base interactions energy: -48.224 where: short stacking energy: -18.355 Base-Backbone interact. energy: -0.389 local terms energy: -39.512137 where: bonds (distance) C4'-P energy: -10.650 bonds (distance) P-C4' energy: -9.187 flat angles C4'-P-C4' energy: -12.841 flat angles P-C4'-P energy: -5.925 tors. eta vs tors. theta energy: -0.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -70.897285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.897285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.897285 (E_RNA) where: Base-Base interactions energy: -29.826 where: short stacking energy: -13.240 Base-Backbone interact. energy: -0.032 local terms energy: -41.039473 where: bonds (distance) C4'-P energy: -6.574 bonds (distance) P-C4' energy: -11.227 flat angles C4'-P-C4' energy: -13.419 flat angles P-C4'-P energy: -9.634 tors. eta vs tors. theta energy: -0.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -76.807373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.807373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.807373 (E_RNA) where: Base-Base interactions energy: -33.703 where: short stacking energy: -24.549 Base-Backbone interact. energy: -0.094 local terms energy: -43.010613 where: bonds (distance) C4'-P energy: -10.555 bonds (distance) P-C4' energy: -8.941 flat angles C4'-P-C4' energy: -10.588 flat angles P-C4'-P energy: -6.334 tors. eta vs tors. theta energy: -6.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -64.479346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.479346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.479346 (E_RNA) where: Base-Base interactions energy: -25.107 where: short stacking energy: -22.382 Base-Backbone interact. energy: -0.237 local terms energy: -39.134914 where: bonds (distance) C4'-P energy: -9.215 bonds (distance) P-C4' energy: -13.512 flat angles C4'-P-C4' energy: -10.205 flat angles P-C4'-P energy: -6.119 tors. eta vs tors. theta energy: -0.083 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: 1, replica: 2 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -205.724402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.724402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.724402 (E_RNA) where: Base-Base interactions energy: -142.962 where: short stacking energy: -61.218 Base-Backbone interact. energy: 0.064 local terms energy: -62.826646 where: bonds (distance) C4'-P energy: -14.423 bonds (distance) P-C4' energy: -11.228 flat angles C4'-P-C4' energy: -11.781 flat angles P-C4'-P energy: -10.160 tors. eta vs tors. theta energy: -15.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -202.090564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.090564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.090564 (E_RNA) where: Base-Base interactions energy: -135.772 where: short stacking energy: -57.529 Base-Backbone interact. energy: -0.001 local terms energy: -66.316884 where: bonds (distance) C4'-P energy: -13.126 bonds (distance) P-C4' energy: -13.958 flat angles C4'-P-C4' energy: -12.024 flat angles P-C4'-P energy: -10.864 tors. eta vs tors. theta energy: -16.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -198.926782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.926782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.926782 (E_RNA) where: Base-Base interactions energy: -135.864 where: short stacking energy: -58.824 Base-Backbone interact. energy: -0.001 local terms energy: -63.061921 where: bonds (distance) C4'-P energy: -12.302 bonds (distance) P-C4' energy: -12.704 flat angles C4'-P-C4' energy: -12.112 flat angles P-C4'-P energy: -8.477 tors. eta vs tors. theta energy: -17.466 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: 60 Temperature: 1.050000 Total energy: -145.938818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.938818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.938818 (E_RNA) where: Base-Base interactions energy: -90.150 where: short stacking energy: -43.485 Base-Backbone interact. energy: -0.286 local terms energy: -55.502259 where: bonds (distance) C4'-P energy: -12.510 bonds (distance) P-C4' energy: -13.522 flat angles C4'-P-C4' energy: -13.262 flat angles P-C4'-P energy: -5.828 tors. eta vs tors. theta energy: -10.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -147.370430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.370430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.370430 (E_RNA) where: Base-Base interactions energy: -86.995 where: short stacking energy: -45.821 Base-Backbone interact. energy: -0.218 local terms energy: -60.157329 where: bonds (distance) C4'-P energy: -13.070 bonds (distance) P-C4' energy: -14.911 flat angles C4'-P-C4' energy: -11.309 flat angles P-C4'-P energy: -6.204 tors. eta vs tors. theta energy: -14.664 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: 5 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -155.449575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.449575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.449575 (E_RNA) where: Base-Base interactions energy: -102.240 where: short stacking energy: -38.024 Base-Backbone interact. energy: -0.078 local terms energy: -53.131471 where: bonds (distance) C4'-P energy: -8.155 bonds (distance) P-C4' energy: -13.396 flat angles C4'-P-C4' energy: -15.443 flat angles P-C4'-P energy: -8.911 tors. eta vs tors. theta energy: -7.227 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: 7 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -74.219907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.219907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.219907 (E_RNA) where: Base-Base interactions energy: -27.372 where: short stacking energy: -23.168 Base-Backbone interact. energy: -0.055 local terms energy: -46.793385 where: bonds (distance) C4'-P energy: -13.488 bonds (distance) P-C4' energy: -9.748 flat angles C4'-P-C4' energy: -4.841 flat angles P-C4'-P energy: -8.686 tors. eta vs tors. theta energy: -10.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -73.314466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.314466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.314466 (E_RNA) where: Base-Base interactions energy: -29.878 where: short stacking energy: -29.878 Base-Backbone interact. energy: -0.011 local terms energy: -43.425593 where: bonds (distance) C4'-P energy: -10.961 bonds (distance) P-C4' energy: -10.545 flat angles C4'-P-C4' energy: -13.859 flat angles P-C4'-P energy: -1.426 tors. eta vs tors. theta energy: -6.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -81.006526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.006526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.006526 (E_RNA) where: Base-Base interactions energy: -34.666 where: short stacking energy: -29.532 Base-Backbone interact. energy: 0.229 local terms energy: -46.569859 where: bonds (distance) C4'-P energy: -12.919 bonds (distance) P-C4' energy: -12.226 flat angles C4'-P-C4' energy: -3.185 flat angles P-C4'-P energy: -7.811 tors. eta vs tors. theta energy: -10.429 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: 3 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -68.334278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.334278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.334278 (E_RNA) where: Base-Base interactions energy: -22.619 where: short stacking energy: -20.700 Base-Backbone interact. energy: -0.019 local terms energy: -45.696512 where: bonds (distance) C4'-P energy: -10.619 bonds (distance) P-C4' energy: -13.304 flat angles C4'-P-C4' energy: -10.069 flat angles P-C4'-P energy: -8.714 tors. eta vs tors. theta energy: -2.990 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: 2 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -206.959984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.959984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.959984 (E_RNA) where: Base-Base interactions energy: -139.518 where: short stacking energy: -60.942 Base-Backbone interact. energy: -0.001 local terms energy: -67.441611 where: bonds (distance) C4'-P energy: -11.756 bonds (distance) P-C4' energy: -13.497 flat angles C4'-P-C4' energy: -14.503 flat angles P-C4'-P energy: -11.025 tors. eta vs tors. theta energy: -16.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -194.151971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.151971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.151971 (E_RNA) where: Base-Base interactions energy: -136.126 where: short stacking energy: -56.535 Base-Backbone interact. energy: -0.112 local terms energy: -57.914299 where: bonds (distance) C4'-P energy: -10.743 bonds (distance) P-C4' energy: -12.380 flat angles C4'-P-C4' energy: -12.826 flat angles P-C4'-P energy: -6.665 tors. eta vs tors. theta energy: -15.300 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: 9 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -198.819339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.819339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.819339 (E_RNA) where: Base-Base interactions energy: -137.937 where: short stacking energy: -58.605 Base-Backbone interact. energy: 0.608 local terms energy: -61.489649 where: bonds (distance) C4'-P energy: -13.801 bonds (distance) P-C4' energy: -9.531 flat angles C4'-P-C4' energy: -11.362 flat angles P-C4'-P energy: -10.785 tors. eta vs tors. theta energy: -16.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -150.417098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.417098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.417098 (E_RNA) where: Base-Base interactions energy: -93.459 where: short stacking energy: -48.429 Base-Backbone interact. energy: -0.449 local terms energy: -56.509521 where: bonds (distance) C4'-P energy: -10.895 bonds (distance) P-C4' energy: -12.617 flat angles C4'-P-C4' energy: -11.985 flat angles P-C4'-P energy: -9.388 tors. eta vs tors. theta energy: -11.625 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: 61 Temperature: 1.100000 Total energy: -146.317450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.317450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.317450 (E_RNA) where: Base-Base interactions energy: -93.714 where: short stacking energy: -45.176 Base-Backbone interact. energy: -1.435 local terms energy: -51.168526 where: bonds (distance) C4'-P energy: -8.104 bonds (distance) P-C4' energy: -12.064 flat angles C4'-P-C4' energy: -12.691 flat angles P-C4'-P energy: -6.296 tors. eta vs tors. theta energy: -12.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -163.693134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.693134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.693134 (E_RNA) where: Base-Base interactions energy: -108.461 where: short stacking energy: -49.949 Base-Backbone interact. energy: -0.033 local terms energy: -55.199074 where: bonds (distance) C4'-P energy: -11.289 bonds (distance) P-C4' energy: -13.158 flat angles C4'-P-C4' energy: -13.044 flat angles P-C4'-P energy: -7.323 tors. eta vs tors. theta energy: -10.384 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: 7, replica: 7 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -76.944587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.944587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.944587 (E_RNA) where: Base-Base interactions energy: -38.898 where: short stacking energy: -31.692 Base-Backbone interact. energy: -0.104 local terms energy: -37.942122 where: bonds (distance) C4'-P energy: -7.597 bonds (distance) P-C4' energy: -9.050 flat angles C4'-P-C4' energy: -10.116 flat angles P-C4'-P energy: -6.746 tors. eta vs tors. theta energy: -4.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -73.035937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.035937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.035937 (E_RNA) where: Base-Base interactions energy: -37.169 where: short stacking energy: -29.072 Base-Backbone interact. energy: 0.798 local terms energy: -36.664422 where: bonds (distance) C4'-P energy: -7.467 bonds (distance) P-C4' energy: -11.302 flat angles C4'-P-C4' energy: -10.525 flat angles P-C4'-P energy: -3.603 tors. eta vs tors. theta energy: -3.767 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: 4 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -74.448418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.448418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.448418 (E_RNA) where: Base-Base interactions energy: -25.926 where: short stacking energy: -25.926 Base-Backbone interact. energy: -0.038 local terms energy: -48.485071 where: bonds (distance) C4'-P energy: -9.505 bonds (distance) P-C4' energy: -14.389 flat angles C4'-P-C4' energy: -8.638 flat angles P-C4'-P energy: -8.754 tors. eta vs tors. theta energy: -7.200 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: 3 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -75.574954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.574954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.574954 (E_RNA) where: Base-Base interactions energy: -35.775 where: short stacking energy: -7.717 Base-Backbone interact. energy: -0.196 local terms energy: -39.604084 where: bonds (distance) C4'-P energy: -10.560 bonds (distance) P-C4' energy: -12.677 flat angles C4'-P-C4' energy: -13.030 flat angles P-C4'-P energy: -7.098 tors. eta vs tors. theta energy: 3.762 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: 6 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -202.534682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.534682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.534682 (E_RNA) where: Base-Base interactions energy: -138.826 where: short stacking energy: -62.248 Base-Backbone interact. energy: -0.006 local terms energy: -63.702923 where: bonds (distance) C4'-P energy: -13.073 bonds (distance) P-C4' energy: -13.631 flat angles C4'-P-C4' energy: -11.264 flat angles P-C4'-P energy: -8.524 tors. eta vs tors. theta energy: -17.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -202.112064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.112064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.112064 (E_RNA) where: Base-Base interactions energy: -144.680 where: short stacking energy: -61.790 Base-Backbone interact. energy: 0.894 local terms energy: -58.326579 where: bonds (distance) C4'-P energy: -12.362 bonds (distance) P-C4' energy: -11.341 flat angles C4'-P-C4' energy: -11.618 flat angles P-C4'-P energy: -7.806 tors. eta vs tors. theta energy: -15.200 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: 3, replica: 9 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -195.481435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.481435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.481435 (E_RNA) where: Base-Base interactions energy: -130.725 where: short stacking energy: -55.585 Base-Backbone interact. energy: -0.213 local terms energy: -64.543389 where: bonds (distance) C4'-P energy: -13.719 bonds (distance) P-C4' energy: -13.113 flat angles C4'-P-C4' energy: -14.135 flat angles P-C4'-P energy: -8.136 tors. eta vs tors. theta energy: -15.440 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: 1 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -145.743108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.743108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.743108 (E_RNA) where: Base-Base interactions energy: -96.285 where: short stacking energy: -44.523 Base-Backbone interact. energy: -0.005 local terms energy: -49.453155 where: bonds (distance) C4'-P energy: -5.560 bonds (distance) P-C4' energy: -13.821 flat angles C4'-P-C4' energy: -12.800 flat angles P-C4'-P energy: -6.498 tors. eta vs tors. theta energy: -10.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -190.586292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.586292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.586292 (E_RNA) where: Base-Base interactions energy: -135.216 where: short stacking energy: -58.979 Base-Backbone interact. energy: -0.174 local terms energy: -55.196808 where: bonds (distance) C4'-P energy: -11.881 bonds (distance) P-C4' energy: -8.158 flat angles C4'-P-C4' energy: -8.849 flat angles P-C4'-P energy: -10.453 tors. eta vs tors. theta energy: -15.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -139.961573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.961573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.961573 (E_RNA) where: Base-Base interactions energy: -86.104 where: short stacking energy: -36.057 Base-Backbone interact. energy: -0.042 local terms energy: -53.815534 where: bonds (distance) C4'-P energy: -11.946 bonds (distance) P-C4' energy: -13.473 flat angles C4'-P-C4' energy: -10.980 flat angles P-C4'-P energy: -9.640 tors. eta vs tors. theta energy: -7.776 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: 62 Temperature: 1.200000 Total energy: -74.268114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.268114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.268114 (E_RNA) where: Base-Base interactions energy: -31.644 where: short stacking energy: -24.744 Base-Backbone interact. energy: 1.234 local terms energy: -43.858656 where: bonds (distance) C4'-P energy: -12.175 bonds (distance) P-C4' energy: -12.730 flat angles C4'-P-C4' energy: -11.172 flat angles P-C4'-P energy: -8.157 tors. eta vs tors. theta energy: 0.375 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: 10 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -80.605473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.605473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.605473 (E_RNA) where: Base-Base interactions energy: -39.395 where: short stacking energy: -26.468 Base-Backbone interact. energy: -0.006 local terms energy: -41.204461 where: bonds (distance) C4'-P energy: -10.072 bonds (distance) P-C4' energy: -9.492 flat angles C4'-P-C4' energy: -8.386 flat angles P-C4'-P energy: -7.680 tors. eta vs tors. theta energy: -5.575 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: 62 Temperature: 1.300000 Total energy: -67.760269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.760269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.760269 (E_RNA) where: Base-Base interactions energy: -24.124 where: short stacking energy: -24.124 Base-Backbone interact. energy: -0.090 local terms energy: -43.546563 where: bonds (distance) C4'-P energy: -10.640 bonds (distance) P-C4' energy: -9.686 flat angles C4'-P-C4' energy: -7.256 flat angles P-C4'-P energy: -8.717 tors. eta vs tors. theta energy: -7.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -65.157967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.157967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.157967 (E_RNA) where: Base-Base interactions energy: -26.537 where: short stacking energy: -16.198 Base-Backbone interact. energy: 0.737 local terms energy: -39.357131 where: bonds (distance) C4'-P energy: -12.568 bonds (distance) P-C4' energy: -9.914 flat angles C4'-P-C4' energy: -9.915 flat angles P-C4'-P energy: -5.634 tors. eta vs tors. theta energy: -1.326 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: 1, replica: 6 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -207.451235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.451235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.451235 (E_RNA) where: Base-Base interactions energy: -143.481 where: short stacking energy: -60.086 Base-Backbone interact. energy: -0.006 local terms energy: -63.964130 where: bonds (distance) C4'-P energy: -12.696 bonds (distance) P-C4' energy: -12.435 flat angles C4'-P-C4' energy: -11.349 flat angles P-C4'-P energy: -10.754 tors. eta vs tors. theta energy: -16.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -203.632232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.632232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.632232 (E_RNA) where: Base-Base interactions energy: -138.065 where: short stacking energy: -58.960 Base-Backbone interact. energy: -0.000 local terms energy: -65.567129 where: bonds (distance) C4'-P energy: -12.928 bonds (distance) P-C4' energy: -12.840 flat angles C4'-P-C4' energy: -14.327 flat angles P-C4'-P energy: -12.008 tors. eta vs tors. theta energy: -13.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -199.760043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.760043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.760043 (E_RNA) where: Base-Base interactions energy: -137.799 where: short stacking energy: -60.860 Base-Backbone interact. energy: -0.312 local terms energy: -61.648870 where: bonds (distance) C4'-P energy: -12.547 bonds (distance) P-C4' energy: -10.794 flat angles C4'-P-C4' energy: -12.838 flat angles P-C4'-P energy: -8.545 tors. eta vs tors. theta energy: -16.926 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: 5 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -191.361583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.361583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.361583 (E_RNA) where: Base-Base interactions energy: -137.421 where: short stacking energy: -59.464 Base-Backbone interact. energy: 0.934 local terms energy: -54.874868 where: bonds (distance) C4'-P energy: -9.980 bonds (distance) P-C4' energy: -12.239 flat angles C4'-P-C4' energy: -12.181 flat angles P-C4'-P energy: -6.780 tors. eta vs tors. theta energy: -13.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -143.833324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.833324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.833324 (E_RNA) where: Base-Base interactions energy: -91.289 where: short stacking energy: -42.638 Base-Backbone interact. energy: -0.302 local terms energy: -52.242204 where: bonds (distance) C4'-P energy: -11.019 bonds (distance) P-C4' energy: -13.871 flat angles C4'-P-C4' energy: -10.607 flat angles P-C4'-P energy: -7.490 tors. eta vs tors. theta energy: -9.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -87.610117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.610117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.610117 (E_RNA) where: Base-Base interactions energy: -48.269 where: short stacking energy: -23.733 Base-Backbone interact. energy: 0.326 local terms energy: -39.667194 where: bonds (distance) C4'-P energy: -7.965 bonds (distance) P-C4' energy: -11.907 flat angles C4'-P-C4' energy: -9.103 flat angles P-C4'-P energy: -5.468 tors. eta vs tors. theta energy: -5.224 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: 8 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -125.913961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.913961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.913961 (E_RNA) where: Base-Base interactions energy: -74.327 where: short stacking energy: -35.738 Base-Backbone interact. energy: -0.319 local terms energy: -51.268284 where: bonds (distance) C4'-P energy: -11.918 bonds (distance) P-C4' energy: -12.647 flat angles C4'-P-C4' energy: -9.937 flat angles P-C4'-P energy: -8.021 tors. eta vs tors. theta energy: -8.745 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: 4 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -65.541410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.541410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.541410 (E_RNA) where: Base-Base interactions energy: -22.252 where: short stacking energy: -20.932 Base-Backbone interact. energy: -0.241 local terms energy: -43.048352 where: bonds (distance) C4'-P energy: -10.134 bonds (distance) P-C4' energy: -10.811 flat angles C4'-P-C4' energy: -11.160 flat angles P-C4'-P energy: -8.926 tors. eta vs tors. theta energy: -2.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -86.086277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.086277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.086277 (E_RNA) where: Base-Base interactions energy: -42.503 where: short stacking energy: -29.002 Base-Backbone interact. energy: -0.298 local terms energy: -43.285652 where: bonds (distance) C4'-P energy: -13.834 bonds (distance) P-C4' energy: -11.947 flat angles C4'-P-C4' energy: -7.939 flat angles P-C4'-P energy: -6.659 tors. eta vs tors. theta energy: -2.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -69.132594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.132594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.132594 (E_RNA) where: Base-Base interactions energy: -28.463 where: short stacking energy: -28.463 Base-Backbone interact. energy: 0.426 local terms energy: -41.095091 where: bonds (distance) C4'-P energy: -10.228 bonds (distance) P-C4' energy: -11.591 flat angles C4'-P-C4' energy: -14.136 flat angles P-C4'-P energy: -2.183 tors. eta vs tors. theta energy: -2.957 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: 6 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -202.845270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.845270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.845270 (E_RNA) where: Base-Base interactions energy: -130.134 where: short stacking energy: -56.094 Base-Backbone interact. energy: -0.000 local terms energy: -72.710500 where: bonds (distance) C4'-P energy: -13.143 bonds (distance) P-C4' energy: -15.150 flat angles C4'-P-C4' energy: -15.574 flat angles P-C4'-P energy: -11.491 tors. eta vs tors. theta energy: -17.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -202.019686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.019686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.019686 (E_RNA) where: Base-Base interactions energy: -143.169 where: short stacking energy: -59.109 Base-Backbone interact. energy: -0.013 local terms energy: -58.837737 where: bonds (distance) C4'-P energy: -11.411 bonds (distance) P-C4' energy: -11.927 flat angles C4'-P-C4' energy: -12.577 flat angles P-C4'-P energy: -5.572 tors. eta vs tors. theta energy: -17.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -197.090333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.090333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.090333 (E_RNA) where: Base-Base interactions energy: -140.322 where: short stacking energy: -55.621 Base-Backbone interact. energy: -0.117 local terms energy: -56.651066 where: bonds (distance) C4'-P energy: -10.568 bonds (distance) P-C4' energy: -11.753 flat angles C4'-P-C4' energy: -10.810 flat angles P-C4'-P energy: -6.532 tors. eta vs tors. theta energy: -16.987 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: 9 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -194.835844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.835844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.835844 (E_RNA) where: Base-Base interactions energy: -135.605 where: short stacking energy: -59.410 Base-Backbone interact. energy: -0.003 local terms energy: -59.227365 where: bonds (distance) C4'-P energy: -10.403 bonds (distance) P-C4' energy: -10.372 flat angles C4'-P-C4' energy: -13.789 flat angles P-C4'-P energy: -9.017 tors. eta vs tors. theta energy: -15.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -91.771519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.771519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.771519 (E_RNA) where: Base-Base interactions energy: -43.762 where: short stacking energy: -39.734 Base-Backbone interact. energy: -0.038 local terms energy: -47.971722 where: bonds (distance) C4'-P energy: -12.200 bonds (distance) P-C4' energy: -13.275 flat angles C4'-P-C4' energy: -10.198 flat angles P-C4'-P energy: -7.615 tors. eta vs tors. theta energy: -4.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -127.261834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.261834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.261834 (E_RNA) where: Base-Base interactions energy: -76.784 where: short stacking energy: -36.273 Base-Backbone interact. energy: -0.004 local terms energy: -50.473461 where: bonds (distance) C4'-P energy: -10.787 bonds (distance) P-C4' energy: -13.662 flat angles C4'-P-C4' energy: -12.505 flat angles P-C4'-P energy: -4.864 tors. eta vs tors. theta energy: -8.655 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: 8 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -120.933111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.933111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.933111 (E_RNA) where: Base-Base interactions energy: -72.618 where: short stacking energy: -34.919 Base-Backbone interact. energy: 3.136 local terms energy: -51.451183 where: bonds (distance) C4'-P energy: -11.834 bonds (distance) P-C4' energy: -13.994 flat angles C4'-P-C4' energy: -12.020 flat angles P-C4'-P energy: -6.680 tors. eta vs tors. theta energy: -6.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -58.277455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.277455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.277455 (E_RNA) where: Base-Base interactions energy: -15.113 where: short stacking energy: -12.440 Base-Backbone interact. energy: -0.087 local terms energy: -43.077878 where: bonds (distance) C4'-P energy: -8.242 bonds (distance) P-C4' energy: -11.312 flat angles C4'-P-C4' energy: -14.086 flat angles P-C4'-P energy: -6.505 tors. eta vs tors. theta energy: -2.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -77.688123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.688123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.688123 (E_RNA) where: Base-Base interactions energy: -32.868 where: short stacking energy: -23.101 Base-Backbone interact. energy: -0.105 local terms energy: -44.714278 where: bonds (distance) C4'-P energy: -12.956 bonds (distance) P-C4' energy: -10.119 flat angles C4'-P-C4' energy: -7.447 flat angles P-C4'-P energy: -7.918 tors. eta vs tors. theta energy: -6.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -64.403800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.403800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.403800 (E_RNA) where: Base-Base interactions energy: -20.103 where: short stacking energy: -16.486 Base-Backbone interact. energy: -0.005 local terms energy: -44.295915 where: bonds (distance) C4'-P energy: -10.576 bonds (distance) P-C4' energy: -12.511 flat angles C4'-P-C4' energy: -11.309 flat angles P-C4'-P energy: -7.736 tors. eta vs tors. theta energy: -2.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -207.131148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.131148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.131148 (E_RNA) where: Base-Base interactions energy: -141.547 where: short stacking energy: -58.162 Base-Backbone interact. energy: -0.001 local terms energy: -65.582913 where: bonds (distance) C4'-P energy: -13.872 bonds (distance) P-C4' energy: -12.849 flat angles C4'-P-C4' energy: -12.730 flat angles P-C4'-P energy: -8.707 tors. eta vs tors. theta energy: -17.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -203.462090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.462090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.462090 (E_RNA) where: Base-Base interactions energy: -138.126 where: short stacking energy: -56.399 Base-Backbone interact. energy: -0.006 local terms energy: -65.330710 where: bonds (distance) C4'-P energy: -13.354 bonds (distance) P-C4' energy: -15.147 flat angles C4'-P-C4' energy: -14.820 flat angles P-C4'-P energy: -7.550 tors. eta vs tors. theta energy: -14.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -196.219479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.219479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.219479 (E_RNA) where: Base-Base interactions energy: -132.691 where: short stacking energy: -58.003 Base-Backbone interact. energy: -0.000 local terms energy: -63.527755 where: bonds (distance) C4'-P energy: -11.077 bonds (distance) P-C4' energy: -14.653 flat angles C4'-P-C4' energy: -12.731 flat angles P-C4'-P energy: -9.029 tors. eta vs tors. theta energy: -16.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -186.359000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.359000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.359000 (E_RNA) where: Base-Base interactions energy: -130.291 where: short stacking energy: -38.676 Base-Backbone interact. energy: -0.240 local terms energy: -55.828550 where: bonds (distance) C4'-P energy: -9.434 bonds (distance) P-C4' energy: -13.476 flat angles C4'-P-C4' energy: -12.266 flat angles P-C4'-P energy: -10.855 tors. eta vs tors. theta energy: -9.798 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: 7 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -95.865591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.865591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.865591 (E_RNA) where: Base-Base interactions energy: -57.057 where: short stacking energy: -17.605 Base-Backbone interact. energy: 1.636 local terms energy: -40.444219 where: bonds (distance) C4'-P energy: -9.715 bonds (distance) P-C4' energy: -7.126 flat angles C4'-P-C4' energy: -11.512 flat angles P-C4'-P energy: -8.733 tors. eta vs tors. theta energy: -3.357 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: 6, replica: 8 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -128.838704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.838704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.838704 (E_RNA) where: Base-Base interactions energy: -77.102 where: short stacking energy: -37.650 Base-Backbone interact. energy: -0.488 local terms energy: -51.248205 where: bonds (distance) C4'-P energy: -14.608 bonds (distance) P-C4' energy: -12.708 flat angles C4'-P-C4' energy: -12.062 flat angles P-C4'-P energy: -2.575 tors. eta vs tors. theta energy: -9.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -126.779893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.779893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.779893 (E_RNA) where: Base-Base interactions energy: -83.074 where: short stacking energy: -41.941 Base-Backbone interact. energy: 0.933 local terms energy: -44.638460 where: bonds (distance) C4'-P energy: -8.649 bonds (distance) P-C4' energy: -10.383 flat angles C4'-P-C4' energy: -8.674 flat angles P-C4'-P energy: -6.070 tors. eta vs tors. theta energy: -10.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -71.036736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.036736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.036736 (E_RNA) where: Base-Base interactions energy: -30.774 where: short stacking energy: -30.774 Base-Backbone interact. energy: -0.282 local terms energy: -39.980387 where: bonds (distance) C4'-P energy: -12.833 bonds (distance) P-C4' energy: -8.959 flat angles C4'-P-C4' energy: -10.016 flat angles P-C4'-P energy: -6.009 tors. eta vs tors. theta energy: -2.164 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: 9, replica: 10 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -73.720426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.720426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.720426 (E_RNA) where: Base-Base interactions energy: -29.808 where: short stacking energy: -29.808 Base-Backbone interact. energy: -0.122 local terms energy: -43.790421 where: bonds (distance) C4'-P energy: -9.235 bonds (distance) P-C4' energy: -14.613 flat angles C4'-P-C4' energy: -7.662 flat angles P-C4'-P energy: -6.527 tors. eta vs tors. theta energy: -5.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -65.287672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.287672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.287672 (E_RNA) where: Base-Base interactions energy: -25.806 where: short stacking energy: -25.806 Base-Backbone interact. energy: 0.185 local terms energy: -39.665976 where: bonds (distance) C4'-P energy: -5.964 bonds (distance) P-C4' energy: -13.951 flat angles C4'-P-C4' energy: -10.448 flat angles P-C4'-P energy: -7.243 tors. eta vs tors. theta energy: -2.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -202.217264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.217264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.217264 (E_RNA) where: Base-Base interactions energy: -134.401 where: short stacking energy: -59.353 Base-Backbone interact. energy: -0.100 local terms energy: -67.716252 where: bonds (distance) C4'-P energy: -14.741 bonds (distance) P-C4' energy: -13.762 flat angles C4'-P-C4' energy: -14.821 flat angles P-C4'-P energy: -6.988 tors. eta vs tors. theta energy: -17.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -201.128505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.128505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.128505 (E_RNA) where: Base-Base interactions energy: -139.147 where: short stacking energy: -58.269 Base-Backbone interact. energy: -0.094 local terms energy: -61.886647 where: bonds (distance) C4'-P energy: -13.222 bonds (distance) P-C4' energy: -12.398 flat angles C4'-P-C4' energy: -11.973 flat angles P-C4'-P energy: -7.704 tors. eta vs tors. theta energy: -16.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -194.470533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.470533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.470533 (E_RNA) where: Base-Base interactions energy: -133.584 where: short stacking energy: -54.565 Base-Backbone interact. energy: -0.105 local terms energy: -60.781074 where: bonds (distance) C4'-P energy: -10.266 bonds (distance) P-C4' energy: -13.515 flat angles C4'-P-C4' energy: -12.807 flat angles P-C4'-P energy: -7.498 tors. eta vs tors. theta energy: -16.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -195.866694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.866694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.866694 (E_RNA) where: Base-Base interactions energy: -133.650 where: short stacking energy: -58.824 Base-Backbone interact. energy: -0.122 local terms energy: -62.094450 where: bonds (distance) C4'-P energy: -9.820 bonds (distance) P-C4' energy: -13.864 flat angles C4'-P-C4' energy: -14.377 flat angles P-C4'-P energy: -5.824 tors. eta vs tors. theta energy: -18.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -131.537791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.537791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.537791 (E_RNA) where: Base-Base interactions energy: -74.605 where: short stacking energy: -38.122 Base-Backbone interact. energy: -0.668 local terms energy: -56.264535 where: bonds (distance) C4'-P energy: -14.154 bonds (distance) P-C4' energy: -9.878 flat angles C4'-P-C4' energy: -11.067 flat angles P-C4'-P energy: -10.199 tors. eta vs tors. theta energy: -10.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -167.619872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.619872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.619872 (E_RNA) where: Base-Base interactions energy: -129.767 where: short stacking energy: -49.520 Base-Backbone interact. energy: -0.113 local terms energy: -37.739692 where: bonds (distance) C4'-P energy: -8.269 bonds (distance) P-C4' energy: -12.472 flat angles C4'-P-C4' energy: -9.734 flat angles P-C4'-P energy: -0.865 tors. eta vs tors. theta energy: -6.399 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: 1 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -126.372893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.372893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.372893 (E_RNA) where: Base-Base interactions energy: -79.732 where: short stacking energy: -31.884 Base-Backbone interact. energy: 1.254 local terms energy: -47.895032 where: bonds (distance) C4'-P energy: -10.476 bonds (distance) P-C4' energy: -12.097 flat angles C4'-P-C4' energy: -9.847 flat angles P-C4'-P energy: -7.442 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: 8, replica: 4 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -72.834557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.834557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.834557 (E_RNA) where: Base-Base interactions energy: -29.984 where: short stacking energy: -15.933 Base-Backbone interact. energy: 1.321 local terms energy: -44.171261 where: bonds (distance) C4'-P energy: -13.197 bonds (distance) P-C4' energy: -12.361 flat angles C4'-P-C4' energy: -12.426 flat angles P-C4'-P energy: -6.098 tors. eta vs tors. theta energy: -0.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -67.733289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.733289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.733289 (E_RNA) where: Base-Base interactions energy: -25.137 where: short stacking energy: -14.602 Base-Backbone interact. energy: -0.078 local terms energy: -42.518079 where: bonds (distance) C4'-P energy: -13.400 bonds (distance) P-C4' energy: -11.791 flat angles C4'-P-C4' energy: -6.826 flat angles P-C4'-P energy: -9.070 tors. eta vs tors. theta energy: -1.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -66.858096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.858096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.858096 (E_RNA) where: Base-Base interactions energy: -33.872 where: short stacking energy: -26.119 Base-Backbone interact. energy: -0.327 local terms energy: -32.658852 where: bonds (distance) C4'-P energy: -9.514 bonds (distance) P-C4' energy: -8.764 flat angles C4'-P-C4' energy: -8.768 flat angles P-C4'-P energy: -6.402 tors. eta vs tors. theta energy: 0.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -196.706801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.706801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.706801 (E_RNA) where: Base-Base interactions energy: -133.343 where: short stacking energy: -56.795 Base-Backbone interact. energy: -0.030 local terms energy: -63.333889 where: bonds (distance) C4'-P energy: -9.311 bonds (distance) P-C4' energy: -13.573 flat angles C4'-P-C4' energy: -14.787 flat angles P-C4'-P energy: -9.666 tors. eta vs tors. theta energy: -15.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -203.337752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.337752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.337752 (E_RNA) where: Base-Base interactions energy: -144.104 where: short stacking energy: -62.162 Base-Backbone interact. energy: 1.780 local terms energy: -61.013562 where: bonds (distance) C4'-P energy: -14.575 bonds (distance) P-C4' energy: -11.026 flat angles C4'-P-C4' energy: -13.513 flat angles P-C4'-P energy: -4.857 tors. eta vs tors. theta energy: -17.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -185.586102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.586102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.586102 (E_RNA) where: Base-Base interactions energy: -123.807 where: short stacking energy: -51.631 Base-Backbone interact. energy: -0.370 local terms energy: -61.409463 where: bonds (distance) C4'-P energy: -12.191 bonds (distance) P-C4' energy: -13.045 flat angles C4'-P-C4' energy: -12.256 flat angles P-C4'-P energy: -8.038 tors. eta vs tors. theta energy: -15.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -202.314526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.314526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.314526 (E_RNA) where: Base-Base interactions energy: -139.551 where: short stacking energy: -62.052 Base-Backbone interact. energy: -0.002 local terms energy: -62.761345 where: bonds (distance) C4'-P energy: -12.833 bonds (distance) P-C4' energy: -8.539 flat angles C4'-P-C4' energy: -14.918 flat angles P-C4'-P energy: -9.465 tors. eta vs tors. theta energy: -17.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -135.311842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.311842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.311842 (E_RNA) where: Base-Base interactions energy: -84.118 where: short stacking energy: -42.360 Base-Backbone interact. energy: -0.055 local terms energy: -51.138675 where: bonds (distance) C4'-P energy: -9.893 bonds (distance) P-C4' energy: -8.442 flat angles C4'-P-C4' energy: -13.779 flat angles P-C4'-P energy: -8.235 tors. eta vs tors. theta energy: -10.789 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: 67 Temperature: 1.150000 Total energy: -179.864405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.864405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.864405 (E_RNA) where: Base-Base interactions energy: -122.097 where: short stacking energy: -45.477 Base-Backbone interact. energy: -0.002 local terms energy: -57.764679 where: bonds (distance) C4'-P energy: -12.187 bonds (distance) P-C4' energy: -12.131 flat angles C4'-P-C4' energy: -10.270 flat angles P-C4'-P energy: -8.308 tors. eta vs tors. theta energy: -14.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -90.946018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.946018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.946018 (E_RNA) where: Base-Base interactions energy: -54.059 where: short stacking energy: -20.096 Base-Backbone interact. energy: -0.186 local terms energy: -36.700876 where: bonds (distance) C4'-P energy: -10.494 bonds (distance) P-C4' energy: -9.305 flat angles C4'-P-C4' energy: -10.310 flat angles P-C4'-P energy: -4.629 tors. eta vs tors. theta energy: -1.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -69.112170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.112170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.112170 (E_RNA) where: Base-Base interactions energy: -30.140 where: short stacking energy: -27.989 Base-Backbone interact. energy: -0.055 local terms energy: -38.916750 where: bonds (distance) C4'-P energy: -9.476 bonds (distance) P-C4' energy: -14.643 flat angles C4'-P-C4' energy: -11.639 flat angles P-C4'-P energy: -1.856 tors. eta vs tors. theta energy: -1.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -78.456148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.456148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.456148 (E_RNA) where: Base-Base interactions energy: -35.884 where: short stacking energy: -25.864 Base-Backbone interact. energy: -0.150 local terms energy: -42.422844 where: bonds (distance) C4'-P energy: -12.235 bonds (distance) P-C4' energy: -10.856 flat angles C4'-P-C4' energy: -11.040 flat angles P-C4'-P energy: -6.449 tors. eta vs tors. theta energy: -1.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -63.738999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.738999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.738999 (E_RNA) where: Base-Base interactions energy: -20.979 where: short stacking energy: -20.126 Base-Backbone interact. energy: -0.094 local terms energy: -42.666212 where: bonds (distance) C4'-P energy: -8.986 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -11.530 flat angles P-C4'-P energy: -7.437 tors. eta vs tors. theta energy: -5.159 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: 1, replica: 6 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -204.748062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.748062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.748062 (E_RNA) where: Base-Base interactions energy: -140.660 where: short stacking energy: -61.665 Base-Backbone interact. energy: -0.711 local terms energy: -63.377179 where: bonds (distance) C4'-P energy: -11.571 bonds (distance) P-C4' energy: -13.236 flat angles C4'-P-C4' energy: -13.189 flat angles P-C4'-P energy: -9.203 tors. eta vs tors. theta energy: -16.179 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: 2, replica: 5 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -194.315675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.315675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.315675 (E_RNA) where: Base-Base interactions energy: -130.718 where: short stacking energy: -51.228 Base-Backbone interact. energy: -0.061 local terms energy: -63.536760 where: bonds (distance) C4'-P energy: -12.481 bonds (distance) P-C4' energy: -12.297 flat angles C4'-P-C4' energy: -14.665 flat angles P-C4'-P energy: -9.723 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: 3, replica: 9 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -200.827354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.827354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.827354 (E_RNA) where: Base-Base interactions energy: -135.224 where: short stacking energy: -59.636 Base-Backbone interact. energy: -0.002 local terms energy: -65.601329 where: bonds (distance) C4'-P energy: -12.411 bonds (distance) P-C4' energy: -14.152 flat angles C4'-P-C4' energy: -14.515 flat angles P-C4'-P energy: -8.362 tors. eta vs tors. theta energy: -16.161 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: 2 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -175.020593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.020593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.020593 (E_RNA) where: Base-Base interactions energy: -116.089 where: short stacking energy: -45.368 Base-Backbone interact. energy: 0.088 local terms energy: -59.019092 where: bonds (distance) C4'-P energy: -10.688 bonds (distance) P-C4' energy: -12.755 flat angles C4'-P-C4' energy: -13.552 flat angles P-C4'-P energy: -11.506 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: 5, replica: 7 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -185.019410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.019410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.019410 (E_RNA) where: Base-Base interactions energy: -126.846 where: short stacking energy: -51.769 Base-Backbone interact. energy: -0.096 local terms energy: -58.077436 where: bonds (distance) C4'-P energy: -13.242 bonds (distance) P-C4' energy: -11.417 flat angles C4'-P-C4' energy: -12.922 flat angles P-C4'-P energy: -6.723 tors. eta vs tors. theta energy: -13.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -135.343535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.343535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.343535 (E_RNA) where: Base-Base interactions energy: -83.980 where: short stacking energy: -39.553 Base-Backbone interact. energy: -0.006 local terms energy: -51.357745 where: bonds (distance) C4'-P energy: -11.976 bonds (distance) P-C4' energy: -10.899 flat angles C4'-P-C4' energy: -11.377 flat angles P-C4'-P energy: -6.075 tors. eta vs tors. theta energy: -11.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -78.486084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.486084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.486084 (E_RNA) where: Base-Base interactions energy: -32.908 where: short stacking energy: -23.966 Base-Backbone interact. energy: -0.081 local terms energy: -45.497278 where: bonds (distance) C4'-P energy: -11.755 bonds (distance) P-C4' energy: -12.825 flat angles C4'-P-C4' energy: -10.860 flat angles P-C4'-P energy: -6.533 tors. eta vs tors. theta energy: -3.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -73.459133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.459133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.459133 (E_RNA) where: Base-Base interactions energy: -34.353 where: short stacking energy: -21.193 Base-Backbone interact. energy: 0.302 local terms energy: -39.408357 where: bonds (distance) C4'-P energy: -10.925 bonds (distance) P-C4' energy: -8.982 flat angles C4'-P-C4' energy: -8.817 flat angles P-C4'-P energy: -7.667 tors. eta vs tors. theta energy: -3.018 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: 10 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -77.635142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.635142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.635142 (E_RNA) where: Base-Base interactions energy: -36.035 where: short stacking energy: -36.035 Base-Backbone interact. energy: -0.000 local terms energy: -41.599640 where: bonds (distance) C4'-P energy: -9.731 bonds (distance) P-C4' energy: -5.797 flat angles C4'-P-C4' energy: -10.788 flat angles P-C4'-P energy: -7.955 tors. eta vs tors. theta energy: -7.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -55.978373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.978373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.978373 (E_RNA) where: Base-Base interactions energy: -25.067 where: short stacking energy: -6.998 Base-Backbone interact. energy: -0.069 local terms energy: -30.842846 where: bonds (distance) C4'-P energy: -15.043 bonds (distance) P-C4' energy: -9.666 flat angles C4'-P-C4' energy: -2.938 flat angles P-C4'-P energy: -6.151 tors. eta vs tors. theta energy: 2.954 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: 6 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -202.829475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.829475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.829475 (E_RNA) where: Base-Base interactions energy: -140.648 where: short stacking energy: -63.706 Base-Backbone interact. energy: 1.081 local terms energy: -63.261993 where: bonds (distance) C4'-P energy: -14.546 bonds (distance) P-C4' energy: -13.681 flat angles C4'-P-C4' energy: -13.351 flat angles P-C4'-P energy: -6.887 tors. eta vs tors. theta energy: -14.797 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: 9 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -199.288252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.288252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.288252 (E_RNA) where: Base-Base interactions energy: -137.025 where: short stacking energy: -59.132 Base-Backbone interact. energy: -0.000 local terms energy: -62.263320 where: bonds (distance) C4'-P energy: -9.972 bonds (distance) P-C4' energy: -14.321 flat angles C4'-P-C4' energy: -14.305 flat angles P-C4'-P energy: -6.370 tors. eta vs tors. theta energy: -17.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -189.836423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.836423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.836423 (E_RNA) where: Base-Base interactions energy: -133.395 where: short stacking energy: -51.978 Base-Backbone interact. energy: -0.055 local terms energy: -56.385606 where: bonds (distance) C4'-P energy: -12.270 bonds (distance) P-C4' energy: -11.200 flat angles C4'-P-C4' energy: -11.276 flat angles P-C4'-P energy: -7.305 tors. eta vs tors. theta energy: -14.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -182.291627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.291627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.291627 (E_RNA) where: Base-Base interactions energy: -129.410 where: short stacking energy: -52.600 Base-Backbone interact. energy: -0.392 local terms energy: -52.489590 where: bonds (distance) C4'-P energy: -10.361 bonds (distance) P-C4' energy: -13.299 flat angles C4'-P-C4' energy: -9.528 flat angles P-C4'-P energy: -6.556 tors. eta vs tors. theta energy: -12.745 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: 2 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -174.841432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.841432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.841432 (E_RNA) where: Base-Base interactions energy: -123.374 where: short stacking energy: -51.439 Base-Backbone interact. energy: -0.001 local terms energy: -51.466122 where: bonds (distance) C4'-P energy: -11.388 bonds (distance) P-C4' energy: -11.418 flat angles C4'-P-C4' energy: -11.783 flat angles P-C4'-P energy: -3.266 tors. eta vs tors. theta energy: -13.612 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: 8 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -142.797711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.797711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.797711 (E_RNA) where: Base-Base interactions energy: -89.687 where: short stacking energy: -49.452 Base-Backbone interact. energy: -0.071 local terms energy: -53.039426 where: bonds (distance) C4'-P energy: -9.529 bonds (distance) P-C4' energy: -13.793 flat angles C4'-P-C4' energy: -12.256 flat angles P-C4'-P energy: -9.040 tors. eta vs tors. theta energy: -8.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -97.820686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.820686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.820686 (E_RNA) where: Base-Base interactions energy: -58.271 where: short stacking energy: -26.600 Base-Backbone interact. energy: -0.049 local terms energy: -39.499946 where: bonds (distance) C4'-P energy: -9.488 bonds (distance) P-C4' energy: -12.107 flat angles C4'-P-C4' energy: -11.732 flat angles P-C4'-P energy: -6.702 tors. eta vs tors. theta energy: 0.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -67.364367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.364367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.364367 (E_RNA) where: Base-Base interactions energy: -24.480 where: short stacking energy: -24.480 Base-Backbone interact. energy: -0.309 local terms energy: -42.575651 where: bonds (distance) C4'-P energy: -13.018 bonds (distance) P-C4' energy: -13.737 flat angles C4'-P-C4' energy: -12.312 flat angles P-C4'-P energy: -1.045 tors. eta vs tors. theta energy: -2.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -69.879016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.879016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.879016 (E_RNA) where: Base-Base interactions energy: -19.170 where: short stacking energy: -14.197 Base-Backbone interact. energy: -0.058 local terms energy: -50.651034 where: bonds (distance) C4'-P energy: -13.718 bonds (distance) P-C4' energy: -12.095 flat angles C4'-P-C4' energy: -11.577 flat angles P-C4'-P energy: -10.942 tors. eta vs tors. theta energy: -2.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -68.012433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.012433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.012433 (E_RNA) where: Base-Base interactions energy: -27.007 where: short stacking energy: -22.029 Base-Backbone interact. energy: -0.089 local terms energy: -40.916698 where: bonds (distance) C4'-P energy: -12.878 bonds (distance) P-C4' energy: -9.755 flat angles C4'-P-C4' energy: -10.716 flat angles P-C4'-P energy: -5.833 tors. eta vs tors. theta energy: -1.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -207.470764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.470764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.470764 (E_RNA) where: Base-Base interactions energy: -142.010 where: short stacking energy: -62.140 Base-Backbone interact. energy: -0.005 local terms energy: -65.455731 where: bonds (distance) C4'-P energy: -12.286 bonds (distance) P-C4' energy: -13.314 flat angles C4'-P-C4' energy: -13.369 flat angles P-C4'-P energy: -9.192 tors. eta vs tors. theta energy: -17.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -193.069530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.069530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.069530 (E_RNA) where: Base-Base interactions energy: -129.801 where: short stacking energy: -57.363 Base-Backbone interact. energy: -0.007 local terms energy: -63.261220 where: bonds (distance) C4'-P energy: -10.249 bonds (distance) P-C4' energy: -13.046 flat angles C4'-P-C4' energy: -14.249 flat angles P-C4'-P energy: -9.568 tors. eta vs tors. theta energy: -16.148 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: 3, replica: 7 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -196.032536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.032536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.032536 (E_RNA) where: Base-Base interactions energy: -134.444 where: short stacking energy: -54.723 Base-Backbone interact. energy: -0.072 local terms energy: -61.516362 where: bonds (distance) C4'-P energy: -11.416 bonds (distance) P-C4' energy: -13.565 flat angles C4'-P-C4' energy: -13.448 flat angles P-C4'-P energy: -8.531 tors. eta vs tors. theta energy: -14.556 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: 4, replica: 5 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -192.726230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.726230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.726230 (E_RNA) where: Base-Base interactions energy: -138.361 where: short stacking energy: -56.916 Base-Backbone interact. energy: -0.174 local terms energy: -54.191454 where: bonds (distance) C4'-P energy: -12.315 bonds (distance) P-C4' energy: -11.478 flat angles C4'-P-C4' energy: -13.141 flat angles P-C4'-P energy: -4.831 tors. eta vs tors. theta energy: -12.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -137.122446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.122446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.122446 (E_RNA) where: Base-Base interactions energy: -81.136 where: short stacking energy: -51.557 Base-Backbone interact. energy: -0.007 local terms energy: -55.979050 where: bonds (distance) C4'-P energy: -9.458 bonds (distance) P-C4' energy: -12.190 flat angles C4'-P-C4' energy: -13.900 flat angles P-C4'-P energy: -8.873 tors. eta vs tors. theta energy: -11.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -173.943320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.943320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.943320 (E_RNA) where: Base-Base interactions energy: -118.888 where: short stacking energy: -51.046 Base-Backbone interact. energy: 0.905 local terms energy: -55.960239 where: bonds (distance) C4'-P energy: -10.221 bonds (distance) P-C4' energy: -11.834 flat angles C4'-P-C4' energy: -10.872 flat angles P-C4'-P energy: -8.977 tors. eta vs tors. theta energy: -14.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -80.794280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.794280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.794280 (E_RNA) where: Base-Base interactions energy: -36.299 where: short stacking energy: -34.241 Base-Backbone interact. energy: -0.009 local terms energy: -44.486823 where: bonds (distance) C4'-P energy: -11.458 bonds (distance) P-C4' energy: -12.099 flat angles C4'-P-C4' energy: -12.115 flat angles P-C4'-P energy: -2.811 tors. eta vs tors. theta energy: -6.005 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: 3 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -76.997915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.997915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.997915 (E_RNA) where: Base-Base interactions energy: -30.089 where: short stacking energy: -25.206 Base-Backbone interact. energy: 0.632 local terms energy: -47.540564 where: bonds (distance) C4'-P energy: -11.826 bonds (distance) P-C4' energy: -12.628 flat angles C4'-P-C4' energy: -12.477 flat angles P-C4'-P energy: -7.284 tors. eta vs tors. theta energy: -3.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -66.061547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.061547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.061547 (E_RNA) where: Base-Base interactions energy: -25.764 where: short stacking energy: -25.369 Base-Backbone interact. energy: -0.126 local terms energy: -40.171271 where: bonds (distance) C4'-P energy: -8.991 bonds (distance) P-C4' energy: -13.193 flat angles C4'-P-C4' energy: -9.768 flat angles P-C4'-P energy: -4.725 tors. eta vs tors. theta energy: -3.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -61.571948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.571948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.571948 (E_RNA) where: Base-Base interactions energy: -17.797 where: short stacking energy: -17.797 Base-Backbone interact. energy: -0.152 local terms energy: -43.622614 where: bonds (distance) C4'-P energy: -13.007 bonds (distance) P-C4' energy: -10.122 flat angles C4'-P-C4' energy: -6.733 flat angles P-C4'-P energy: -9.650 tors. eta vs tors. theta energy: -4.111 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: 1, replica: 9 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -204.439284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.439284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.439284 (E_RNA) where: Base-Base interactions energy: -139.626 where: short stacking energy: -59.536 Base-Backbone interact. energy: -0.001 local terms energy: -64.812831 where: bonds (distance) C4'-P energy: -11.194 bonds (distance) P-C4' energy: -13.852 flat angles C4'-P-C4' energy: -13.608 flat angles P-C4'-P energy: -8.274 tors. eta vs tors. theta energy: -17.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -195.787578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.787578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.787578 (E_RNA) where: Base-Base interactions energy: -134.169 where: short stacking energy: -55.132 Base-Backbone interact. energy: -0.071 local terms energy: -61.548334 where: bonds (distance) C4'-P energy: -13.967 bonds (distance) P-C4' energy: -13.579 flat angles C4'-P-C4' energy: -13.417 flat angles P-C4'-P energy: -7.576 tors. eta vs tors. theta energy: -13.009 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: 6 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -193.598853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.598853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.598853 (E_RNA) where: Base-Base interactions energy: -133.075 where: short stacking energy: -58.936 Base-Backbone interact. energy: 0.157 local terms energy: -60.680505 where: bonds (distance) C4'-P energy: -7.607 bonds (distance) P-C4' energy: -13.432 flat angles C4'-P-C4' energy: -12.185 flat angles P-C4'-P energy: -10.017 tors. eta vs tors. theta energy: -17.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -142.325070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.325070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.325070 (E_RNA) where: Base-Base interactions energy: -89.080 where: short stacking energy: -47.727 Base-Backbone interact. energy: 0.276 local terms energy: -53.521184 where: bonds (distance) C4'-P energy: -7.864 bonds (distance) P-C4' energy: -13.551 flat angles C4'-P-C4' energy: -12.785 flat angles P-C4'-P energy: -6.789 tors. eta vs tors. theta energy: -12.533 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: 5, replica: 5 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -182.939428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.939428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.939428 (E_RNA) where: Base-Base interactions energy: -122.521 where: short stacking energy: -58.933 Base-Backbone interact. energy: 2.646 local terms energy: -63.064365 where: bonds (distance) C4'-P energy: -12.319 bonds (distance) P-C4' energy: -8.359 flat angles C4'-P-C4' energy: -13.851 flat angles P-C4'-P energy: -9.461 tors. eta vs tors. theta energy: -19.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -183.544663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.544663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.544663 (E_RNA) where: Base-Base interactions energy: -126.236 where: short stacking energy: -51.902 Base-Backbone interact. energy: 0.108 local terms energy: -57.415856 where: bonds (distance) C4'-P energy: -9.724 bonds (distance) P-C4' energy: -9.892 flat angles C4'-P-C4' energy: -12.655 flat angles P-C4'-P energy: -9.624 tors. eta vs tors. theta energy: -15.521 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: 10 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -92.275946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.275946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.275946 (E_RNA) where: Base-Base interactions energy: -45.172 where: short stacking energy: -34.334 Base-Backbone interact. energy: -0.066 local terms energy: -47.037875 where: bonds (distance) C4'-P energy: -9.467 bonds (distance) P-C4' energy: -13.337 flat angles C4'-P-C4' energy: -13.501 flat angles P-C4'-P energy: -2.523 tors. eta vs tors. theta energy: -8.210 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: 4 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -65.000308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.000308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.000308 (E_RNA) where: Base-Base interactions energy: -21.159 where: short stacking energy: -21.159 Base-Backbone interact. energy: -0.033 local terms energy: -43.808457 where: bonds (distance) C4'-P energy: -12.716 bonds (distance) P-C4' energy: -14.851 flat angles C4'-P-C4' energy: -6.432 flat angles P-C4'-P energy: -8.714 tors. eta vs tors. theta energy: -1.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -70.219976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.219976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.219976 (E_RNA) where: Base-Base interactions energy: -30.251 where: short stacking energy: -28.584 Base-Backbone interact. energy: -0.144 local terms energy: -39.825666 where: bonds (distance) C4'-P energy: -13.772 bonds (distance) P-C4' energy: -12.927 flat angles C4'-P-C4' energy: -3.513 flat angles P-C4'-P energy: -3.728 tors. eta vs tors. theta energy: -5.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -62.313788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.313788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.313788 (E_RNA) where: Base-Base interactions energy: -28.241 where: short stacking energy: -28.241 Base-Backbone interact. energy: 1.236 local terms energy: -35.308449 where: bonds (distance) C4'-P energy: -14.162 bonds (distance) P-C4' energy: -11.916 flat angles C4'-P-C4' energy: -2.529 flat angles P-C4'-P energy: -3.218 tors. eta vs tors. theta energy: -3.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -206.959810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.959810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.959810 (E_RNA) where: Base-Base interactions energy: -140.575 where: short stacking energy: -60.125 Base-Backbone interact. energy: -0.001 local terms energy: -66.384247 where: bonds (distance) C4'-P energy: -14.137 bonds (distance) P-C4' energy: -13.092 flat angles C4'-P-C4' energy: -14.151 flat angles P-C4'-P energy: -8.823 tors. eta vs tors. theta energy: -16.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -201.011084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.011084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.011084 (E_RNA) where: Base-Base interactions energy: -135.902 where: short stacking energy: -56.800 Base-Backbone interact. energy: -0.006 local terms energy: -65.103466 where: bonds (distance) C4'-P energy: -12.708 bonds (distance) P-C4' energy: -13.438 flat angles C4'-P-C4' energy: -13.115 flat angles P-C4'-P energy: -10.011 tors. eta vs tors. theta energy: -15.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -190.453859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.453859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.453859 (E_RNA) where: Base-Base interactions energy: -137.439 where: short stacking energy: -59.454 Base-Backbone interact. energy: -0.001 local terms energy: -53.013522 where: bonds (distance) C4'-P energy: -8.233 bonds (distance) P-C4' energy: -10.140 flat angles C4'-P-C4' energy: -13.099 flat angles P-C4'-P energy: -4.920 tors. eta vs tors. theta energy: -16.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -139.677344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.677344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.677344 (E_RNA) where: Base-Base interactions energy: -86.324 where: short stacking energy: -45.486 Base-Backbone interact. energy: -0.100 local terms energy: -53.253696 where: bonds (distance) C4'-P energy: -10.824 bonds (distance) P-C4' energy: -12.785 flat angles C4'-P-C4' energy: -11.511 flat angles P-C4'-P energy: -7.755 tors. eta vs tors. theta energy: -10.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -188.121996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.121996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.121996 (E_RNA) where: Base-Base interactions energy: -125.620 where: short stacking energy: -55.685 Base-Backbone interact. energy: -0.037 local terms energy: -62.465212 where: bonds (distance) C4'-P energy: -13.300 bonds (distance) P-C4' energy: -14.681 flat angles C4'-P-C4' energy: -10.437 flat angles P-C4'-P energy: -6.145 tors. eta vs tors. theta energy: -17.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -190.312419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.312419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.312419 (E_RNA) where: Base-Base interactions energy: -129.038 where: short stacking energy: -56.845 Base-Backbone interact. energy: -0.002 local terms energy: -61.272559 where: bonds (distance) C4'-P energy: -11.550 bonds (distance) P-C4' energy: -13.730 flat angles C4'-P-C4' energy: -13.400 flat angles P-C4'-P energy: -5.876 tors. eta vs tors. theta energy: -16.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -73.837786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.837786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.837786 (E_RNA) where: Base-Base interactions energy: -26.075 where: short stacking energy: -26.075 Base-Backbone interact. energy: -0.054 local terms energy: -47.709087 where: bonds (distance) C4'-P energy: -12.519 bonds (distance) P-C4' energy: -10.780 flat angles C4'-P-C4' energy: -12.067 flat angles P-C4'-P energy: -7.754 tors. eta vs tors. theta energy: -4.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -71.874705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.874705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.874705 (E_RNA) where: Base-Base interactions energy: -30.202 where: short stacking energy: -26.660 Base-Backbone interact. energy: -0.229 local terms energy: -41.443567 where: bonds (distance) C4'-P energy: -10.407 bonds (distance) P-C4' energy: -12.320 flat angles C4'-P-C4' energy: -9.657 flat angles P-C4'-P energy: -6.935 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: 1 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -65.073905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.073905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.073905 (E_RNA) where: Base-Base interactions energy: -20.595 where: short stacking energy: -20.595 Base-Backbone interact. energy: -0.030 local terms energy: -44.448580 where: bonds (distance) C4'-P energy: -12.129 bonds (distance) P-C4' energy: -15.541 flat angles C4'-P-C4' energy: -9.845 flat angles P-C4'-P energy: -9.231 tors. eta vs tors. theta energy: 2.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -66.377605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.377605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.377605 (E_RNA) where: Base-Base interactions energy: -22.786 where: short stacking energy: -21.536 Base-Backbone interact. energy: -0.205 local terms energy: -43.386998 where: bonds (distance) C4'-P energy: -11.488 bonds (distance) P-C4' energy: -9.657 flat angles C4'-P-C4' energy: -9.463 flat angles P-C4'-P energy: -9.973 tors. eta vs tors. theta energy: -2.807 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: 1, replica: 9 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -203.470784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.470784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.470784 (E_RNA) where: Base-Base interactions energy: -137.694 where: short stacking energy: -56.013 Base-Backbone interact. energy: -0.003 local terms energy: -65.773876 where: bonds (distance) C4'-P energy: -12.811 bonds (distance) P-C4' energy: -12.570 flat angles C4'-P-C4' energy: -12.694 flat angles P-C4'-P energy: -10.356 tors. eta vs tors. theta energy: -17.342 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: 2, replica: 7 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -202.865454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.865454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.865454 (E_RNA) where: Base-Base interactions energy: -143.462 where: short stacking energy: -60.754 Base-Backbone interact. energy: -0.008 local terms energy: -59.395979 where: bonds (distance) C4'-P energy: -9.947 bonds (distance) P-C4' energy: -14.395 flat angles C4'-P-C4' energy: -11.264 flat angles P-C4'-P energy: -6.313 tors. eta vs tors. theta energy: -17.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -191.508187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.508187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.508187 (E_RNA) where: Base-Base interactions energy: -132.478 where: short stacking energy: -58.763 Base-Backbone interact. energy: -0.051 local terms energy: -58.979313 where: bonds (distance) C4'-P energy: -12.191 bonds (distance) P-C4' energy: -10.771 flat angles C4'-P-C4' energy: -12.977 flat angles P-C4'-P energy: -7.569 tors. eta vs tors. theta energy: -15.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -191.414876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.414876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.414876 (E_RNA) where: Base-Base interactions energy: -130.219 where: short stacking energy: -53.315 Base-Backbone interact. energy: -0.008 local terms energy: -61.187193 where: bonds (distance) C4'-P energy: -13.938 bonds (distance) P-C4' energy: -13.631 flat angles C4'-P-C4' energy: -12.298 flat angles P-C4'-P energy: -6.392 tors. eta vs tors. theta energy: -14.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -137.063842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.063842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.063842 (E_RNA) where: Base-Base interactions energy: -85.082 where: short stacking energy: -39.919 Base-Backbone interact. energy: -0.001 local terms energy: -51.980423 where: bonds (distance) C4'-P energy: -11.065 bonds (distance) P-C4' energy: -9.784 flat angles C4'-P-C4' energy: -13.075 flat angles P-C4'-P energy: -8.777 tors. eta vs tors. theta energy: -9.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -181.674315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.674315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.674315 (E_RNA) where: Base-Base interactions energy: -127.226 where: short stacking energy: -54.767 Base-Backbone interact. energy: -0.000 local terms energy: -54.447998 where: bonds (distance) C4'-P energy: -13.132 bonds (distance) P-C4' energy: -13.053 flat angles C4'-P-C4' energy: -10.804 flat angles P-C4'-P energy: -4.971 tors. eta vs tors. theta energy: -12.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -72.634311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.634311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.634311 (E_RNA) where: Base-Base interactions energy: -27.947 where: short stacking energy: -27.947 Base-Backbone interact. energy: -0.013 local terms energy: -44.674533 where: bonds (distance) C4'-P energy: -11.881 bonds (distance) P-C4' energy: -11.539 flat angles C4'-P-C4' energy: -13.199 flat angles P-C4'-P energy: -3.704 tors. eta vs tors. theta energy: -4.351 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: 1 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -80.713013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.713013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.713013 (E_RNA) where: Base-Base interactions energy: -40.080 where: short stacking energy: -35.141 Base-Backbone interact. energy: 1.735 local terms energy: -42.367818 where: bonds (distance) C4'-P energy: -13.382 bonds (distance) P-C4' energy: -5.500 flat angles C4'-P-C4' energy: -7.272 flat angles P-C4'-P energy: -7.457 tors. eta vs tors. theta energy: -8.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -67.842554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.842554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.842554 (E_RNA) where: Base-Base interactions energy: -19.340 where: short stacking energy: -19.340 Base-Backbone interact. energy: -0.098 local terms energy: -48.404502 where: bonds (distance) C4'-P energy: -11.337 bonds (distance) P-C4' energy: -8.560 flat angles C4'-P-C4' energy: -11.953 flat angles P-C4'-P energy: -8.986 tors. eta vs tors. theta energy: -7.568 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: 3 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -73.089646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.089646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.089646 (E_RNA) where: Base-Base interactions energy: -34.528 where: short stacking energy: -27.589 Base-Backbone interact. energy: -0.010 local terms energy: -38.552468 where: bonds (distance) C4'-P energy: -11.843 bonds (distance) P-C4' energy: -4.433 flat angles C4'-P-C4' energy: -8.628 flat angles P-C4'-P energy: -8.260 tors. eta vs tors. theta energy: -5.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -202.298580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.298580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.298580 (E_RNA) where: Base-Base interactions energy: -139.454 where: short stacking energy: -56.545 Base-Backbone interact. energy: -0.000 local terms energy: -62.844494 where: bonds (distance) C4'-P energy: -13.077 bonds (distance) P-C4' energy: -13.215 flat angles C4'-P-C4' energy: -14.022 flat angles P-C4'-P energy: -6.639 tors. eta vs tors. theta energy: -15.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -198.726178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.726178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.726178 (E_RNA) where: Base-Base interactions energy: -138.484 where: short stacking energy: -57.393 Base-Backbone interact. energy: -0.026 local terms energy: -60.215874 where: bonds (distance) C4'-P energy: -13.069 bonds (distance) P-C4' energy: -12.917 flat angles C4'-P-C4' energy: -11.362 flat angles P-C4'-P energy: -7.100 tors. eta vs tors. theta energy: -15.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -198.515305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.515305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.515305 (E_RNA) where: Base-Base interactions energy: -141.406 where: short stacking energy: -60.972 Base-Backbone interact. energy: -0.003 local terms energy: -57.105697 where: bonds (distance) C4'-P energy: -9.513 bonds (distance) P-C4' energy: -12.162 flat angles C4'-P-C4' energy: -13.898 flat angles P-C4'-P energy: -5.726 tors. eta vs tors. theta energy: -15.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -198.287218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.287218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.287218 (E_RNA) where: Base-Base interactions energy: -141.424 where: short stacking energy: -59.725 Base-Backbone interact. energy: -0.079 local terms energy: -56.784122 where: bonds (distance) C4'-P energy: -8.767 bonds (distance) P-C4' energy: -9.951 flat angles C4'-P-C4' energy: -13.691 flat angles P-C4'-P energy: -8.160 tors. eta vs tors. theta energy: -16.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -192.473601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.473601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.473601 (E_RNA) where: Base-Base interactions energy: -130.050 where: short stacking energy: -52.575 Base-Backbone interact. energy: -0.090 local terms energy: -62.333842 where: bonds (distance) C4'-P energy: -12.894 bonds (distance) P-C4' energy: -11.429 flat angles C4'-P-C4' energy: -13.197 flat angles P-C4'-P energy: -7.556 tors. eta vs tors. theta energy: -17.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -137.325424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.325424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.325424 (E_RNA) where: Base-Base interactions energy: -76.416 where: short stacking energy: -43.499 Base-Backbone interact. energy: -0.044 local terms energy: -60.865451 where: bonds (distance) C4'-P energy: -13.818 bonds (distance) P-C4' energy: -12.890 flat angles C4'-P-C4' energy: -14.495 flat angles P-C4'-P energy: -6.554 tors. eta vs tors. theta energy: -13.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -89.468443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.468443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.468443 (E_RNA) where: Base-Base interactions energy: -39.148 where: short stacking energy: -34.177 Base-Backbone interact. energy: -0.028 local terms energy: -50.292972 where: bonds (distance) C4'-P energy: -11.843 bonds (distance) P-C4' energy: -9.918 flat angles C4'-P-C4' energy: -12.507 flat angles P-C4'-P energy: -8.793 tors. eta vs tors. theta energy: -7.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -67.578726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.578726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.578726 (E_RNA) where: Base-Base interactions energy: -23.326 where: short stacking energy: -22.108 Base-Backbone interact. energy: -0.005 local terms energy: -44.247679 where: bonds (distance) C4'-P energy: -10.370 bonds (distance) P-C4' energy: -12.265 flat angles C4'-P-C4' energy: -10.701 flat angles P-C4'-P energy: -5.746 tors. eta vs tors. theta energy: -5.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -88.370574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.370574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.370574 (E_RNA) where: Base-Base interactions energy: -38.054 where: short stacking energy: -35.249 Base-Backbone interact. energy: -1.024 local terms energy: -49.293114 where: bonds (distance) C4'-P energy: -7.794 bonds (distance) P-C4' energy: -12.895 flat angles C4'-P-C4' energy: -13.634 flat angles P-C4'-P energy: -7.857 tors. eta vs tors. theta energy: -7.114 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: 10, replica: 10 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -63.637771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.637771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.637771 (E_RNA) where: Base-Base interactions energy: -23.574 where: short stacking energy: -20.979 Base-Backbone interact. energy: -0.111 local terms energy: -39.952050 where: bonds (distance) C4'-P energy: -12.006 bonds (distance) P-C4' energy: -10.387 flat angles C4'-P-C4' energy: -9.755 flat angles P-C4'-P energy: -5.512 tors. eta vs tors. theta energy: -2.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -208.147549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.147549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.147549 (E_RNA) where: Base-Base interactions energy: -140.614 where: short stacking energy: -63.363 Base-Backbone interact. energy: -0.163 local terms energy: -67.370885 where: bonds (distance) C4'-P energy: -13.652 bonds (distance) P-C4' energy: -15.587 flat angles C4'-P-C4' energy: -13.996 flat angles P-C4'-P energy: -9.698 tors. eta vs tors. theta energy: -14.437 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: 2, replica: 2 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -199.061884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.061884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.061884 (E_RNA) where: Base-Base interactions energy: -143.656 where: short stacking energy: -61.538 Base-Backbone interact. energy: -0.001 local terms energy: -55.404849 where: bonds (distance) C4'-P energy: -10.672 bonds (distance) P-C4' energy: -12.874 flat angles C4'-P-C4' energy: -12.448 flat angles P-C4'-P energy: -0.731 tors. eta vs tors. theta energy: -18.680 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: 7 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -197.713075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.713075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.713075 (E_RNA) where: Base-Base interactions energy: -136.216 where: short stacking energy: -58.814 Base-Backbone interact. energy: -0.001 local terms energy: -61.495859 where: bonds (distance) C4'-P energy: -11.802 bonds (distance) P-C4' energy: -12.845 flat angles C4'-P-C4' energy: -12.399 flat angles P-C4'-P energy: -6.184 tors. eta vs tors. theta energy: -18.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -193.474363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.474363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.474363 (E_RNA) where: Base-Base interactions energy: -130.659 where: short stacking energy: -55.918 Base-Backbone interact. energy: -0.100 local terms energy: -62.714904 where: bonds (distance) C4'-P energy: -12.663 bonds (distance) P-C4' energy: -13.665 flat angles C4'-P-C4' energy: -12.813 flat angles P-C4'-P energy: -8.560 tors. eta vs tors. theta energy: -15.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -190.449586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.449586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.449586 (E_RNA) where: Base-Base interactions energy: -132.748 where: short stacking energy: -57.254 Base-Backbone interact. energy: -0.002 local terms energy: -57.700184 where: bonds (distance) C4'-P energy: -11.204 bonds (distance) P-C4' energy: -13.197 flat angles C4'-P-C4' energy: -11.359 flat angles P-C4'-P energy: -8.806 tors. eta vs tors. theta energy: -13.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -86.591199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.591199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.591199 (E_RNA) where: Base-Base interactions energy: -47.201 where: short stacking energy: -29.228 Base-Backbone interact. energy: 0.450 local terms energy: -39.840467 where: bonds (distance) C4'-P energy: -7.417 bonds (distance) P-C4' energy: -8.839 flat angles C4'-P-C4' energy: -9.533 flat angles P-C4'-P energy: -8.972 tors. eta vs tors. theta energy: -5.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -127.404144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.404144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.404144 (E_RNA) where: Base-Base interactions energy: -78.641 where: short stacking energy: -38.966 Base-Backbone interact. energy: -0.179 local terms energy: -48.584093 where: bonds (distance) C4'-P energy: -11.847 bonds (distance) P-C4' energy: -12.855 flat angles C4'-P-C4' energy: -11.240 flat angles P-C4'-P energy: -6.506 tors. eta vs tors. theta energy: -6.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -85.245538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.245538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.245538 (E_RNA) where: Base-Base interactions energy: -45.598 where: short stacking energy: -28.404 Base-Backbone interact. energy: -0.007 local terms energy: -39.640858 where: bonds (distance) C4'-P energy: -6.027 bonds (distance) P-C4' energy: -9.263 flat angles C4'-P-C4' energy: -11.360 flat angles P-C4'-P energy: -7.169 tors. eta vs tors. theta energy: -5.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -74.566229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.566229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.566229 (E_RNA) where: Base-Base interactions energy: -42.189 where: short stacking energy: -18.958 Base-Backbone interact. energy: 1.917 local terms energy: -34.294460 where: bonds (distance) C4'-P energy: -11.418 bonds (distance) P-C4' energy: -6.421 flat angles C4'-P-C4' energy: -9.420 flat angles P-C4'-P energy: -6.467 tors. eta vs tors. theta energy: -0.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -78.105102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.105102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.105102 (E_RNA) where: Base-Base interactions energy: -36.213 where: short stacking energy: -15.445 Base-Backbone interact. energy: -0.766 local terms energy: -41.126270 where: bonds (distance) C4'-P energy: -11.545 bonds (distance) P-C4' energy: -13.876 flat angles C4'-P-C4' energy: -12.776 flat angles P-C4'-P energy: -1.023 tors. eta vs tors. theta energy: -1.906 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: 9 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -199.390896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.390896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.390896 (E_RNA) where: Base-Base interactions energy: -135.382 where: short stacking energy: -55.443 Base-Backbone interact. energy: -0.008 local terms energy: -64.001104 where: bonds (distance) C4'-P energy: -13.959 bonds (distance) P-C4' energy: -14.395 flat angles C4'-P-C4' energy: -11.472 flat angles P-C4'-P energy: -9.151 tors. eta vs tors. theta energy: -15.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -191.814123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.814123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.814123 (E_RNA) where: Base-Base interactions energy: -131.089 where: short stacking energy: -56.609 Base-Backbone interact. energy: -0.009 local terms energy: -60.716186 where: bonds (distance) C4'-P energy: -14.518 bonds (distance) P-C4' energy: -11.930 flat angles C4'-P-C4' energy: -8.368 flat angles P-C4'-P energy: -8.793 tors. eta vs tors. theta energy: -17.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -196.858412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.858412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.858412 (E_RNA) where: Base-Base interactions energy: -133.700 where: short stacking energy: -52.978 Base-Backbone interact. energy: -0.289 local terms energy: -62.869377 where: bonds (distance) C4'-P energy: -14.572 bonds (distance) P-C4' energy: -13.100 flat angles C4'-P-C4' energy: -14.118 flat angles P-C4'-P energy: -6.442 tors. eta vs tors. theta energy: -14.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -194.264515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.264515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.264515 (E_RNA) where: Base-Base interactions energy: -128.709 where: short stacking energy: -54.216 Base-Backbone interact. energy: -0.060 local terms energy: -65.495111 where: bonds (distance) C4'-P energy: -12.634 bonds (distance) P-C4' energy: -13.515 flat angles C4'-P-C4' energy: -14.083 flat angles P-C4'-P energy: -9.303 tors. eta vs tors. theta energy: -15.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -181.410605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.410605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.410605 (E_RNA) where: Base-Base interactions energy: -130.684 where: short stacking energy: -55.577 Base-Backbone interact. energy: -0.366 local terms energy: -50.361195 where: bonds (distance) C4'-P energy: -6.474 bonds (distance) P-C4' energy: -6.201 flat angles C4'-P-C4' energy: -12.352 flat angles P-C4'-P energy: -8.553 tors. eta vs tors. theta energy: -16.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -74.638736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.638736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.638736 (E_RNA) where: Base-Base interactions energy: -31.889 where: short stacking energy: -29.007 Base-Backbone interact. energy: -0.085 local terms energy: -42.664545 where: bonds (distance) C4'-P energy: -10.291 bonds (distance) P-C4' energy: -13.561 flat angles C4'-P-C4' energy: -13.810 flat angles P-C4'-P energy: -1.024 tors. eta vs tors. theta energy: -3.978 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: 7, replica: 8 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -128.249076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.249076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.249076 (E_RNA) where: Base-Base interactions energy: -81.946 where: short stacking energy: -32.997 Base-Backbone interact. energy: -0.571 local terms energy: -45.732155 where: bonds (distance) C4'-P energy: -12.341 bonds (distance) P-C4' energy: -8.732 flat angles C4'-P-C4' energy: -9.485 flat angles P-C4'-P energy: -7.122 tors. eta vs tors. theta energy: -8.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -78.074925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.074925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.074925 (E_RNA) where: Base-Base interactions energy: -37.757 where: short stacking energy: -27.385 Base-Backbone interact. energy: -0.279 local terms energy: -40.039332 where: bonds (distance) C4'-P energy: -6.218 bonds (distance) P-C4' energy: -9.097 flat angles C4'-P-C4' energy: -9.385 flat angles P-C4'-P energy: -9.539 tors. eta vs tors. theta energy: -5.800 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: 9, replica: 1 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -69.606164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.606164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.606164 (E_RNA) where: Base-Base interactions energy: -23.575 where: short stacking energy: -23.575 Base-Backbone interact. energy: -0.005 local terms energy: -46.026301 where: bonds (distance) C4'-P energy: -12.705 bonds (distance) P-C4' energy: -12.596 flat angles C4'-P-C4' energy: -9.177 flat angles P-C4'-P energy: -8.959 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: 10, replica: 10 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -59.372056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.372056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.372056 (E_RNA) where: Base-Base interactions energy: -25.916 where: short stacking energy: -19.426 Base-Backbone interact. energy: -0.485 local terms energy: -32.971481 where: bonds (distance) C4'-P energy: -9.803 bonds (distance) P-C4' energy: -9.691 flat angles C4'-P-C4' energy: -10.815 flat angles P-C4'-P energy: -4.329 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: 9 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -202.811087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.811087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.811087 (E_RNA) where: Base-Base interactions energy: -140.323 where: short stacking energy: -59.686 Base-Backbone interact. energy: -0.002 local terms energy: -62.486123 where: bonds (distance) C4'-P energy: -12.311 bonds (distance) P-C4' energy: -12.818 flat angles C4'-P-C4' energy: -12.501 flat angles P-C4'-P energy: -6.840 tors. eta vs tors. theta energy: -18.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -202.181015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.181015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.181015 (E_RNA) where: Base-Base interactions energy: -137.453 where: short stacking energy: -58.866 Base-Backbone interact. energy: -0.004 local terms energy: -64.723793 where: bonds (distance) C4'-P energy: -13.805 bonds (distance) P-C4' energy: -11.902 flat angles C4'-P-C4' energy: -15.131 flat angles P-C4'-P energy: -9.086 tors. eta vs tors. theta energy: -14.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -198.384577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.384577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.384577 (E_RNA) where: Base-Base interactions energy: -132.864 where: short stacking energy: -59.083 Base-Backbone interact. energy: -0.566 local terms energy: -64.954628 where: bonds (distance) C4'-P energy: -12.660 bonds (distance) P-C4' energy: -14.365 flat angles C4'-P-C4' energy: -13.447 flat angles P-C4'-P energy: -9.569 tors. eta vs tors. theta energy: -14.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -183.310728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.310728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.310728 (E_RNA) where: Base-Base interactions energy: -119.349 where: short stacking energy: -53.180 Base-Backbone interact. energy: -0.044 local terms energy: -63.917084 where: bonds (distance) C4'-P energy: -12.662 bonds (distance) P-C4' energy: -13.458 flat angles C4'-P-C4' energy: -13.703 flat angles P-C4'-P energy: -6.192 tors. eta vs tors. theta energy: -17.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -182.914396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.914396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.914396 (E_RNA) where: Base-Base interactions energy: -125.843 where: short stacking energy: -49.500 Base-Backbone interact. energy: -0.019 local terms energy: -57.052129 where: bonds (distance) C4'-P energy: -11.359 bonds (distance) P-C4' energy: -10.882 flat angles C4'-P-C4' energy: -15.381 flat angles P-C4'-P energy: -6.858 tors. eta vs tors. theta energy: -12.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -85.875967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.875967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.875967 (E_RNA) where: Base-Base interactions energy: -34.879 where: short stacking energy: -34.879 Base-Backbone interact. energy: -0.016 local terms energy: -50.981393 where: bonds (distance) C4'-P energy: -12.584 bonds (distance) P-C4' energy: -13.038 flat angles C4'-P-C4' energy: -8.272 flat angles P-C4'-P energy: -9.210 tors. eta vs tors. theta energy: -7.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -79.533715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.533715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.533715 (E_RNA) where: Base-Base interactions energy: -29.016 where: short stacking energy: -24.566 Base-Backbone interact. energy: -0.183 local terms energy: -50.335251 where: bonds (distance) C4'-P energy: -9.297 bonds (distance) P-C4' energy: -13.025 flat angles C4'-P-C4' energy: -13.587 flat angles P-C4'-P energy: -4.809 tors. eta vs tors. theta energy: -9.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -77.528657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.528657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.528657 (E_RNA) where: Base-Base interactions energy: -30.550 where: short stacking energy: -28.306 Base-Backbone interact. energy: -0.155 local terms energy: -46.824158 where: bonds (distance) C4'-P energy: -11.036 bonds (distance) P-C4' energy: -13.444 flat angles C4'-P-C4' energy: -9.347 flat angles P-C4'-P energy: -5.066 tors. eta vs tors. theta energy: -7.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -69.859208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.859208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.859208 (E_RNA) where: Base-Base interactions energy: -30.919 where: short stacking energy: -30.814 Base-Backbone interact. energy: 1.413 local terms energy: -40.352495 where: bonds (distance) C4'-P energy: -12.855 bonds (distance) P-C4' energy: -8.577 flat angles C4'-P-C4' energy: -7.676 flat angles P-C4'-P energy: -4.816 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: 10, replica: 10 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -64.687514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.687514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.687514 (E_RNA) where: Base-Base interactions energy: -18.732 where: short stacking energy: -18.732 Base-Backbone interact. energy: -0.340 local terms energy: -45.615163 where: bonds (distance) C4'-P energy: -11.468 bonds (distance) P-C4' energy: -11.539 flat angles C4'-P-C4' energy: -9.504 flat angles P-C4'-P energy: -10.202 tors. eta vs tors. theta energy: -2.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -206.000234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.000234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.000234 (E_RNA) where: Base-Base interactions energy: -141.032 where: short stacking energy: -58.163 Base-Backbone interact. energy: -0.241 local terms energy: -64.726627 where: bonds (distance) C4'-P energy: -13.842 bonds (distance) P-C4' energy: -11.660 flat angles C4'-P-C4' energy: -13.629 flat angles P-C4'-P energy: -9.088 tors. eta vs tors. theta energy: -16.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -197.579327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.579327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.579327 (E_RNA) where: Base-Base interactions energy: -133.821 where: short stacking energy: -55.773 Base-Backbone interact. energy: -0.395 local terms energy: -63.363450 where: bonds (distance) C4'-P energy: -12.527 bonds (distance) P-C4' energy: -11.067 flat angles C4'-P-C4' energy: -14.547 flat angles P-C4'-P energy: -10.245 tors. eta vs tors. theta energy: -14.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -201.110562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.110562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.110562 (E_RNA) where: Base-Base interactions energy: -138.862 where: short stacking energy: -59.787 Base-Backbone interact. energy: -0.256 local terms energy: -61.992114 where: bonds (distance) C4'-P energy: -11.338 bonds (distance) P-C4' energy: -13.402 flat angles C4'-P-C4' energy: -10.550 flat angles P-C4'-P energy: -10.557 tors. eta vs tors. theta energy: -16.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -180.418232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.418232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.418232 (E_RNA) where: Base-Base interactions energy: -124.045 where: short stacking energy: -51.814 Base-Backbone interact. energy: -0.000 local terms energy: -56.372323 where: bonds (distance) C4'-P energy: -12.096 bonds (distance) P-C4' energy: -10.453 flat angles C4'-P-C4' energy: -12.458 flat angles P-C4'-P energy: -9.416 tors. eta vs tors. theta energy: -11.949 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: 7 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -193.386459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.386459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.386459 (E_RNA) where: Base-Base interactions energy: -130.642 where: short stacking energy: -65.210 Base-Backbone interact. energy: -0.020 local terms energy: -62.724626 where: bonds (distance) C4'-P energy: -12.129 bonds (distance) P-C4' energy: -11.312 flat angles C4'-P-C4' energy: -12.144 flat angles P-C4'-P energy: -7.689 tors. eta vs tors. theta energy: -19.451 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: 8 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -93.260765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.260765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.260765 (E_RNA) where: Base-Base interactions energy: -48.588 where: short stacking energy: -34.468 Base-Backbone interact. energy: -0.088 local terms energy: -44.585008 where: bonds (distance) C4'-P energy: -11.633 bonds (distance) P-C4' energy: -11.505 flat angles C4'-P-C4' energy: -8.836 flat angles P-C4'-P energy: -6.806 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: 7, replica: 1 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -71.259047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.259047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.259047 (E_RNA) where: Base-Base interactions energy: -32.268 where: short stacking energy: -29.803 Base-Backbone interact. energy: -0.135 local terms energy: -38.856569 where: bonds (distance) C4'-P energy: -10.574 bonds (distance) P-C4' energy: -11.175 flat angles C4'-P-C4' energy: -8.634 flat angles P-C4'-P energy: -3.499 tors. eta vs tors. theta energy: -4.974 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: 8, replica: 4 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -88.455472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.455472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.455472 (E_RNA) where: Base-Base interactions energy: -39.510 where: short stacking energy: -39.510 Base-Backbone interact. energy: -0.002 local terms energy: -48.943099 where: bonds (distance) C4'-P energy: -7.454 bonds (distance) P-C4' energy: -12.050 flat angles C4'-P-C4' energy: -13.012 flat angles P-C4'-P energy: -7.407 tors. eta vs tors. theta energy: -9.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -60.875529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.875529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.875529 (E_RNA) where: Base-Base interactions energy: -18.007 where: short stacking energy: -17.834 Base-Backbone interact. energy: -0.067 local terms energy: -42.801875 where: bonds (distance) C4'-P energy: -12.166 bonds (distance) P-C4' energy: -8.850 flat angles C4'-P-C4' energy: -12.260 flat angles P-C4'-P energy: -8.042 tors. eta vs tors. theta energy: -1.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -65.474909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.474909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.474909 (E_RNA) where: Base-Base interactions energy: -23.004 where: short stacking energy: -22.946 Base-Backbone interact. energy: -0.159 local terms energy: -42.312012 where: bonds (distance) C4'-P energy: -7.124 bonds (distance) P-C4' energy: -10.276 flat angles C4'-P-C4' energy: -14.265 flat angles P-C4'-P energy: -8.680 tors. eta vs tors. theta energy: -1.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -203.992241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.992241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.992241 (E_RNA) where: Base-Base interactions energy: -143.228 where: short stacking energy: -57.550 Base-Backbone interact. energy: -0.000 local terms energy: -60.764296 where: bonds (distance) C4'-P energy: -13.234 bonds (distance) P-C4' energy: -12.651 flat angles C4'-P-C4' energy: -13.836 flat angles P-C4'-P energy: -5.152 tors. eta vs tors. theta energy: -15.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -204.038341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.038341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.038341 (E_RNA) where: Base-Base interactions energy: -140.566 where: short stacking energy: -58.461 Base-Backbone interact. energy: -0.788 local terms energy: -62.684046 where: bonds (distance) C4'-P energy: -11.536 bonds (distance) P-C4' energy: -11.828 flat angles C4'-P-C4' energy: -14.027 flat angles P-C4'-P energy: -8.110 tors. eta vs tors. theta energy: -17.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -196.529803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.529803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.529803 (E_RNA) where: Base-Base interactions energy: -129.313 where: short stacking energy: -55.601 Base-Backbone interact. energy: -0.009 local terms energy: -67.207857 where: bonds (distance) C4'-P energy: -14.451 bonds (distance) P-C4' energy: -14.688 flat angles C4'-P-C4' energy: -11.991 flat angles P-C4'-P energy: -9.516 tors. eta vs tors. theta energy: -16.563 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: 7 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -198.660956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.660956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.660956 (E_RNA) where: Base-Base interactions energy: -135.115 where: short stacking energy: -57.485 Base-Backbone interact. energy: -0.314 local terms energy: -63.232610 where: bonds (distance) C4'-P energy: -14.028 bonds (distance) P-C4' energy: -12.355 flat angles C4'-P-C4' energy: -12.992 flat angles P-C4'-P energy: -10.061 tors. eta vs tors. theta energy: -13.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -182.882205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.882205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.882205 (E_RNA) where: Base-Base interactions energy: -129.989 where: short stacking energy: -50.111 Base-Backbone interact. energy: -0.091 local terms energy: -52.801431 where: bonds (distance) C4'-P energy: -10.327 bonds (distance) P-C4' energy: -10.256 flat angles C4'-P-C4' energy: -12.949 flat angles P-C4'-P energy: -5.347 tors. eta vs tors. theta energy: -13.923 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: 1 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -89.435152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.435152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.435152 (E_RNA) where: Base-Base interactions energy: -42.495 where: short stacking energy: -28.804 Base-Backbone interact. energy: 0.588 local terms energy: -47.527372 where: bonds (distance) C4'-P energy: -10.622 bonds (distance) P-C4' energy: -14.209 flat angles C4'-P-C4' energy: -12.712 flat angles P-C4'-P energy: -5.078 tors. eta vs tors. theta energy: -4.906 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: 8 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -81.914502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.914502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.914502 (E_RNA) where: Base-Base interactions energy: -28.783 where: short stacking energy: -26.359 Base-Backbone interact. energy: -0.114 local terms energy: -53.017409 where: bonds (distance) C4'-P energy: -12.917 bonds (distance) P-C4' energy: -13.230 flat angles C4'-P-C4' energy: -9.940 flat angles P-C4'-P energy: -10.441 tors. eta vs tors. theta energy: -6.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -82.203599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.203599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.203599 (E_RNA) where: Base-Base interactions energy: -38.752 where: short stacking energy: -24.004 Base-Backbone interact. energy: -0.020 local terms energy: -43.431581 where: bonds (distance) C4'-P energy: -8.212 bonds (distance) P-C4' energy: -11.853 flat angles C4'-P-C4' energy: -12.161 flat angles P-C4'-P energy: -5.592 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: 4 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -68.774414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.774414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.774414 (E_RNA) where: Base-Base interactions energy: -27.822 where: short stacking energy: -27.822 Base-Backbone interact. energy: -0.021 local terms energy: -40.931423 where: bonds (distance) C4'-P energy: -12.633 bonds (distance) P-C4' energy: -11.201 flat angles C4'-P-C4' energy: -6.265 flat angles P-C4'-P energy: -4.733 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: 3 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -58.601103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.601103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.601103 (E_RNA) where: Base-Base interactions energy: -18.599 where: short stacking energy: -15.439 Base-Backbone interact. energy: -0.055 local terms energy: -39.947028 where: bonds (distance) C4'-P energy: -13.674 bonds (distance) P-C4' energy: -14.671 flat angles C4'-P-C4' energy: -4.702 flat angles P-C4'-P energy: -7.493 tors. eta vs tors. theta energy: 0.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -205.900034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.900034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.900034 (E_RNA) where: Base-Base interactions energy: -142.815 where: short stacking energy: -62.947 Base-Backbone interact. energy: -0.010 local terms energy: -63.074582 where: bonds (distance) C4'-P energy: -14.236 bonds (distance) P-C4' energy: -10.732 flat angles C4'-P-C4' energy: -15.146 flat angles P-C4'-P energy: -7.097 tors. eta vs tors. theta energy: -15.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -201.035370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.035370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.035370 (E_RNA) where: Base-Base interactions energy: -137.954 where: short stacking energy: -57.467 Base-Backbone interact. energy: -0.002 local terms energy: -63.079809 where: bonds (distance) C4'-P energy: -12.138 bonds (distance) P-C4' energy: -14.073 flat angles C4'-P-C4' energy: -12.652 flat angles P-C4'-P energy: -9.010 tors. eta vs tors. theta energy: -15.207 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: 7 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -194.234788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.234788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.234788 (E_RNA) where: Base-Base interactions energy: -133.690 where: short stacking energy: -52.554 Base-Backbone interact. energy: -0.002 local terms energy: -60.543174 where: bonds (distance) C4'-P energy: -10.158 bonds (distance) P-C4' energy: -13.505 flat angles C4'-P-C4' energy: -13.188 flat angles P-C4'-P energy: -8.045 tors. eta vs tors. theta energy: -15.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -176.795090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.795090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.795090 (E_RNA) where: Base-Base interactions energy: -121.554 where: short stacking energy: -47.006 Base-Backbone interact. energy: -0.076 local terms energy: -55.164534 where: bonds (distance) C4'-P energy: -11.372 bonds (distance) P-C4' energy: -7.616 flat angles C4'-P-C4' energy: -14.436 flat angles P-C4'-P energy: -10.100 tors. eta vs tors. theta energy: -11.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -186.335464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.335464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.335464 (E_RNA) where: Base-Base interactions energy: -127.314 where: short stacking energy: -50.923 Base-Backbone interact. energy: -0.001 local terms energy: -59.020384 where: bonds (distance) C4'-P energy: -10.444 bonds (distance) P-C4' energy: -14.437 flat angles C4'-P-C4' energy: -13.786 flat angles P-C4'-P energy: -4.742 tors. eta vs tors. theta energy: -15.612 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: 1 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -73.976600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.976600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.976600 (E_RNA) where: Base-Base interactions energy: -25.267 where: short stacking energy: -19.665 Base-Backbone interact. energy: -0.096 local terms energy: -48.612929 where: bonds (distance) C4'-P energy: -13.060 bonds (distance) P-C4' energy: -13.057 flat angles C4'-P-C4' energy: -10.138 flat angles P-C4'-P energy: -10.066 tors. eta vs tors. theta energy: -2.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -71.072000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.072000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.072000 (E_RNA) where: Base-Base interactions energy: -30.384 where: short stacking energy: -26.078 Base-Backbone interact. energy: 1.805 local terms energy: -42.493836 where: bonds (distance) C4'-P energy: -12.365 bonds (distance) P-C4' energy: -9.763 flat angles C4'-P-C4' energy: -9.671 flat angles P-C4'-P energy: -5.564 tors. eta vs tors. theta energy: -5.131 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: 8 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -81.775103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.775103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.775103 (E_RNA) where: Base-Base interactions energy: -35.955 where: short stacking energy: -27.627 Base-Backbone interact. energy: 0.471 local terms energy: -46.291496 where: bonds (distance) C4'-P energy: -13.524 bonds (distance) P-C4' energy: -11.104 flat angles C4'-P-C4' energy: -7.409 flat angles P-C4'-P energy: -7.740 tors. eta vs tors. theta energy: -6.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -69.222483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.222483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.222483 (E_RNA) where: Base-Base interactions energy: -27.857 where: short stacking energy: -19.766 Base-Backbone interact. energy: -0.045 local terms energy: -41.320279 where: bonds (distance) C4'-P energy: -7.858 bonds (distance) P-C4' energy: -13.031 flat angles C4'-P-C4' energy: -14.670 flat angles P-C4'-P energy: -3.556 tors. eta vs tors. theta energy: -2.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -64.110247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.110247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.110247 (E_RNA) where: Base-Base interactions energy: -24.412 where: short stacking energy: -24.412 Base-Backbone interact. energy: -0.103 local terms energy: -39.595204 where: bonds (distance) C4'-P energy: -8.047 bonds (distance) P-C4' energy: -13.966 flat angles C4'-P-C4' energy: -8.511 flat angles P-C4'-P energy: -7.839 tors. eta vs tors. theta energy: -1.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -203.899118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.899118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.899118 (E_RNA) where: Base-Base interactions energy: -137.657 where: short stacking energy: -56.928 Base-Backbone interact. energy: -0.005 local terms energy: -66.236686 where: bonds (distance) C4'-P energy: -11.889 bonds (distance) P-C4' energy: -12.413 flat angles C4'-P-C4' energy: -14.569 flat angles P-C4'-P energy: -10.901 tors. eta vs tors. theta energy: -16.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -195.030473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.030473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.030473 (E_RNA) where: Base-Base interactions energy: -134.713 where: short stacking energy: -56.859 Base-Backbone interact. energy: -0.006 local terms energy: -60.311713 where: bonds (distance) C4'-P energy: -10.933 bonds (distance) P-C4' energy: -13.554 flat angles C4'-P-C4' energy: -13.586 flat angles P-C4'-P energy: -7.490 tors. eta vs tors. theta energy: -14.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -198.647374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.647374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.647374 (E_RNA) where: Base-Base interactions energy: -134.056 where: short stacking energy: -57.608 Base-Backbone interact. energy: -0.002 local terms energy: -64.588966 where: bonds (distance) C4'-P energy: -14.224 bonds (distance) P-C4' energy: -11.859 flat angles C4'-P-C4' energy: -14.202 flat angles P-C4'-P energy: -7.560 tors. eta vs tors. theta energy: -16.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -186.007738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.007738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.007738 (E_RNA) where: Base-Base interactions energy: -126.313 where: short stacking energy: -52.021 Base-Backbone interact. energy: -0.038 local terms energy: -59.656607 where: bonds (distance) C4'-P energy: -9.906 bonds (distance) P-C4' energy: -13.141 flat angles C4'-P-C4' energy: -14.548 flat angles P-C4'-P energy: -10.773 tors. eta vs tors. theta energy: -11.289 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: 9 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -181.522415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.522415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.522415 (E_RNA) where: Base-Base interactions energy: -124.640 where: short stacking energy: -55.032 Base-Backbone interact. energy: -0.077 local terms energy: -56.805531 where: bonds (distance) C4'-P energy: -8.208 bonds (distance) P-C4' energy: -11.718 flat angles C4'-P-C4' energy: -13.544 flat angles P-C4'-P energy: -8.526 tors. eta vs tors. theta energy: -14.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -88.284748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.284748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.284748 (E_RNA) where: Base-Base interactions energy: -41.593 where: short stacking energy: -30.181 Base-Backbone interact. energy: -0.089 local terms energy: -46.602467 where: bonds (distance) C4'-P energy: -14.323 bonds (distance) P-C4' energy: -12.656 flat angles C4'-P-C4' energy: -12.770 flat angles P-C4'-P energy: -7.000 tors. eta vs tors. theta energy: 0.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -85.231714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.231714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.231714 (E_RNA) where: Base-Base interactions energy: -27.766 where: short stacking energy: -27.766 Base-Backbone interact. energy: -0.089 local terms energy: -57.376321 where: bonds (distance) C4'-P energy: -12.954 bonds (distance) P-C4' energy: -13.758 flat angles C4'-P-C4' energy: -12.503 flat angles P-C4'-P energy: -11.147 tors. eta vs tors. theta energy: -7.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -65.777992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.777992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.777992 (E_RNA) where: Base-Base interactions energy: -30.499 where: short stacking energy: -18.872 Base-Backbone interact. energy: -0.522 local terms energy: -34.757647 where: bonds (distance) C4'-P energy: -8.328 bonds (distance) P-C4' energy: -11.427 flat angles C4'-P-C4' energy: -11.867 flat angles P-C4'-P energy: -4.647 tors. eta vs tors. theta energy: 1.511 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: 8 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -65.726079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.726079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.726079 (E_RNA) where: Base-Base interactions energy: -29.097 where: short stacking energy: -21.566 Base-Backbone interact. energy: -0.048 local terms energy: -36.581387 where: bonds (distance) C4'-P energy: -12.290 bonds (distance) P-C4' energy: -11.320 flat angles C4'-P-C4' energy: -8.742 flat angles P-C4'-P energy: -3.648 tors. eta vs tors. theta energy: -0.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -65.165847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.165847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.165847 (E_RNA) where: Base-Base interactions energy: -23.879 where: short stacking energy: -23.409 Base-Backbone interact. energy: 0.463 local terms energy: -41.749216 where: bonds (distance) C4'-P energy: -12.713 bonds (distance) P-C4' energy: -10.619 flat angles C4'-P-C4' energy: -5.900 flat angles P-C4'-P energy: -8.056 tors. eta vs tors. theta energy: -4.462 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: 7 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -203.147110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.147110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.147110 (E_RNA) where: Base-Base interactions energy: -138.720 where: short stacking energy: -59.495 Base-Backbone interact. energy: -0.100 local terms energy: -64.326913 where: bonds (distance) C4'-P energy: -9.306 bonds (distance) P-C4' energy: -14.163 flat angles C4'-P-C4' energy: -14.154 flat angles P-C4'-P energy: -8.492 tors. eta vs tors. theta energy: -18.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -204.042811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.042811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.042811 (E_RNA) where: Base-Base interactions energy: -138.728 where: short stacking energy: -60.590 Base-Backbone interact. energy: -0.165 local terms energy: -65.150539 where: bonds (distance) C4'-P energy: -12.455 bonds (distance) P-C4' energy: -14.021 flat angles C4'-P-C4' energy: -12.042 flat angles P-C4'-P energy: -10.304 tors. eta vs tors. theta energy: -16.329 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: 5 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -188.633917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.633917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.633917 (E_RNA) where: Base-Base interactions energy: -126.837 where: short stacking energy: -54.451 Base-Backbone interact. energy: -0.009 local terms energy: -61.788268 where: bonds (distance) C4'-P energy: -9.963 bonds (distance) P-C4' energy: -14.650 flat angles C4'-P-C4' energy: -12.872 flat angles P-C4'-P energy: -8.345 tors. eta vs tors. theta energy: -15.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -189.656012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.656012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.656012 (E_RNA) where: Base-Base interactions energy: -130.814 where: short stacking energy: -55.133 Base-Backbone interact. energy: -0.001 local terms energy: -58.841381 where: bonds (distance) C4'-P energy: -10.585 bonds (distance) P-C4' energy: -13.693 flat angles C4'-P-C4' energy: -10.150 flat angles P-C4'-P energy: -8.078 tors. eta vs tors. theta energy: -16.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -186.345624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.345624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.345624 (E_RNA) where: Base-Base interactions energy: -131.471 where: short stacking energy: -52.456 Base-Backbone interact. energy: -0.027 local terms energy: -54.847516 where: bonds (distance) C4'-P energy: -13.561 bonds (distance) P-C4' energy: -12.200 flat angles C4'-P-C4' energy: -9.556 flat angles P-C4'-P energy: -8.655 tors. eta vs tors. theta energy: -10.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -84.561671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.561671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.561671 (E_RNA) where: Base-Base interactions energy: -29.200 where: short stacking energy: -29.200 Base-Backbone interact. energy: -0.001 local terms energy: -55.360603 where: bonds (distance) C4'-P energy: -12.742 bonds (distance) P-C4' energy: -13.959 flat angles C4'-P-C4' energy: -15.178 flat angles P-C4'-P energy: -5.416 tors. eta vs tors. theta energy: -8.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -80.805376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.805376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.805376 (E_RNA) where: Base-Base interactions energy: -31.604 where: short stacking energy: -26.109 Base-Backbone interact. energy: -0.007 local terms energy: -49.194227 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -14.167 flat angles C4'-P-C4' energy: -9.427 flat angles P-C4'-P energy: -11.009 tors. eta vs tors. theta energy: -8.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -95.732003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.732003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.732003 (E_RNA) where: Base-Base interactions energy: -42.583 where: short stacking energy: -27.828 Base-Backbone interact. energy: -0.870 local terms energy: -52.279424 where: bonds (distance) C4'-P energy: -13.346 bonds (distance) P-C4' energy: -9.305 flat angles C4'-P-C4' energy: -10.630 flat angles P-C4'-P energy: -10.751 tors. eta vs tors. theta energy: -8.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -65.369147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.369147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.369147 (E_RNA) where: Base-Base interactions energy: -25.363 where: short stacking energy: -15.927 Base-Backbone interact. energy: -0.212 local terms energy: -39.794417 where: bonds (distance) C4'-P energy: -12.726 bonds (distance) P-C4' energy: -14.060 flat angles C4'-P-C4' energy: -15.561 flat angles P-C4'-P energy: 3.488 tors. eta vs tors. theta energy: -0.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -69.749571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.749571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.749571 (E_RNA) where: Base-Base interactions energy: -22.055 where: short stacking energy: -17.685 Base-Backbone interact. energy: -0.069 local terms energy: -47.625724 where: bonds (distance) C4'-P energy: -12.617 bonds (distance) P-C4' energy: -9.260 flat angles C4'-P-C4' energy: -12.235 flat angles P-C4'-P energy: -10.388 tors. eta vs tors. theta energy: -3.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -201.911438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.911438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.911438 (E_RNA) where: Base-Base interactions energy: -137.242 where: short stacking energy: -57.729 Base-Backbone interact. energy: -0.135 local terms energy: -64.535212 where: bonds (distance) C4'-P energy: -12.609 bonds (distance) P-C4' energy: -14.159 flat angles C4'-P-C4' energy: -12.604 flat angles P-C4'-P energy: -9.432 tors. eta vs tors. theta energy: -15.732 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: 5 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -196.082854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.082854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.082854 (E_RNA) where: Base-Base interactions energy: -137.063 where: short stacking energy: -55.783 Base-Backbone interact. energy: -0.005 local terms energy: -59.014973 where: bonds (distance) C4'-P energy: -11.035 bonds (distance) P-C4' energy: -11.436 flat angles C4'-P-C4' energy: -13.189 flat angles P-C4'-P energy: -8.637 tors. eta vs tors. theta energy: -14.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -191.857439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.857439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.857439 (E_RNA) where: Base-Base interactions energy: -133.646 where: short stacking energy: -57.385 Base-Backbone interact. energy: -0.003 local terms energy: -58.208099 where: bonds (distance) C4'-P energy: -8.303 bonds (distance) P-C4' energy: -14.360 flat angles C4'-P-C4' energy: -13.207 flat angles P-C4'-P energy: -8.305 tors. eta vs tors. theta energy: -14.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -189.729467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.729467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.729467 (E_RNA) where: Base-Base interactions energy: -138.436 where: short stacking energy: -58.492 Base-Backbone interact. energy: -0.007 local terms energy: -51.286556 where: bonds (distance) C4'-P energy: -12.770 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -10.177 flat angles P-C4'-P energy: -7.623 tors. eta vs tors. theta energy: -12.696 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: 6 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -195.266066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.266066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.266066 (E_RNA) where: Base-Base interactions energy: -134.839 where: short stacking energy: -58.031 Base-Backbone interact. energy: -0.004 local terms energy: -60.423047 where: bonds (distance) C4'-P energy: -10.593 bonds (distance) P-C4' energy: -13.444 flat angles C4'-P-C4' energy: -13.498 flat angles P-C4'-P energy: -8.552 tors. eta vs tors. theta energy: -14.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -102.460989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.460989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.460989 (E_RNA) where: Base-Base interactions energy: -45.680 where: short stacking energy: -39.355 Base-Backbone interact. energy: -0.078 local terms energy: -56.702962 where: bonds (distance) C4'-P energy: -12.633 bonds (distance) P-C4' energy: -13.046 flat angles C4'-P-C4' energy: -14.298 flat angles P-C4'-P energy: -7.368 tors. eta vs tors. theta energy: -9.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -73.880939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.880939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.880939 (E_RNA) where: Base-Base interactions energy: -28.574 where: short stacking energy: -25.503 Base-Backbone interact. energy: -0.069 local terms energy: -45.237832 where: bonds (distance) C4'-P energy: -8.595 bonds (distance) P-C4' energy: -14.635 flat angles C4'-P-C4' energy: -10.569 flat angles P-C4'-P energy: -8.158 tors. eta vs tors. theta energy: -3.281 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: 4 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -71.949813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.949813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.949813 (E_RNA) where: Base-Base interactions energy: -22.224 where: short stacking energy: -20.777 Base-Backbone interact. energy: -0.009 local terms energy: -49.716701 where: bonds (distance) C4'-P energy: -13.354 bonds (distance) P-C4' energy: -13.803 flat angles C4'-P-C4' energy: -11.752 flat angles P-C4'-P energy: -8.478 tors. eta vs tors. theta energy: -2.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -69.077841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.077841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.077841 (E_RNA) where: Base-Base interactions energy: -28.048 where: short stacking energy: -25.447 Base-Backbone interact. energy: -0.066 local terms energy: -40.963798 where: bonds (distance) C4'-P energy: -7.053 bonds (distance) P-C4' energy: -8.819 flat angles C4'-P-C4' energy: -9.680 flat angles P-C4'-P energy: -10.351 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: 8 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -81.467361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.467361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.467361 (E_RNA) where: Base-Base interactions energy: -34.331 where: short stacking energy: -29.845 Base-Backbone interact. energy: -0.023 local terms energy: -47.114081 where: bonds (distance) C4'-P energy: -12.742 bonds (distance) P-C4' energy: -14.407 flat angles C4'-P-C4' energy: -5.601 flat angles P-C4'-P energy: -6.698 tors. eta vs tors. theta energy: -7.666 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: 5 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -203.179883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.179883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.179883 (E_RNA) where: Base-Base interactions energy: -140.227 where: short stacking energy: -60.072 Base-Backbone interact. energy: -0.001 local terms energy: -62.952405 where: bonds (distance) C4'-P energy: -11.512 bonds (distance) P-C4' energy: -11.785 flat angles C4'-P-C4' energy: -15.065 flat angles P-C4'-P energy: -8.426 tors. eta vs tors. theta energy: -16.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -199.594510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.594510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.594510 (E_RNA) where: Base-Base interactions energy: -139.120 where: short stacking energy: -57.601 Base-Backbone interact. energy: -0.001 local terms energy: -60.473669 where: bonds (distance) C4'-P energy: -14.020 bonds (distance) P-C4' energy: -12.883 flat angles C4'-P-C4' energy: -13.078 flat angles P-C4'-P energy: -6.717 tors. eta vs tors. theta energy: -13.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -195.616307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.616307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.616307 (E_RNA) where: Base-Base interactions energy: -136.005 where: short stacking energy: -53.542 Base-Backbone interact. energy: -0.101 local terms energy: -59.510100 where: bonds (distance) C4'-P energy: -11.749 bonds (distance) P-C4' energy: -14.435 flat angles C4'-P-C4' energy: -11.149 flat angles P-C4'-P energy: -4.751 tors. eta vs tors. theta energy: -17.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -196.419939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.419939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.419939 (E_RNA) where: Base-Base interactions energy: -136.223 where: short stacking energy: -58.676 Base-Backbone interact. energy: -0.000 local terms energy: -60.196963 where: bonds (distance) C4'-P energy: -12.912 bonds (distance) P-C4' energy: -10.871 flat angles C4'-P-C4' energy: -12.926 flat angles P-C4'-P energy: -8.924 tors. eta vs tors. theta energy: -14.564 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: 6 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -192.293651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.293651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.293651 (E_RNA) where: Base-Base interactions energy: -135.237 where: short stacking energy: -55.154 Base-Backbone interact. energy: -0.175 local terms energy: -56.881468 where: bonds (distance) C4'-P energy: -9.061 bonds (distance) P-C4' energy: -9.629 flat angles C4'-P-C4' energy: -11.915 flat angles P-C4'-P energy: -9.417 tors. eta vs tors. theta energy: -16.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -87.604306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.604306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.604306 (E_RNA) where: Base-Base interactions energy: -45.594 where: short stacking energy: -38.989 Base-Backbone interact. energy: -0.033 local terms energy: -41.977670 where: bonds (distance) C4'-P energy: -11.517 bonds (distance) P-C4' energy: -7.464 flat angles C4'-P-C4' energy: -12.544 flat angles P-C4'-P energy: -5.880 tors. eta vs tors. theta energy: -4.572 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: 4 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -80.168168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.168168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.168168 (E_RNA) where: Base-Base interactions energy: -29.718 where: short stacking energy: -26.379 Base-Backbone interact. energy: -0.001 local terms energy: -50.449287 where: bonds (distance) C4'-P energy: -10.891 bonds (distance) P-C4' energy: -11.085 flat angles C4'-P-C4' energy: -13.308 flat angles P-C4'-P energy: -5.434 tors. eta vs tors. theta energy: -9.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -80.670944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.670944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.670944 (E_RNA) where: Base-Base interactions energy: -34.998 where: short stacking energy: -28.220 Base-Backbone interact. energy: -0.027 local terms energy: -45.645642 where: bonds (distance) C4'-P energy: -12.501 bonds (distance) P-C4' energy: -10.852 flat angles C4'-P-C4' energy: -7.651 flat angles P-C4'-P energy: -10.509 tors. eta vs tors. theta energy: -4.133 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: 9, replica: 8 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -76.330454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.330454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.330454 (E_RNA) where: Base-Base interactions energy: -35.178 where: short stacking energy: -34.268 Base-Backbone interact. energy: -0.062 local terms energy: -41.090473 where: bonds (distance) C4'-P energy: -11.097 bonds (distance) P-C4' energy: -12.377 flat angles C4'-P-C4' energy: -6.129 flat angles P-C4'-P energy: -3.716 tors. eta vs tors. theta energy: -7.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -81.971026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.971026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.971026 (E_RNA) where: Base-Base interactions energy: -40.613 where: short stacking energy: -18.244 Base-Backbone interact. energy: -0.050 local terms energy: -41.307344 where: bonds (distance) C4'-P energy: -11.391 bonds (distance) P-C4' energy: -14.650 flat angles C4'-P-C4' energy: -6.531 flat angles P-C4'-P energy: -9.187 tors. eta vs tors. theta energy: 0.452 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: 5 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -201.457352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.457352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.457352 (E_RNA) where: Base-Base interactions energy: -133.335 where: short stacking energy: -57.476 Base-Backbone interact. energy: -0.003 local terms energy: -68.118974 where: bonds (distance) C4'-P energy: -13.917 bonds (distance) P-C4' energy: -13.111 flat angles C4'-P-C4' energy: -14.252 flat angles P-C4'-P energy: -9.230 tors. eta vs tors. theta energy: -17.610 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: 9 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -204.252723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.252723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.252723 (E_RNA) where: Base-Base interactions energy: -136.254 where: short stacking energy: -55.316 Base-Backbone interact. energy: -0.843 local terms energy: -67.155651 where: bonds (distance) C4'-P energy: -14.625 bonds (distance) P-C4' energy: -14.184 flat angles C4'-P-C4' energy: -14.568 flat angles P-C4'-P energy: -8.345 tors. eta vs tors. theta energy: -15.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -199.372345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.372345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.372345 (E_RNA) where: Base-Base interactions energy: -138.409 where: short stacking energy: -60.328 Base-Backbone interact. energy: -0.001 local terms energy: -60.962772 where: bonds (distance) C4'-P energy: -9.144 bonds (distance) P-C4' energy: -15.305 flat angles C4'-P-C4' energy: -13.768 flat angles P-C4'-P energy: -9.268 tors. eta vs tors. theta energy: -13.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -190.403662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.403662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.403662 (E_RNA) where: Base-Base interactions energy: -133.127 where: short stacking energy: -52.745 Base-Backbone interact. energy: -0.010 local terms energy: -57.267100 where: bonds (distance) C4'-P energy: -12.398 bonds (distance) P-C4' energy: -9.831 flat angles C4'-P-C4' energy: -11.866 flat angles P-C4'-P energy: -5.316 tors. eta vs tors. theta energy: -17.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -188.838277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.838277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.838277 (E_RNA) where: Base-Base interactions energy: -127.224 where: short stacking energy: -50.890 Base-Backbone interact. energy: -0.257 local terms energy: -61.357235 where: bonds (distance) C4'-P energy: -14.671 bonds (distance) P-C4' energy: -10.990 flat angles C4'-P-C4' energy: -11.533 flat angles P-C4'-P energy: -9.219 tors. eta vs tors. theta energy: -14.944 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: 4 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -78.564464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.564464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.564464 (E_RNA) where: Base-Base interactions energy: -31.139 where: short stacking energy: -30.796 Base-Backbone interact. energy: -0.032 local terms energy: -47.393829 where: bonds (distance) C4'-P energy: -11.988 bonds (distance) P-C4' energy: -12.436 flat angles C4'-P-C4' energy: -10.880 flat angles P-C4'-P energy: -4.467 tors. eta vs tors. theta energy: -7.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -89.234502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.234502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.234502 (E_RNA) where: Base-Base interactions energy: -37.505 where: short stacking energy: -33.727 Base-Backbone interact. energy: -0.009 local terms energy: -51.719904 where: bonds (distance) C4'-P energy: -8.416 bonds (distance) P-C4' energy: -14.135 flat angles C4'-P-C4' energy: -14.657 flat angles P-C4'-P energy: -11.286 tors. eta vs tors. theta energy: -3.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -72.294311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.294311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.294311 (E_RNA) where: Base-Base interactions energy: -32.218 where: short stacking energy: -16.827 Base-Backbone interact. energy: -1.055 local terms energy: -39.021910 where: bonds (distance) C4'-P energy: -12.129 bonds (distance) P-C4' energy: -9.561 flat angles C4'-P-C4' energy: -9.043 flat angles P-C4'-P energy: -5.946 tors. eta vs tors. theta energy: -2.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -79.376196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.376196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.376196 (E_RNA) where: Base-Base interactions energy: -30.332 where: short stacking energy: -26.380 Base-Backbone interact. energy: -0.210 local terms energy: -48.834148 where: bonds (distance) C4'-P energy: -13.561 bonds (distance) P-C4' energy: -12.913 flat angles C4'-P-C4' energy: -5.311 flat angles P-C4'-P energy: -10.992 tors. eta vs tors. theta energy: -6.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -64.137453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.137453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.137453 (E_RNA) where: Base-Base interactions energy: -28.133 where: short stacking energy: -14.612 Base-Backbone interact. energy: 1.336 local terms energy: -37.340095 where: bonds (distance) C4'-P energy: -10.428 bonds (distance) P-C4' energy: -11.485 flat angles C4'-P-C4' energy: -7.709 flat angles P-C4'-P energy: -6.099 tors. eta vs tors. theta energy: -1.620 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: 5 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -201.905520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.905520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.905520 (E_RNA) where: Base-Base interactions energy: -135.215 where: short stacking energy: -59.178 Base-Backbone interact. energy: -0.003 local terms energy: -66.687463 where: bonds (distance) C4'-P energy: -12.945 bonds (distance) P-C4' energy: -15.834 flat angles C4'-P-C4' energy: -12.642 flat angles P-C4'-P energy: -8.694 tors. eta vs tors. theta energy: -16.572 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: 9 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -196.078320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.078320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.078320 (E_RNA) where: Base-Base interactions energy: -139.889 where: short stacking energy: -59.798 Base-Backbone interact. energy: -0.002 local terms energy: -56.186840 where: bonds (distance) C4'-P energy: -11.798 bonds (distance) P-C4' energy: -7.628 flat angles C4'-P-C4' energy: -14.762 flat angles P-C4'-P energy: -8.696 tors. eta vs tors. theta energy: -13.301 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: 7 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -190.039394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.039394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.039394 (E_RNA) where: Base-Base interactions energy: -133.325 where: short stacking energy: -52.397 Base-Backbone interact. energy: -0.014 local terms energy: -56.701011 where: bonds (distance) C4'-P energy: -13.148 bonds (distance) P-C4' energy: -11.331 flat angles C4'-P-C4' energy: -12.296 flat angles P-C4'-P energy: -6.315 tors. eta vs tors. theta energy: -13.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -182.361458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.361458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.361458 (E_RNA) where: Base-Base interactions energy: -119.311 where: short stacking energy: -54.897 Base-Backbone interact. energy: -0.238 local terms energy: -62.811703 where: bonds (distance) C4'-P energy: -11.512 bonds (distance) P-C4' energy: -11.398 flat angles C4'-P-C4' energy: -14.429 flat angles P-C4'-P energy: -10.283 tors. eta vs tors. theta energy: -15.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -197.708250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.708250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.708250 (E_RNA) where: Base-Base interactions energy: -132.983 where: short stacking energy: -53.636 Base-Backbone interact. energy: -0.012 local terms energy: -64.712817 where: bonds (distance) C4'-P energy: -10.742 bonds (distance) P-C4' energy: -12.493 flat angles C4'-P-C4' energy: -14.208 flat angles P-C4'-P energy: -9.154 tors. eta vs tors. theta energy: -18.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -92.296710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.296710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.296710 (E_RNA) where: Base-Base interactions energy: -43.002 where: short stacking energy: -40.338 Base-Backbone interact. energy: -0.003 local terms energy: -49.292625 where: bonds (distance) C4'-P energy: -10.017 bonds (distance) P-C4' energy: -12.570 flat angles C4'-P-C4' energy: -9.404 flat angles P-C4'-P energy: -5.863 tors. eta vs tors. theta energy: -11.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -93.592086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.592086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.592086 (E_RNA) where: Base-Base interactions energy: -47.999 where: short stacking energy: -36.424 Base-Backbone interact. energy: -0.104 local terms energy: -45.489659 where: bonds (distance) C4'-P energy: -7.133 bonds (distance) P-C4' energy: -10.570 flat angles C4'-P-C4' energy: -8.350 flat angles P-C4'-P energy: -11.519 tors. eta vs tors. theta energy: -7.917 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: 8 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -70.929003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.929003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.929003 (E_RNA) where: Base-Base interactions energy: -26.519 where: short stacking energy: -26.445 Base-Backbone interact. energy: -0.907 local terms energy: -43.503033 where: bonds (distance) C4'-P energy: -7.538 bonds (distance) P-C4' energy: -13.405 flat angles C4'-P-C4' energy: -6.799 flat angles P-C4'-P energy: -10.637 tors. eta vs tors. theta energy: -5.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -71.929517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.929517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.929517 (E_RNA) where: Base-Base interactions energy: -29.141 where: short stacking energy: -23.477 Base-Backbone interact. energy: -1.430 local terms energy: -41.358115 where: bonds (distance) C4'-P energy: -9.340 bonds (distance) P-C4' energy: -11.683 flat angles C4'-P-C4' energy: -11.294 flat angles P-C4'-P energy: -7.506 tors. eta vs tors. theta energy: -1.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -64.555065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.555065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.555065 (E_RNA) where: Base-Base interactions energy: -27.935 where: short stacking energy: -8.045 Base-Backbone interact. energy: -0.045 local terms energy: -36.574733 where: bonds (distance) C4'-P energy: -10.701 bonds (distance) P-C4' energy: -12.360 flat angles C4'-P-C4' energy: -13.073 flat angles P-C4'-P energy: -4.619 tors. eta vs tors. theta energy: 4.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -209.667134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.667134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.667134 (E_RNA) where: Base-Base interactions energy: -144.304 where: short stacking energy: -59.255 Base-Backbone interact. energy: -0.002 local terms energy: -65.361129 where: bonds (distance) C4'-P energy: -13.879 bonds (distance) P-C4' energy: -13.973 flat angles C4'-P-C4' energy: -11.814 flat angles P-C4'-P energy: -7.080 tors. eta vs tors. theta energy: -18.615 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: 7 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -200.833517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.833517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.833517 (E_RNA) where: Base-Base interactions energy: -135.416 where: short stacking energy: -60.754 Base-Backbone interact. energy: -0.005 local terms energy: -65.413107 where: bonds (distance) C4'-P energy: -11.998 bonds (distance) P-C4' energy: -14.061 flat angles C4'-P-C4' energy: -14.239 flat angles P-C4'-P energy: -8.789 tors. eta vs tors. theta energy: -16.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -192.700863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.700863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.700863 (E_RNA) where: Base-Base interactions energy: -134.879 where: short stacking energy: -57.300 Base-Backbone interact. energy: -0.011 local terms energy: -57.811390 where: bonds (distance) C4'-P energy: -11.297 bonds (distance) P-C4' energy: -12.880 flat angles C4'-P-C4' energy: -11.833 flat angles P-C4'-P energy: -7.804 tors. eta vs tors. theta energy: -13.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -197.837427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.837427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.837427 (E_RNA) where: Base-Base interactions energy: -133.556 where: short stacking energy: -56.909 Base-Backbone interact. energy: -0.122 local terms energy: -64.159748 where: bonds (distance) C4'-P energy: -10.932 bonds (distance) P-C4' energy: -13.557 flat angles C4'-P-C4' energy: -12.707 flat angles P-C4'-P energy: -11.748 tors. eta vs tors. theta energy: -15.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -185.804210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.804210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.804210 (E_RNA) where: Base-Base interactions energy: -122.917 where: short stacking energy: -55.934 Base-Backbone interact. energy: -0.002 local terms energy: -62.885161 where: bonds (distance) C4'-P energy: -12.697 bonds (distance) P-C4' energy: -11.362 flat angles C4'-P-C4' energy: -14.285 flat angles P-C4'-P energy: -8.385 tors. eta vs tors. theta energy: -16.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -73.157494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.157494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.157494 (E_RNA) where: Base-Base interactions energy: -25.670 where: short stacking energy: -25.670 Base-Backbone interact. energy: 3.093 local terms energy: -50.581037 where: bonds (distance) C4'-P energy: -11.146 bonds (distance) P-C4' energy: -11.961 flat angles C4'-P-C4' energy: -12.339 flat angles P-C4'-P energy: -9.666 tors. eta vs tors. theta energy: -5.469 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: 3 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -81.237723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.237723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.237723 (E_RNA) where: Base-Base interactions energy: -34.523 where: short stacking energy: -34.523 Base-Backbone interact. energy: -0.100 local terms energy: -46.614153 where: bonds (distance) C4'-P energy: -10.697 bonds (distance) P-C4' energy: -14.779 flat angles C4'-P-C4' energy: -9.894 flat angles P-C4'-P energy: -6.102 tors. eta vs tors. theta energy: -5.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -72.321197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.321197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.321197 (E_RNA) where: Base-Base interactions energy: -23.206 where: short stacking energy: -19.336 Base-Backbone interact. energy: -0.102 local terms energy: -49.013857 where: bonds (distance) C4'-P energy: -12.066 bonds (distance) P-C4' energy: -11.776 flat angles C4'-P-C4' energy: -12.801 flat angles P-C4'-P energy: -9.210 tors. eta vs tors. theta energy: -3.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -68.276393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.276393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.276393 (E_RNA) where: Base-Base interactions energy: -28.863 where: short stacking energy: -16.760 Base-Backbone interact. energy: -0.034 local terms energy: -39.379974 where: bonds (distance) C4'-P energy: -12.167 bonds (distance) P-C4' energy: -7.831 flat angles C4'-P-C4' energy: -10.661 flat angles P-C4'-P energy: -7.666 tors. eta vs tors. theta energy: -1.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -62.959799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.959799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.959799 (E_RNA) where: Base-Base interactions energy: -17.536 where: short stacking energy: -17.975 Base-Backbone interact. energy: -0.055 local terms energy: -45.368873 where: bonds (distance) C4'-P energy: -13.694 bonds (distance) P-C4' energy: -8.375 flat angles C4'-P-C4' energy: -9.683 flat angles P-C4'-P energy: -9.550 tors. eta vs tors. theta energy: -4.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -200.511910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.511910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.511910 (E_RNA) where: Base-Base interactions energy: -135.297 where: short stacking energy: -54.641 Base-Backbone interact. energy: -0.672 local terms energy: -64.542962 where: bonds (distance) C4'-P energy: -13.354 bonds (distance) P-C4' energy: -12.697 flat angles C4'-P-C4' energy: -14.698 flat angles P-C4'-P energy: -7.730 tors. eta vs tors. theta energy: -16.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -200.483590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.483590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.483590 (E_RNA) where: Base-Base interactions energy: -142.129 where: short stacking energy: -60.372 Base-Backbone interact. energy: -0.000 local terms energy: -58.354527 where: bonds (distance) C4'-P energy: -12.486 bonds (distance) P-C4' energy: -9.654 flat angles C4'-P-C4' energy: -11.660 flat angles P-C4'-P energy: -8.375 tors. eta vs tors. theta energy: -16.180 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: 2 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -203.813548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.813548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.813548 (E_RNA) where: Base-Base interactions energy: -139.197 where: short stacking energy: -62.267 Base-Backbone interact. energy: -0.041 local terms energy: -64.575655 where: bonds (distance) C4'-P energy: -10.717 bonds (distance) P-C4' energy: -12.559 flat angles C4'-P-C4' energy: -13.132 flat angles P-C4'-P energy: -11.432 tors. eta vs tors. theta energy: -16.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -188.011601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.011601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.011601 (E_RNA) where: Base-Base interactions energy: -126.219 where: short stacking energy: -50.859 Base-Backbone interact. energy: -0.031 local terms energy: -61.761695 where: bonds (distance) C4'-P energy: -11.736 bonds (distance) P-C4' energy: -14.159 flat angles C4'-P-C4' energy: -12.782 flat angles P-C4'-P energy: -7.010 tors. eta vs tors. theta energy: -16.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -190.187779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.187779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.187779 (E_RNA) where: Base-Base interactions energy: -134.683 where: short stacking energy: -60.093 Base-Backbone interact. energy: -0.815 local terms energy: -54.690133 where: bonds (distance) C4'-P energy: -8.254 bonds (distance) P-C4' energy: -10.935 flat angles C4'-P-C4' energy: -9.688 flat angles P-C4'-P energy: -7.712 tors. eta vs tors. theta energy: -18.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -70.195711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.195711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.195711 (E_RNA) where: Base-Base interactions energy: -26.498 where: short stacking energy: -25.279 Base-Backbone interact. energy: -0.176 local terms energy: -43.521537 where: bonds (distance) C4'-P energy: -9.939 bonds (distance) P-C4' energy: -11.175 flat angles C4'-P-C4' energy: -12.049 flat angles P-C4'-P energy: -6.909 tors. eta vs tors. theta energy: -3.449 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: 8 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -79.283576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.283576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.283576 (E_RNA) where: Base-Base interactions energy: -32.072 where: short stacking energy: -28.951 Base-Backbone interact. energy: -0.067 local terms energy: -47.144836 where: bonds (distance) C4'-P energy: -6.085 bonds (distance) P-C4' energy: -12.619 flat angles C4'-P-C4' energy: -11.774 flat angles P-C4'-P energy: -10.203 tors. eta vs tors. theta energy: -6.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -66.330372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.330372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.330372 (E_RNA) where: Base-Base interactions energy: -20.637 where: short stacking energy: -11.609 Base-Backbone interact. energy: -0.065 local terms energy: -45.628649 where: bonds (distance) C4'-P energy: -13.549 bonds (distance) P-C4' energy: -9.559 flat angles C4'-P-C4' energy: -10.316 flat angles P-C4'-P energy: -10.301 tors. eta vs tors. theta energy: -1.904 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: 9, replica: 1 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -66.280811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.280811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.280811 (E_RNA) where: Base-Base interactions energy: -15.191 where: short stacking energy: -13.626 Base-Backbone interact. energy: -0.073 local terms energy: -51.016732 where: bonds (distance) C4'-P energy: -14.526 bonds (distance) P-C4' energy: -12.560 flat angles C4'-P-C4' energy: -10.021 flat angles P-C4'-P energy: -8.925 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: 88 Temperature: 1.350000 Total energy: -66.123780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.123780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.123780 (E_RNA) where: Base-Base interactions energy: -32.182 where: short stacking energy: -17.389 Base-Backbone interact. energy: 0.587 local terms energy: -34.528152 where: bonds (distance) C4'-P energy: -11.492 bonds (distance) P-C4' energy: -12.860 flat angles C4'-P-C4' energy: -9.856 flat angles P-C4'-P energy: -2.618 tors. eta vs tors. theta energy: 2.298 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: 5 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -211.200952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.200952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.200952 (E_RNA) where: Base-Base interactions energy: -145.414 where: short stacking energy: -60.863 Base-Backbone interact. energy: -0.064 local terms energy: -65.723367 where: bonds (distance) C4'-P energy: -13.540 bonds (distance) P-C4' energy: -13.874 flat angles C4'-P-C4' energy: -13.717 flat angles P-C4'-P energy: -7.128 tors. eta vs tors. theta energy: -17.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -200.997736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.997736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.997736 (E_RNA) where: Base-Base interactions energy: -139.361 where: short stacking energy: -63.294 Base-Backbone interact. energy: -0.181 local terms energy: -61.455925 where: bonds (distance) C4'-P energy: -9.425 bonds (distance) P-C4' energy: -12.690 flat angles C4'-P-C4' energy: -13.590 flat angles P-C4'-P energy: -8.843 tors. eta vs tors. theta energy: -16.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -195.894368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.894368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.894368 (E_RNA) where: Base-Base interactions energy: -136.647 where: short stacking energy: -58.168 Base-Backbone interact. energy: -0.006 local terms energy: -59.241481 where: bonds (distance) C4'-P energy: -11.330 bonds (distance) P-C4' energy: -12.250 flat angles C4'-P-C4' energy: -11.540 flat angles P-C4'-P energy: -8.809 tors. eta vs tors. theta energy: -15.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -196.981787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.981787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.981787 (E_RNA) where: Base-Base interactions energy: -137.870 where: short stacking energy: -56.613 Base-Backbone interact. energy: -0.000 local terms energy: -59.111571 where: bonds (distance) C4'-P energy: -11.736 bonds (distance) P-C4' energy: -14.793 flat angles C4'-P-C4' energy: -10.714 flat angles P-C4'-P energy: -8.866 tors. eta vs tors. theta energy: -13.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -196.835312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.835312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.835312 (E_RNA) where: Base-Base interactions energy: -133.931 where: short stacking energy: -54.525 Base-Backbone interact. energy: -0.013 local terms energy: -62.890621 where: bonds (distance) C4'-P energy: -12.424 bonds (distance) P-C4' energy: -14.318 flat angles C4'-P-C4' energy: -11.671 flat angles P-C4'-P energy: -8.664 tors. eta vs tors. theta energy: -15.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -78.147614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.147614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.147614 (E_RNA) where: Base-Base interactions energy: -30.754 where: short stacking energy: -22.792 Base-Backbone interact. energy: -0.104 local terms energy: -47.289270 where: bonds (distance) C4'-P energy: -12.974 bonds (distance) P-C4' energy: -12.378 flat angles C4'-P-C4' energy: -8.907 flat angles P-C4'-P energy: -8.011 tors. eta vs tors. theta energy: -5.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -74.014461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.014461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.014461 (E_RNA) where: Base-Base interactions energy: -29.035 where: short stacking energy: -26.229 Base-Backbone interact. energy: -0.092 local terms energy: -44.886799 where: bonds (distance) C4'-P energy: -12.447 bonds (distance) P-C4' energy: -10.697 flat angles C4'-P-C4' energy: -9.129 flat angles P-C4'-P energy: -7.337 tors. eta vs tors. theta energy: -5.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -92.137293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.137293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.137293 (E_RNA) where: Base-Base interactions energy: -39.866 where: short stacking energy: -39.866 Base-Backbone interact. energy: -0.001 local terms energy: -52.270146 where: bonds (distance) C4'-P energy: -10.940 bonds (distance) P-C4' energy: -9.175 flat angles C4'-P-C4' energy: -12.441 flat angles P-C4'-P energy: -7.392 tors. eta vs tors. theta energy: -12.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -68.376570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.376570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.376570 (E_RNA) where: Base-Base interactions energy: -36.566 where: short stacking energy: -17.192 Base-Backbone interact. energy: -0.097 local terms energy: -31.713615 where: bonds (distance) C4'-P energy: -11.633 bonds (distance) P-C4' energy: -6.711 flat angles C4'-P-C4' energy: -7.242 flat angles P-C4'-P energy: -2.770 tors. eta vs tors. theta energy: -3.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -65.298701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.298701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.298701 (E_RNA) where: Base-Base interactions energy: -24.391 where: short stacking energy: -20.978 Base-Backbone interact. energy: -0.005 local terms energy: -40.902656 where: bonds (distance) C4'-P energy: -8.590 bonds (distance) P-C4' energy: -12.870 flat angles C4'-P-C4' energy: -9.460 flat angles P-C4'-P energy: -8.970 tors. eta vs tors. theta energy: -1.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -197.652241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.652241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.652241 (E_RNA) where: Base-Base interactions energy: -136.340 where: short stacking energy: -55.257 Base-Backbone interact. energy: -0.001 local terms energy: -61.311260 where: bonds (distance) C4'-P energy: -12.203 bonds (distance) P-C4' energy: -11.915 flat angles C4'-P-C4' energy: -11.164 flat angles P-C4'-P energy: -9.243 tors. eta vs tors. theta energy: -16.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -195.953210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.953210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.953210 (E_RNA) where: Base-Base interactions energy: -136.848 where: short stacking energy: -47.929 Base-Backbone interact. energy: -0.262 local terms energy: -58.842597 where: bonds (distance) C4'-P energy: -9.645 bonds (distance) P-C4' energy: -14.882 flat angles C4'-P-C4' energy: -9.919 flat angles P-C4'-P energy: -8.475 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: 3, replica: 9 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -197.947103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.947103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.947103 (E_RNA) where: Base-Base interactions energy: -136.782 where: short stacking energy: -60.688 Base-Backbone interact. energy: -0.096 local terms energy: -61.069957 where: bonds (distance) C4'-P energy: -8.855 bonds (distance) P-C4' energy: -14.674 flat angles C4'-P-C4' energy: -14.451 flat angles P-C4'-P energy: -7.410 tors. eta vs tors. theta energy: -15.680 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: 7 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -190.196837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.196837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.196837 (E_RNA) where: Base-Base interactions energy: -132.411 where: short stacking energy: -54.449 Base-Backbone interact. energy: -0.096 local terms energy: -57.689421 where: bonds (distance) C4'-P energy: -5.093 bonds (distance) P-C4' energy: -13.884 flat angles C4'-P-C4' energy: -13.256 flat angles P-C4'-P energy: -10.033 tors. eta vs tors. theta energy: -15.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -174.518640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.518640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.518640 (E_RNA) where: Base-Base interactions energy: -118.269 where: short stacking energy: -49.988 Base-Backbone interact. energy: -0.039 local terms energy: -56.211441 where: bonds (distance) C4'-P energy: -10.051 bonds (distance) P-C4' energy: -11.705 flat angles C4'-P-C4' energy: -13.091 flat angles P-C4'-P energy: -5.901 tors. eta vs tors. theta energy: -15.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -79.431820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.431820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.431820 (E_RNA) where: Base-Base interactions energy: -27.865 where: short stacking energy: -27.865 Base-Backbone interact. energy: -0.435 local terms energy: -51.131521 where: bonds (distance) C4'-P energy: -14.529 bonds (distance) P-C4' energy: -12.852 flat angles C4'-P-C4' energy: -11.655 flat angles P-C4'-P energy: -8.036 tors. eta vs tors. theta energy: -4.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -75.102127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.102127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.102127 (E_RNA) where: Base-Base interactions energy: -31.939 where: short stacking energy: -29.329 Base-Backbone interact. energy: -0.195 local terms energy: -42.968174 where: bonds (distance) C4'-P energy: -9.663 bonds (distance) P-C4' energy: -11.297 flat angles C4'-P-C4' energy: -8.733 flat angles P-C4'-P energy: -7.619 tors. eta vs tors. theta energy: -5.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -74.644683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.644683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.644683 (E_RNA) where: Base-Base interactions energy: -33.147 where: short stacking energy: -32.087 Base-Backbone interact. energy: -0.144 local terms energy: -41.353633 where: bonds (distance) C4'-P energy: -9.893 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -9.135 flat angles P-C4'-P energy: -7.339 tors. eta vs tors. theta energy: -5.870 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: 10 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -70.917939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.917939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.917939 (E_RNA) where: Base-Base interactions energy: -30.102 where: short stacking energy: -25.393 Base-Backbone interact. energy: -0.213 local terms energy: -40.602546 where: bonds (distance) C4'-P energy: -10.548 bonds (distance) P-C4' energy: -10.325 flat angles C4'-P-C4' energy: -12.828 flat angles P-C4'-P energy: -5.378 tors. eta vs tors. theta energy: -1.524 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: 3 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -62.255772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.255772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.255772 (E_RNA) where: Base-Base interactions energy: -18.987 where: short stacking energy: -18.340 Base-Backbone interact. energy: 0.015 local terms energy: -43.283485 where: bonds (distance) C4'-P energy: -12.476 bonds (distance) P-C4' energy: -11.588 flat angles C4'-P-C4' energy: -5.674 flat angles P-C4'-P energy: -10.203 tors. eta vs tors. theta energy: -3.342 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: 1, replica: 2 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -206.300247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.300247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.300247 (E_RNA) where: Base-Base interactions energy: -144.208 where: short stacking energy: -58.305 Base-Backbone interact. energy: -0.101 local terms energy: -61.990454 where: bonds (distance) C4'-P energy: -9.551 bonds (distance) P-C4' energy: -12.184 flat angles C4'-P-C4' energy: -14.668 flat angles P-C4'-P energy: -7.224 tors. eta vs tors. theta energy: -18.364 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: 9 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -203.050632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.050632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.050632 (E_RNA) where: Base-Base interactions energy: -137.790 where: short stacking energy: -58.901 Base-Backbone interact. energy: -0.001 local terms energy: -65.259493 where: bonds (distance) C4'-P energy: -12.274 bonds (distance) P-C4' energy: -13.286 flat angles C4'-P-C4' energy: -13.421 flat angles P-C4'-P energy: -8.576 tors. eta vs tors. theta energy: -17.703 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: 5 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -198.332898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.332898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.332898 (E_RNA) where: Base-Base interactions energy: -137.966 where: short stacking energy: -63.189 Base-Backbone interact. energy: -0.007 local terms energy: -60.359763 where: bonds (distance) C4'-P energy: -9.802 bonds (distance) P-C4' energy: -12.426 flat angles C4'-P-C4' energy: -12.384 flat angles P-C4'-P energy: -10.339 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: 4, replica: 6 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -188.753273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.753273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.753273 (E_RNA) where: Base-Base interactions energy: -131.224 where: short stacking energy: -54.979 Base-Backbone interact. energy: -0.011 local terms energy: -57.518378 where: bonds (distance) C4'-P energy: -7.086 bonds (distance) P-C4' energy: -13.355 flat angles C4'-P-C4' energy: -12.795 flat angles P-C4'-P energy: -7.744 tors. eta vs tors. theta energy: -16.538 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: 7 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -185.498511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.498511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.498511 (E_RNA) where: Base-Base interactions energy: -125.378 where: short stacking energy: -54.486 Base-Backbone interact. energy: -0.051 local terms energy: -60.069695 where: bonds (distance) C4'-P energy: -12.713 bonds (distance) P-C4' energy: -11.557 flat angles C4'-P-C4' energy: -11.238 flat angles P-C4'-P energy: -9.629 tors. eta vs tors. theta energy: -14.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -75.519887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.519887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.519887 (E_RNA) where: Base-Base interactions energy: -32.363 where: short stacking energy: -29.645 Base-Backbone interact. energy: -0.092 local terms energy: -43.064633 where: bonds (distance) C4'-P energy: -9.126 bonds (distance) P-C4' energy: -12.052 flat angles C4'-P-C4' energy: -11.060 flat angles P-C4'-P energy: -8.845 tors. eta vs tors. theta energy: -1.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -82.961483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.961483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.961483 (E_RNA) where: Base-Base interactions energy: -39.265 where: short stacking energy: -31.133 Base-Backbone interact. energy: -0.160 local terms energy: -43.536101 where: bonds (distance) C4'-P energy: -8.615 bonds (distance) P-C4' energy: -11.512 flat angles C4'-P-C4' energy: -11.048 flat angles P-C4'-P energy: -5.978 tors. eta vs tors. theta energy: -6.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -64.180593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.180593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.180593 (E_RNA) where: Base-Base interactions energy: -27.159 where: short stacking energy: -20.488 Base-Backbone interact. energy: -0.127 local terms energy: -36.894009 where: bonds (distance) C4'-P energy: -7.505 bonds (distance) P-C4' energy: -14.438 flat angles C4'-P-C4' energy: -12.006 flat angles P-C4'-P energy: -3.798 tors. eta vs tors. theta energy: 0.853 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: -67.176800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.176800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.176800 (E_RNA) where: Base-Base interactions energy: -20.260 where: short stacking energy: -20.260 Base-Backbone interact. energy: -0.105 local terms energy: -46.812209 where: bonds (distance) C4'-P energy: -11.605 bonds (distance) P-C4' energy: -12.926 flat angles C4'-P-C4' energy: -11.266 flat angles P-C4'-P energy: -7.932 tors. eta vs tors. theta energy: -3.083 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: 3 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -63.360980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.360980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.360980 (E_RNA) where: Base-Base interactions energy: -22.247 where: short stacking energy: -22.347 Base-Backbone interact. energy: -0.053 local terms energy: -41.060880 where: bonds (distance) C4'-P energy: -11.665 bonds (distance) P-C4' energy: -8.979 flat angles C4'-P-C4' energy: -10.671 flat angles P-C4'-P energy: -9.008 tors. eta vs tors. theta energy: -0.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -200.302084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.302084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.302084 (E_RNA) where: Base-Base interactions energy: -133.863 where: short stacking energy: -58.718 Base-Backbone interact. energy: -0.003 local terms energy: -66.436596 where: bonds (distance) C4'-P energy: -14.323 bonds (distance) P-C4' energy: -12.015 flat angles C4'-P-C4' energy: -12.519 flat angles P-C4'-P energy: -10.577 tors. eta vs tors. theta energy: -17.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -202.660577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.660577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.660577 (E_RNA) where: Base-Base interactions energy: -137.528 where: short stacking energy: -59.401 Base-Backbone interact. energy: 0.832 local terms energy: -65.965010 where: bonds (distance) C4'-P energy: -11.749 bonds (distance) P-C4' energy: -14.005 flat angles C4'-P-C4' energy: -12.169 flat angles P-C4'-P energy: -11.347 tors. eta vs tors. theta energy: -16.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -188.012492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.012492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.012492 (E_RNA) where: Base-Base interactions energy: -126.712 where: short stacking energy: -54.953 Base-Backbone interact. energy: -0.943 local terms energy: -60.357059 where: bonds (distance) C4'-P energy: -9.492 bonds (distance) P-C4' energy: -13.597 flat angles C4'-P-C4' energy: -13.030 flat angles P-C4'-P energy: -9.755 tors. eta vs tors. theta energy: -14.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -191.126798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.126798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.126798 (E_RNA) where: Base-Base interactions energy: -127.238 where: short stacking energy: -59.146 Base-Backbone interact. energy: -0.002 local terms energy: -63.887188 where: bonds (distance) C4'-P energy: -9.699 bonds (distance) P-C4' energy: -13.867 flat angles C4'-P-C4' energy: -13.238 flat angles P-C4'-P energy: -11.112 tors. eta vs tors. theta energy: -15.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -186.929719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.929719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.929719 (E_RNA) where: Base-Base interactions energy: -120.111 where: short stacking energy: -54.676 Base-Backbone interact. energy: -0.043 local terms energy: -66.775321 where: bonds (distance) C4'-P energy: -12.245 bonds (distance) P-C4' energy: -15.333 flat angles C4'-P-C4' energy: -12.132 flat angles P-C4'-P energy: -11.086 tors. eta vs tors. theta energy: -15.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -82.149859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.149859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.149859 (E_RNA) where: Base-Base interactions energy: -31.670 where: short stacking energy: -31.670 Base-Backbone interact. energy: -0.021 local terms energy: -50.458071 where: bonds (distance) C4'-P energy: -11.472 bonds (distance) P-C4' energy: -11.545 flat angles C4'-P-C4' energy: -10.290 flat angles P-C4'-P energy: -7.224 tors. eta vs tors. theta energy: -9.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -123.834477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.834477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.834477 (E_RNA) where: Base-Base interactions energy: -76.684 where: short stacking energy: -44.031 Base-Backbone interact. energy: -0.013 local terms energy: -47.137013 where: bonds (distance) C4'-P energy: -10.097 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -12.395 flat angles P-C4'-P energy: -8.778 tors. eta vs tors. theta energy: -7.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -102.808747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.808747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.808747 (E_RNA) where: Base-Base interactions energy: -53.392 where: short stacking energy: -30.453 Base-Backbone interact. energy: -0.105 local terms energy: -49.311675 where: bonds (distance) C4'-P energy: -13.736 bonds (distance) P-C4' energy: -13.011 flat angles C4'-P-C4' energy: -4.805 flat angles P-C4'-P energy: -9.949 tors. eta vs tors. theta energy: -7.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -64.270379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.270379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.270379 (E_RNA) where: Base-Base interactions energy: -22.288 where: short stacking energy: -16.059 Base-Backbone interact. energy: -0.139 local terms energy: -41.843379 where: bonds (distance) C4'-P energy: -13.521 bonds (distance) P-C4' energy: -12.419 flat angles C4'-P-C4' energy: -13.983 flat angles P-C4'-P energy: -5.871 tors. eta vs tors. theta energy: 3.950 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: 3 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -65.431198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.431198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.431198 (E_RNA) where: Base-Base interactions energy: -26.187 where: short stacking energy: -20.795 Base-Backbone interact. energy: -0.112 local terms energy: -39.132594 where: bonds (distance) C4'-P energy: -10.851 bonds (distance) P-C4' energy: -9.473 flat angles C4'-P-C4' energy: -11.004 flat angles P-C4'-P energy: -4.000 tors. eta vs tors. theta energy: -3.805 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: 9 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -194.948068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.948068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.948068 (E_RNA) where: Base-Base interactions energy: -136.904 where: short stacking energy: -57.651 Base-Backbone interact. energy: -0.099 local terms energy: -57.945230 where: bonds (distance) C4'-P energy: -11.470 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -13.546 flat angles P-C4'-P energy: -9.330 tors. eta vs tors. theta energy: -16.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -195.450935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.450935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.450935 (E_RNA) where: Base-Base interactions energy: -129.029 where: short stacking energy: -58.080 Base-Backbone interact. energy: -0.053 local terms energy: -66.368928 where: bonds (distance) C4'-P energy: -11.143 bonds (distance) P-C4' energy: -12.430 flat angles C4'-P-C4' energy: -14.947 flat angles P-C4'-P energy: -10.755 tors. eta vs tors. theta energy: -17.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -199.523190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.523190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.523190 (E_RNA) where: Base-Base interactions energy: -138.135 where: short stacking energy: -58.299 Base-Backbone interact. energy: -0.060 local terms energy: -61.328513 where: bonds (distance) C4'-P energy: -13.122 bonds (distance) P-C4' energy: -12.690 flat angles C4'-P-C4' energy: -13.794 flat angles P-C4'-P energy: -4.006 tors. eta vs tors. theta energy: -17.716 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: 7 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -198.515109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.515109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.515109 (E_RNA) where: Base-Base interactions energy: -141.007 where: short stacking energy: -62.372 Base-Backbone interact. energy: -0.001 local terms energy: -57.506666 where: bonds (distance) C4'-P energy: -11.288 bonds (distance) P-C4' energy: -10.637 flat angles C4'-P-C4' energy: -11.022 flat angles P-C4'-P energy: -7.058 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: 5, replica: 5 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -192.596914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.596914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.596914 (E_RNA) where: Base-Base interactions energy: -132.980 where: short stacking energy: -52.784 Base-Backbone interact. energy: -0.026 local terms energy: -59.591805 where: bonds (distance) C4'-P energy: -14.521 bonds (distance) P-C4' energy: -9.806 flat angles C4'-P-C4' energy: -12.158 flat angles P-C4'-P energy: -9.886 tors. eta vs tors. theta energy: -13.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -140.322463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.322463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.322463 (E_RNA) where: Base-Base interactions energy: -87.731 where: short stacking energy: -31.464 Base-Backbone interact. energy: -0.328 local terms energy: -52.263426 where: bonds (distance) C4'-P energy: -9.919 bonds (distance) P-C4' energy: -12.402 flat angles C4'-P-C4' energy: -14.059 flat angles P-C4'-P energy: -5.413 tors. eta vs tors. theta energy: -10.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -79.626727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.626727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.626727 (E_RNA) where: Base-Base interactions energy: -23.002 where: short stacking energy: -20.343 Base-Backbone interact. energy: -0.049 local terms energy: -56.576410 where: bonds (distance) C4'-P energy: -10.933 bonds (distance) P-C4' energy: -13.988 flat angles C4'-P-C4' energy: -14.153 flat angles P-C4'-P energy: -8.618 tors. eta vs tors. theta energy: -8.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -65.215672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.215672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.215672 (E_RNA) where: Base-Base interactions energy: -21.050 where: short stacking energy: -21.050 Base-Backbone interact. energy: -0.092 local terms energy: -44.074398 where: bonds (distance) C4'-P energy: -12.315 bonds (distance) P-C4' energy: -11.261 flat angles C4'-P-C4' energy: -10.983 flat angles P-C4'-P energy: -8.048 tors. eta vs tors. theta energy: -1.468 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: 93 Temperature: 1.300000 Total energy: -70.668096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.668096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.668096 (E_RNA) where: Base-Base interactions energy: -26.768 where: short stacking energy: -24.230 Base-Backbone interact. energy: -0.165 local terms energy: -43.735042 where: bonds (distance) C4'-P energy: -9.080 bonds (distance) P-C4' energy: -12.546 flat angles C4'-P-C4' energy: -12.319 flat angles P-C4'-P energy: -8.957 tors. eta vs tors. theta energy: -0.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -60.991253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.991253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.991253 (E_RNA) where: Base-Base interactions energy: -22.652 where: short stacking energy: -20.177 Base-Backbone interact. energy: -0.010 local terms energy: -38.328436 where: bonds (distance) C4'-P energy: -12.041 bonds (distance) P-C4' energy: -13.070 flat angles C4'-P-C4' energy: -10.901 flat angles P-C4'-P energy: -1.152 tors. eta vs tors. theta energy: -1.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -190.885786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.885786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.885786 (E_RNA) where: Base-Base interactions energy: -130.683 where: short stacking energy: -57.822 Base-Backbone interact. energy: -0.168 local terms energy: -60.034971 where: bonds (distance) C4'-P energy: -13.979 bonds (distance) P-C4' energy: -10.759 flat angles C4'-P-C4' energy: -12.718 flat angles P-C4'-P energy: -10.868 tors. eta vs tors. theta energy: -11.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -191.050774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.050774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.050774 (E_RNA) where: Base-Base interactions energy: -131.063 where: short stacking energy: -54.096 Base-Backbone interact. energy: -0.116 local terms energy: -59.871661 where: bonds (distance) C4'-P energy: -12.874 bonds (distance) P-C4' energy: -10.225 flat angles C4'-P-C4' energy: -10.379 flat angles P-C4'-P energy: -11.981 tors. eta vs tors. theta energy: -14.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -197.738836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.738836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.738836 (E_RNA) where: Base-Base interactions energy: -135.322 where: short stacking energy: -54.065 Base-Backbone interact. energy: -0.000 local terms energy: -62.416873 where: bonds (distance) C4'-P energy: -12.990 bonds (distance) P-C4' energy: -15.051 flat angles C4'-P-C4' energy: -10.353 flat angles P-C4'-P energy: -7.347 tors. eta vs tors. theta energy: -16.676 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: 2 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -194.011956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.011956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.011956 (E_RNA) where: Base-Base interactions energy: -131.869 where: short stacking energy: -55.595 Base-Backbone interact. energy: -0.297 local terms energy: -61.846213 where: bonds (distance) C4'-P energy: -10.093 bonds (distance) P-C4' energy: -13.509 flat angles C4'-P-C4' energy: -14.544 flat angles P-C4'-P energy: -5.304 tors. eta vs tors. theta energy: -18.397 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: 5, replica: 5 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -187.103668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.103668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.103668 (E_RNA) where: Base-Base interactions energy: -124.680 where: short stacking energy: -46.978 Base-Backbone interact. energy: -0.841 local terms energy: -61.582604 where: bonds (distance) C4'-P energy: -11.161 bonds (distance) P-C4' energy: -12.381 flat angles C4'-P-C4' energy: -12.974 flat angles P-C4'-P energy: -9.742 tors. eta vs tors. theta energy: -15.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -138.988687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.988687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.988687 (E_RNA) where: Base-Base interactions energy: -95.353 where: short stacking energy: -41.103 Base-Backbone interact. energy: 0.031 local terms energy: -43.667220 where: bonds (distance) C4'-P energy: -9.045 bonds (distance) P-C4' energy: -12.419 flat angles C4'-P-C4' energy: -7.509 flat angles P-C4'-P energy: -7.330 tors. eta vs tors. theta energy: -7.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -79.512737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.512737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.512737 (E_RNA) where: Base-Base interactions energy: -34.832 where: short stacking energy: -18.156 Base-Backbone interact. energy: -0.314 local terms energy: -44.366515 where: bonds (distance) C4'-P energy: -12.691 bonds (distance) P-C4' energy: -10.483 flat angles C4'-P-C4' energy: -11.916 flat angles P-C4'-P energy: -6.237 tors. eta vs tors. theta energy: -3.039 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: 8, replica: 1 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -73.189827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.189827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.189827 (E_RNA) where: Base-Base interactions energy: -29.513 where: short stacking energy: -26.664 Base-Backbone interact. energy: 0.332 local terms energy: -44.009592 where: bonds (distance) C4'-P energy: -12.904 bonds (distance) P-C4' energy: -6.816 flat angles C4'-P-C4' energy: -9.526 flat angles P-C4'-P energy: -11.893 tors. eta vs tors. theta energy: -2.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -63.815603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.815603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.815603 (E_RNA) where: Base-Base interactions energy: -20.445 where: short stacking energy: -20.445 Base-Backbone interact. energy: -0.116 local terms energy: -43.254200 where: bonds (distance) C4'-P energy: -12.659 bonds (distance) P-C4' energy: -11.542 flat angles C4'-P-C4' energy: -13.204 flat angles P-C4'-P energy: -4.230 tors. eta vs tors. theta energy: -1.619 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: 3 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -71.332047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.332047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.332047 (E_RNA) where: Base-Base interactions energy: -25.527 where: short stacking energy: -18.167 Base-Backbone interact. energy: -0.089 local terms energy: -45.716544 where: bonds (distance) C4'-P energy: -12.840 bonds (distance) P-C4' energy: -14.317 flat angles C4'-P-C4' energy: -10.430 flat angles P-C4'-P energy: -2.676 tors. eta vs tors. theta energy: -5.452 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: 6 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -193.934988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.934988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.934988 (E_RNA) where: Base-Base interactions energy: -128.464 where: short stacking energy: -50.574 Base-Backbone interact. energy: -0.069 local terms energy: -65.401794 where: bonds (distance) C4'-P energy: -11.173 bonds (distance) P-C4' energy: -14.356 flat angles C4'-P-C4' energy: -12.761 flat angles P-C4'-P energy: -12.357 tors. eta vs tors. theta energy: -14.756 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: 2, replica: 7 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -202.295466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.295466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.295466 (E_RNA) where: Base-Base interactions energy: -140.833 where: short stacking energy: -57.064 Base-Backbone interact. energy: -0.157 local terms energy: -61.305520 where: bonds (distance) C4'-P energy: -11.524 bonds (distance) P-C4' energy: -12.527 flat angles C4'-P-C4' energy: -11.649 flat angles P-C4'-P energy: -9.075 tors. eta vs tors. theta energy: -16.531 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: 95 Temperature: 1.000000 Total energy: -200.186036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.186036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.186036 (E_RNA) where: Base-Base interactions energy: -137.602 where: short stacking energy: -59.978 Base-Backbone interact. energy: -0.032 local terms energy: -62.552608 where: bonds (distance) C4'-P energy: -11.628 bonds (distance) P-C4' energy: -13.973 flat angles C4'-P-C4' energy: -14.050 flat angles P-C4'-P energy: -8.140 tors. eta vs tors. theta energy: -14.762 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: 2 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -200.590453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.590453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.590453 (E_RNA) where: Base-Base interactions energy: -133.755 where: short stacking energy: -57.107 Base-Backbone interact. energy: -0.356 local terms energy: -66.479652 where: bonds (distance) C4'-P energy: -10.833 bonds (distance) P-C4' energy: -15.147 flat angles C4'-P-C4' energy: -13.109 flat angles P-C4'-P energy: -10.850 tors. eta vs tors. theta energy: -16.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -177.759215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.759215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.759215 (E_RNA) where: Base-Base interactions energy: -123.388 where: short stacking energy: -48.158 Base-Backbone interact. energy: -0.016 local terms energy: -54.355141 where: bonds (distance) C4'-P energy: -13.300 bonds (distance) P-C4' energy: -9.930 flat angles C4'-P-C4' energy: -12.647 flat angles P-C4'-P energy: -6.284 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: 6, replica: 8 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -117.970953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.970953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.970953 (E_RNA) where: Base-Base interactions energy: -66.916 where: short stacking energy: -34.708 Base-Backbone interact. energy: 1.313 local terms energy: -52.367531 where: bonds (distance) C4'-P energy: -12.982 bonds (distance) P-C4' energy: -13.386 flat angles C4'-P-C4' energy: -10.100 flat angles P-C4'-P energy: -7.646 tors. eta vs tors. theta energy: -8.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -75.847128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.847128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.847128 (E_RNA) where: Base-Base interactions energy: -29.025 where: short stacking energy: -19.747 Base-Backbone interact. energy: -0.270 local terms energy: -46.552160 where: bonds (distance) C4'-P energy: -11.222 bonds (distance) P-C4' energy: -13.085 flat angles C4'-P-C4' energy: -8.054 flat angles P-C4'-P energy: -10.408 tors. eta vs tors. theta energy: -3.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -74.216682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.216682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.216682 (E_RNA) where: Base-Base interactions energy: -38.149 where: short stacking energy: -19.175 Base-Backbone interact. energy: -0.178 local terms energy: -35.890102 where: bonds (distance) C4'-P energy: -10.759 bonds (distance) P-C4' energy: -11.911 flat angles C4'-P-C4' energy: -9.739 flat angles P-C4'-P energy: -1.854 tors. eta vs tors. theta energy: -1.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -62.732700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.732700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.732700 (E_RNA) where: Base-Base interactions energy: -19.367 where: short stacking energy: -19.367 Base-Backbone interact. energy: -0.044 local terms energy: -43.321413 where: bonds (distance) C4'-P energy: -12.734 bonds (distance) P-C4' energy: -11.208 flat angles C4'-P-C4' energy: -10.464 flat angles P-C4'-P energy: -7.903 tors. eta vs tors. theta energy: -1.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -62.739852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.739852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.739852 (E_RNA) where: Base-Base interactions energy: -23.620 where: short stacking energy: -20.533 Base-Backbone interact. energy: -0.285 local terms energy: -38.834457 where: bonds (distance) C4'-P energy: -12.034 bonds (distance) P-C4' energy: -12.235 flat angles C4'-P-C4' energy: -5.968 flat angles P-C4'-P energy: -7.643 tors. eta vs tors. theta energy: -0.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -198.583496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.583496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.583496 (E_RNA) where: Base-Base interactions energy: -138.473 where: short stacking energy: -60.944 Base-Backbone interact. energy: -0.042 local terms energy: -60.068350 where: bonds (distance) C4'-P energy: -9.525 bonds (distance) P-C4' energy: -12.430 flat angles C4'-P-C4' energy: -12.630 flat angles P-C4'-P energy: -7.981 tors. eta vs tors. theta energy: -17.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -189.691388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.691388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.691388 (E_RNA) where: Base-Base interactions energy: -128.641 where: short stacking energy: -60.876 Base-Backbone interact. energy: -0.015 local terms energy: -61.035842 where: bonds (distance) C4'-P energy: -11.343 bonds (distance) P-C4' energy: -13.836 flat angles C4'-P-C4' energy: -10.565 flat angles P-C4'-P energy: -9.924 tors. eta vs tors. theta energy: -15.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -199.115874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.115874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.115874 (E_RNA) where: Base-Base interactions energy: -137.265 where: short stacking energy: -57.213 Base-Backbone interact. energy: 0.723 local terms energy: -62.574581 where: bonds (distance) C4'-P energy: -11.261 bonds (distance) P-C4' energy: -11.069 flat angles C4'-P-C4' energy: -13.924 flat angles P-C4'-P energy: -10.653 tors. eta vs tors. theta energy: -15.668 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: 9 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -190.174346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.174346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.174346 (E_RNA) where: Base-Base interactions energy: -130.885 where: short stacking energy: -53.247 Base-Backbone interact. energy: -0.086 local terms energy: -59.203775 where: bonds (distance) C4'-P energy: -11.971 bonds (distance) P-C4' energy: -11.594 flat angles C4'-P-C4' energy: -12.866 flat angles P-C4'-P energy: -6.116 tors. eta vs tors. theta energy: -16.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -182.590636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.590636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.590636 (E_RNA) where: Base-Base interactions energy: -123.826 where: short stacking energy: -50.818 Base-Backbone interact. energy: -0.003 local terms energy: -58.761275 where: bonds (distance) C4'-P energy: -12.001 bonds (distance) P-C4' energy: -13.063 flat angles C4'-P-C4' energy: -10.240 flat angles P-C4'-P energy: -8.620 tors. eta vs tors. theta energy: -14.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -132.648279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.648279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.648279 (E_RNA) where: Base-Base interactions energy: -81.108 where: short stacking energy: -37.553 Base-Backbone interact. energy: -0.281 local terms energy: -51.259234 where: bonds (distance) C4'-P energy: -11.093 bonds (distance) P-C4' energy: -11.349 flat angles C4'-P-C4' energy: -12.422 flat angles P-C4'-P energy: -7.455 tors. eta vs tors. theta energy: -8.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -82.067445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.067445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.067445 (E_RNA) where: Base-Base interactions energy: -42.169 where: short stacking energy: -18.937 Base-Backbone interact. energy: -0.132 local terms energy: -39.766551 where: bonds (distance) C4'-P energy: -11.238 bonds (distance) P-C4' energy: -11.227 flat angles C4'-P-C4' energy: -10.081 flat angles P-C4'-P energy: -9.208 tors. eta vs tors. theta energy: 1.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -71.574892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.574892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.574892 (E_RNA) where: Base-Base interactions energy: -31.284 where: short stacking energy: -31.284 Base-Backbone interact. energy: -0.106 local terms energy: -40.185154 where: bonds (distance) C4'-P energy: -8.727 bonds (distance) P-C4' energy: -14.370 flat angles C4'-P-C4' energy: -6.359 flat angles P-C4'-P energy: -7.839 tors. eta vs tors. theta energy: -2.889 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: 1 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -62.893059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.893059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.893059 (E_RNA) where: Base-Base interactions energy: -27.245 where: short stacking energy: -15.910 Base-Backbone interact. energy: -0.030 local terms energy: -35.618521 where: bonds (distance) C4'-P energy: -10.382 bonds (distance) P-C4' energy: -12.218 flat angles C4'-P-C4' energy: -6.361 flat angles P-C4'-P energy: -7.587 tors. eta vs tors. theta energy: 0.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -61.903544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.903544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.903544 (E_RNA) where: Base-Base interactions energy: -24.535 where: short stacking energy: -15.229 Base-Backbone interact. energy: -0.170 local terms energy: -37.197887 where: bonds (distance) C4'-P energy: -10.051 bonds (distance) P-C4' energy: -11.267 flat angles C4'-P-C4' energy: -7.966 flat angles P-C4'-P energy: -4.006 tors. eta vs tors. theta energy: -3.908 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: 7 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -199.760010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.760010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.760010 (E_RNA) where: Base-Base interactions energy: -141.643 where: short stacking energy: -56.851 Base-Backbone interact. energy: -0.196 local terms energy: -57.920767 where: bonds (distance) C4'-P energy: -9.889 bonds (distance) P-C4' energy: -9.731 flat angles C4'-P-C4' energy: -13.556 flat angles P-C4'-P energy: -6.853 tors. eta vs tors. theta energy: -17.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -203.312003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.312003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.312003 (E_RNA) where: Base-Base interactions energy: -133.669 where: short stacking energy: -55.146 Base-Backbone interact. energy: -1.176 local terms energy: -68.467471 where: bonds (distance) C4'-P energy: -13.194 bonds (distance) P-C4' energy: -15.069 flat angles C4'-P-C4' energy: -12.736 flat angles P-C4'-P energy: -10.102 tors. eta vs tors. theta energy: -17.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -190.932889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.932889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.932889 (E_RNA) where: Base-Base interactions energy: -131.413 where: short stacking energy: -53.903 Base-Backbone interact. energy: -0.005 local terms energy: -59.514845 where: bonds (distance) C4'-P energy: -9.620 bonds (distance) P-C4' energy: -14.141 flat angles C4'-P-C4' energy: -11.614 flat angles P-C4'-P energy: -10.504 tors. eta vs tors. theta energy: -13.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -195.456882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.456882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.456882 (E_RNA) where: Base-Base interactions energy: -135.537 where: short stacking energy: -58.992 Base-Backbone interact. energy: -0.002 local terms energy: -59.917966 where: bonds (distance) C4'-P energy: -10.441 bonds (distance) P-C4' energy: -9.927 flat angles C4'-P-C4' energy: -14.727 flat angles P-C4'-P energy: -9.950 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: 5, replica: 9 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -184.448161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.448161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.448161 (E_RNA) where: Base-Base interactions energy: -128.700 where: short stacking energy: -55.625 Base-Backbone interact. energy: -0.053 local terms energy: -55.694380 where: bonds (distance) C4'-P energy: -12.841 bonds (distance) P-C4' energy: -8.445 flat angles C4'-P-C4' energy: -12.901 flat angles P-C4'-P energy: -8.301 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: 6, replica: 8 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -136.988676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.988676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.988676 (E_RNA) where: Base-Base interactions energy: -88.252 where: short stacking energy: -31.742 Base-Backbone interact. energy: -0.680 local terms energy: -48.056964 where: bonds (distance) C4'-P energy: -11.277 bonds (distance) P-C4' energy: -12.828 flat angles C4'-P-C4' energy: -8.743 flat angles P-C4'-P energy: -4.474 tors. eta vs tors. theta energy: -10.735 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: 10 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -85.158994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.158994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.158994 (E_RNA) where: Base-Base interactions energy: -39.563 where: short stacking energy: -23.931 Base-Backbone interact. energy: -0.021 local terms energy: -45.574660 where: bonds (distance) C4'-P energy: -12.038 bonds (distance) P-C4' energy: -11.355 flat angles C4'-P-C4' energy: -10.035 flat angles P-C4'-P energy: -8.130 tors. eta vs tors. theta energy: -4.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -83.831813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.831813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.831813 (E_RNA) where: Base-Base interactions energy: -39.393 where: short stacking energy: -21.226 Base-Backbone interact. energy: -0.172 local terms energy: -44.267787 where: bonds (distance) C4'-P energy: -9.524 bonds (distance) P-C4' energy: -13.184 flat angles C4'-P-C4' energy: -10.165 flat angles P-C4'-P energy: -5.801 tors. eta vs tors. theta energy: -5.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -63.642422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.642422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.642422 (E_RNA) where: Base-Base interactions energy: -24.357 where: short stacking energy: -24.357 Base-Backbone interact. energy: -0.224 local terms energy: -39.060929 where: bonds (distance) C4'-P energy: -7.033 bonds (distance) P-C4' energy: -13.680 flat angles C4'-P-C4' energy: -9.302 flat angles P-C4'-P energy: -6.462 tors. eta vs tors. theta energy: -2.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -62.553052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.553052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.553052 (E_RNA) where: Base-Base interactions energy: -30.345 where: short stacking energy: -20.964 Base-Backbone interact. energy: -0.642 local terms energy: -31.566017 where: bonds (distance) C4'-P energy: -10.878 bonds (distance) P-C4' energy: -12.821 flat angles C4'-P-C4' energy: -7.444 flat angles P-C4'-P energy: -1.286 tors. eta vs tors. theta energy: 0.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -202.842443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.842443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.842443 (E_RNA) where: Base-Base interactions energy: -133.969 where: short stacking energy: -57.608 Base-Backbone interact. energy: -0.003 local terms energy: -68.869785 where: bonds (distance) C4'-P energy: -14.803 bonds (distance) P-C4' energy: -14.255 flat angles C4'-P-C4' energy: -13.531 flat angles P-C4'-P energy: -11.262 tors. eta vs tors. theta energy: -15.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -198.891377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.891377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.891377 (E_RNA) where: Base-Base interactions energy: -135.934 where: short stacking energy: -58.973 Base-Backbone interact. energy: -0.002 local terms energy: -62.955150 where: bonds (distance) C4'-P energy: -11.057 bonds (distance) P-C4' energy: -11.915 flat angles C4'-P-C4' energy: -13.351 flat angles P-C4'-P energy: -8.268 tors. eta vs tors. theta energy: -18.364 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: 3, replica: 5 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -199.084739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.084739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.084739 (E_RNA) where: Base-Base interactions energy: -137.221 where: short stacking energy: -60.624 Base-Backbone interact. energy: -0.001 local terms energy: -61.863160 where: bonds (distance) C4'-P energy: -13.193 bonds (distance) P-C4' energy: -13.616 flat angles C4'-P-C4' energy: -12.280 flat angles P-C4'-P energy: -7.466 tors. eta vs tors. theta energy: -15.309 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: 6 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -194.383340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.383340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.383340 (E_RNA) where: Base-Base interactions energy: -133.386 where: short stacking energy: -56.620 Base-Backbone interact. energy: -0.003 local terms energy: -60.994495 where: bonds (distance) C4'-P energy: -13.047 bonds (distance) P-C4' energy: -10.238 flat angles C4'-P-C4' energy: -10.856 flat angles P-C4'-P energy: -8.484 tors. eta vs tors. theta energy: -18.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -136.509646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.509646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.509646 (E_RNA) where: Base-Base interactions energy: -84.335 where: short stacking energy: -44.252 Base-Backbone interact. energy: -0.007 local terms energy: -52.168039 where: bonds (distance) C4'-P energy: -11.322 bonds (distance) P-C4' energy: -8.178 flat angles C4'-P-C4' energy: -10.655 flat angles P-C4'-P energy: -9.610 tors. eta vs tors. theta energy: -12.402 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: 9 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -182.906812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.906812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.906812 (E_RNA) where: Base-Base interactions energy: -129.574 where: short stacking energy: -51.232 Base-Backbone interact. energy: -0.019 local terms energy: -53.314259 where: bonds (distance) C4'-P energy: -9.171 bonds (distance) P-C4' energy: -14.832 flat angles C4'-P-C4' energy: -11.204 flat angles P-C4'-P energy: -4.848 tors. eta vs tors. theta energy: -13.259 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: 7, replica: 1 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -77.259171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.259171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.259171 (E_RNA) where: Base-Base interactions energy: -30.030 where: short stacking energy: -26.588 Base-Backbone interact. energy: -0.014 local terms energy: -47.215581 where: bonds (distance) C4'-P energy: -8.934 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -14.012 flat angles P-C4'-P energy: -9.647 tors. eta vs tors. theta energy: -5.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -68.448072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.448072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.448072 (E_RNA) where: Base-Base interactions energy: -28.343 where: short stacking energy: -28.343 Base-Backbone interact. energy: -0.231 local terms energy: -39.874603 where: bonds (distance) C4'-P energy: -8.784 bonds (distance) P-C4' energy: -8.548 flat angles C4'-P-C4' energy: -12.583 flat angles P-C4'-P energy: -8.102 tors. eta vs tors. theta energy: -1.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -67.016051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.016051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.016051 (E_RNA) where: Base-Base interactions energy: -28.370 where: short stacking energy: -28.370 Base-Backbone interact. energy: 0.720 local terms energy: -39.365689 where: bonds (distance) C4'-P energy: -8.712 bonds (distance) P-C4' energy: -10.197 flat angles C4'-P-C4' energy: -8.458 flat angles P-C4'-P energy: -4.932 tors. eta vs tors. theta energy: -7.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -60.599673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.599673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.599673 (E_RNA) where: Base-Base interactions energy: -18.229 where: short stacking energy: -18.229 Base-Backbone interact. energy: -0.162 local terms energy: -42.208349 where: bonds (distance) C4'-P energy: -9.641 bonds (distance) P-C4' energy: -13.003 flat angles C4'-P-C4' energy: -9.322 flat angles P-C4'-P energy: -9.335 tors. eta vs tors. theta energy: -0.908 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: 2 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -202.546280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.546280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.546280 (E_RNA) where: Base-Base interactions energy: -134.834 where: short stacking energy: -56.328 Base-Backbone interact. energy: -0.008 local terms energy: -67.704120 where: bonds (distance) C4'-P energy: -13.345 bonds (distance) P-C4' energy: -15.333 flat angles C4'-P-C4' energy: -13.415 flat angles P-C4'-P energy: -9.316 tors. eta vs tors. theta energy: -16.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -196.594232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.594232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.594232 (E_RNA) where: Base-Base interactions energy: -134.319 where: short stacking energy: -48.975 Base-Backbone interact. energy: -0.093 local terms energy: -62.182345 where: bonds (distance) C4'-P energy: -14.658 bonds (distance) P-C4' energy: -12.408 flat angles C4'-P-C4' energy: -12.145 flat angles P-C4'-P energy: -10.125 tors. eta vs tors. theta energy: -12.846 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: 3, replica: 7 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -198.513024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.513024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.513024 (E_RNA) where: Base-Base interactions energy: -133.942 where: short stacking energy: -57.528 Base-Backbone interact. energy: -0.001 local terms energy: -64.569290 where: bonds (distance) C4'-P energy: -12.842 bonds (distance) P-C4' energy: -10.908 flat angles C4'-P-C4' energy: -14.538 flat angles P-C4'-P energy: -10.483 tors. eta vs tors. theta energy: -15.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -192.139628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.139628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.139628 (E_RNA) where: Base-Base interactions energy: -138.569 where: short stacking energy: -55.659 Base-Backbone interact. energy: -0.003 local terms energy: -53.567804 where: bonds (distance) C4'-P energy: -8.783 bonds (distance) P-C4' energy: -8.185 flat angles C4'-P-C4' energy: -12.905 flat angles P-C4'-P energy: -8.720 tors. eta vs tors. theta energy: -14.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -164.255815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.255815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.255815 (E_RNA) where: Base-Base interactions energy: -109.644 where: short stacking energy: -49.037 Base-Backbone interact. energy: -0.120 local terms energy: -54.492049 where: bonds (distance) C4'-P energy: -9.695 bonds (distance) P-C4' energy: -13.085 flat angles C4'-P-C4' energy: -11.237 flat angles P-C4'-P energy: -6.214 tors. eta vs tors. theta energy: -14.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -173.084219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.084219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.084219 (E_RNA) where: Base-Base interactions energy: -124.557 where: short stacking energy: -51.221 Base-Backbone interact. energy: -0.067 local terms energy: -48.460444 where: bonds (distance) C4'-P energy: -9.847 bonds (distance) P-C4' energy: -10.096 flat angles C4'-P-C4' energy: -8.477 flat angles P-C4'-P energy: -9.329 tors. eta vs tors. theta energy: -10.712 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: 1 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -80.477462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.477462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.477462 (E_RNA) where: Base-Base interactions energy: -31.732 where: short stacking energy: -23.988 Base-Backbone interact. energy: -0.806 local terms energy: -47.939993 where: bonds (distance) C4'-P energy: -13.354 bonds (distance) P-C4' energy: -8.598 flat angles C4'-P-C4' energy: -12.912 flat angles P-C4'-P energy: -6.946 tors. eta vs tors. theta energy: -6.130 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: 3 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -72.882235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.882235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.882235 (E_RNA) where: Base-Base interactions energy: -30.655 where: short stacking energy: -28.817 Base-Backbone interact. energy: -0.055 local terms energy: -42.172496 where: bonds (distance) C4'-P energy: -8.776 bonds (distance) P-C4' energy: -12.895 flat angles C4'-P-C4' energy: -11.175 flat angles P-C4'-P energy: -6.008 tors. eta vs tors. theta energy: -3.319 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: 99 Temperature: 1.300000 Total energy: -64.390612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.390612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.390612 (E_RNA) where: Base-Base interactions energy: -23.292 where: short stacking energy: -17.420 Base-Backbone interact. energy: -0.135 local terms energy: -40.964175 where: bonds (distance) C4'-P energy: -12.386 bonds (distance) P-C4' energy: -12.877 flat angles C4'-P-C4' energy: -7.332 flat angles P-C4'-P energy: -5.840 tors. eta vs tors. theta energy: -2.529 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: 4 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -59.991005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.991005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.991005 (E_RNA) where: Base-Base interactions energy: -20.612 where: short stacking energy: -17.795 Base-Backbone interact. energy: -0.185 local terms energy: -39.194811 where: bonds (distance) C4'-P energy: -10.576 bonds (distance) P-C4' energy: -12.585 flat angles C4'-P-C4' energy: -10.472 flat angles P-C4'-P energy: -4.632 tors. eta vs tors. theta energy: -0.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -206.833748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.833748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.833748 (E_RNA) where: Base-Base interactions energy: -145.901 where: short stacking energy: -61.586 Base-Backbone interact. energy: 0.065 local terms energy: -60.997534 where: bonds (distance) C4'-P energy: -14.236 bonds (distance) P-C4' energy: -12.358 flat angles C4'-P-C4' energy: -13.161 flat angles P-C4'-P energy: -7.633 tors. eta vs tors. theta energy: -13.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -196.537179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.537179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.537179 (E_RNA) where: Base-Base interactions energy: -138.145 where: short stacking energy: -61.544 Base-Backbone interact. energy: 0.228 local terms energy: -58.620198 where: bonds (distance) C4'-P energy: -11.918 bonds (distance) P-C4' energy: -13.028 flat angles C4'-P-C4' energy: -10.531 flat angles P-C4'-P energy: -6.416 tors. eta vs tors. theta energy: -16.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -197.721907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.721907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.721907 (E_RNA) where: Base-Base interactions energy: -133.175 where: short stacking energy: -55.976 Base-Backbone interact. energy: -0.040 local terms energy: -64.507027 where: bonds (distance) C4'-P energy: -12.750 bonds (distance) P-C4' energy: -11.965 flat angles C4'-P-C4' energy: -12.827 flat angles P-C4'-P energy: -10.620 tors. eta vs tors. theta energy: -16.344 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: 7 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -194.519638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.519638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.519638 (E_RNA) where: Base-Base interactions energy: -133.057 where: short stacking energy: -55.805 Base-Backbone interact. energy: -0.002 local terms energy: -61.461199 where: bonds (distance) C4'-P energy: -8.004 bonds (distance) P-C4' energy: -13.532 flat angles C4'-P-C4' energy: -12.440 flat angles P-C4'-P energy: -10.802 tors. eta vs tors. theta energy: -16.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -179.393938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.393938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.393938 (E_RNA) where: Base-Base interactions energy: -124.676 where: short stacking energy: -47.111 Base-Backbone interact. energy: -0.024 local terms energy: -54.693535 where: bonds (distance) C4'-P energy: -11.214 bonds (distance) P-C4' energy: -14.371 flat angles C4'-P-C4' energy: -12.439 flat angles P-C4'-P energy: -7.947 tors. eta vs tors. theta energy: -8.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -146.964330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.964330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.964330 (E_RNA) where: Base-Base interactions energy: -93.542 where: short stacking energy: -42.484 Base-Backbone interact. energy: -1.587 local terms energy: -51.835623 where: bonds (distance) C4'-P energy: -13.284 bonds (distance) P-C4' energy: -8.069 flat angles C4'-P-C4' energy: -12.060 flat angles P-C4'-P energy: -7.699 tors. eta vs tors. theta energy: -10.724 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: 3 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -72.116681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.116681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.116681 (E_RNA) where: Base-Base interactions energy: -26.792 where: short stacking energy: -26.792 Base-Backbone interact. energy: -0.152 local terms energy: -45.173125 where: bonds (distance) C4'-P energy: -13.764 bonds (distance) P-C4' energy: -10.313 flat angles C4'-P-C4' energy: -8.395 flat angles P-C4'-P energy: -7.956 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: 8, replica: 1 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -72.618069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.618069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.618069 (E_RNA) where: Base-Base interactions energy: -32.795 where: short stacking energy: -16.940 Base-Backbone interact. energy: -0.272 local terms energy: -39.551130 where: bonds (distance) C4'-P energy: -10.245 bonds (distance) P-C4' energy: -13.674 flat angles C4'-P-C4' energy: -10.502 flat angles P-C4'-P energy: -6.097 tors. eta vs tors. theta energy: 0.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -60.054402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.054402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.054402 (E_RNA) where: Base-Base interactions energy: -18.482 where: short stacking energy: -14.474 Base-Backbone interact. energy: 0.529 local terms energy: -42.101414 where: bonds (distance) C4'-P energy: -13.782 bonds (distance) P-C4' energy: -9.539 flat angles C4'-P-C4' energy: -9.466 flat angles P-C4'-P energy: -7.578 tors. eta vs tors. theta energy: -1.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -66.138952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.138952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.138952 (E_RNA) where: Base-Base interactions energy: -16.550 where: short stacking energy: -16.550 Base-Backbone interact. energy: -0.893 local terms energy: -48.696334 where: bonds (distance) C4'-P energy: -14.679 bonds (distance) P-C4' energy: -13.294 flat angles C4'-P-C4' energy: -11.366 flat angles P-C4'-P energy: -7.031 tors. eta vs tors. theta energy: -2.326 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: 1, replica: 2 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -203.917390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.917390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.917390 (E_RNA) where: Base-Base interactions energy: -139.060 where: short stacking energy: -55.772 Base-Backbone interact. energy: -0.001 local terms energy: -64.856608 where: bonds (distance) C4'-P energy: -13.834 bonds (distance) P-C4' energy: -11.858 flat angles C4'-P-C4' energy: -13.419 flat angles P-C4'-P energy: -9.624 tors. eta vs tors. theta energy: -16.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -201.925018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.925018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.925018 (E_RNA) where: Base-Base interactions energy: -142.953 where: short stacking energy: -57.635 Base-Backbone interact. energy: -0.011 local terms energy: -58.960927 where: bonds (distance) C4'-P energy: -10.816 bonds (distance) P-C4' energy: -15.333 flat angles C4'-P-C4' energy: -10.698 flat angles P-C4'-P energy: -8.274 tors. eta vs tors. theta energy: -13.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -193.318923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.318923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.318923 (E_RNA) where: Base-Base interactions energy: -135.550 where: short stacking energy: -59.255 Base-Backbone interact. energy: -0.064 local terms energy: -57.704229 where: bonds (distance) C4'-P energy: -9.099 bonds (distance) P-C4' energy: -11.979 flat angles C4'-P-C4' energy: -13.071 flat angles P-C4'-P energy: -6.483 tors. eta vs tors. theta energy: -17.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -191.985750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.985750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.985750 (E_RNA) where: Base-Base interactions energy: -136.632 where: short stacking energy: -59.197 Base-Backbone interact. energy: -0.004 local terms energy: -55.350074 where: bonds (distance) C4'-P energy: -8.001 bonds (distance) P-C4' energy: -12.131 flat angles C4'-P-C4' energy: -10.780 flat angles P-C4'-P energy: -8.541 tors. eta vs tors. theta energy: -15.897 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: 101 Temperature: 1.100000 Total energy: -186.772680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.772680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.772680 (E_RNA) where: Base-Base interactions energy: -132.339 where: short stacking energy: -56.654 Base-Backbone interact. energy: -0.400 local terms energy: -54.033710 where: bonds (distance) C4'-P energy: -7.208 bonds (distance) P-C4' energy: -10.025 flat angles C4'-P-C4' energy: -13.547 flat angles P-C4'-P energy: -8.716 tors. eta vs tors. theta energy: -14.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -132.335354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.335354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.335354 (E_RNA) where: Base-Base interactions energy: -83.590 where: short stacking energy: -39.310 Base-Backbone interact. energy: -0.698 local terms energy: -48.047980 where: bonds (distance) C4'-P energy: -12.982 bonds (distance) P-C4' energy: -7.353 flat angles C4'-P-C4' energy: -12.434 flat angles P-C4'-P energy: -6.355 tors. eta vs tors. theta energy: -8.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -76.650674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.650674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.650674 (E_RNA) where: Base-Base interactions energy: -30.484 where: short stacking energy: -30.484 Base-Backbone interact. energy: 0.687 local terms energy: -46.853592 where: bonds (distance) C4'-P energy: -7.141 bonds (distance) P-C4' energy: -13.575 flat angles C4'-P-C4' energy: -12.934 flat angles P-C4'-P energy: -6.020 tors. eta vs tors. theta energy: -7.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -68.139259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.139259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.139259 (E_RNA) where: Base-Base interactions energy: -26.191 where: short stacking energy: -26.191 Base-Backbone interact. energy: -0.080 local terms energy: -41.868053 where: bonds (distance) C4'-P energy: -11.123 bonds (distance) P-C4' energy: -14.453 flat angles C4'-P-C4' energy: -9.564 flat angles P-C4'-P energy: -6.936 tors. eta vs tors. theta energy: 0.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -68.175128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.175128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.175128 (E_RNA) where: Base-Base interactions energy: -22.950 where: short stacking energy: -22.519 Base-Backbone interact. energy: -0.106 local terms energy: -45.119688 where: bonds (distance) C4'-P energy: -13.682 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -12.094 flat angles P-C4'-P energy: -8.738 tors. eta vs tors. theta energy: -1.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -62.125791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.125791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.125791 (E_RNA) where: Base-Base interactions energy: -26.345 where: short stacking energy: -8.131 Base-Backbone interact. energy: -0.227 local terms energy: -35.554044 where: bonds (distance) C4'-P energy: -10.407 bonds (distance) P-C4' energy: -13.557 flat angles C4'-P-C4' energy: -7.941 flat angles P-C4'-P energy: -8.575 tors. eta vs tors. theta energy: 4.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -208.485457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.485457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.485457 (E_RNA) where: Base-Base interactions energy: -144.927 where: short stacking energy: -60.426 Base-Backbone interact. energy: -0.009 local terms energy: -63.549472 where: bonds (distance) C4'-P energy: -12.645 bonds (distance) P-C4' energy: -14.109 flat angles C4'-P-C4' energy: -13.269 flat angles P-C4'-P energy: -7.462 tors. eta vs tors. theta energy: -16.064 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: 2 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -190.416279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.416279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.416279 (E_RNA) where: Base-Base interactions energy: -126.729 where: short stacking energy: -50.804 Base-Backbone interact. energy: -0.178 local terms energy: -63.508487 where: bonds (distance) C4'-P energy: -11.202 bonds (distance) P-C4' energy: -12.205 flat angles C4'-P-C4' energy: -12.920 flat angles P-C4'-P energy: -9.101 tors. eta vs tors. theta energy: -18.080 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: 3, replica: 9 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -191.849403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.849403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.849403 (E_RNA) where: Base-Base interactions energy: -130.714 where: short stacking energy: -54.437 Base-Backbone interact. energy: -0.088 local terms energy: -61.046638 where: bonds (distance) C4'-P energy: -11.740 bonds (distance) P-C4' energy: -11.929 flat angles C4'-P-C4' energy: -12.166 flat angles P-C4'-P energy: -10.908 tors. eta vs tors. theta energy: -14.303 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: 5 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -193.087531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.087531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.087531 (E_RNA) where: Base-Base interactions energy: -132.674 where: short stacking energy: -57.887 Base-Backbone interact. energy: -0.008 local terms energy: -60.405832 where: bonds (distance) C4'-P energy: -12.902 bonds (distance) P-C4' energy: -13.638 flat angles C4'-P-C4' energy: -14.610 flat angles P-C4'-P energy: -6.551 tors. eta vs tors. theta energy: -12.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -189.243468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.243468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.243468 (E_RNA) where: Base-Base interactions energy: -130.363 where: short stacking energy: -55.197 Base-Backbone interact. energy: -0.127 local terms energy: -58.753494 where: bonds (distance) C4'-P energy: -11.015 bonds (distance) P-C4' energy: -12.957 flat angles C4'-P-C4' energy: -9.287 flat angles P-C4'-P energy: -8.987 tors. eta vs tors. theta energy: -16.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -94.238001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.238001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.238001 (E_RNA) where: Base-Base interactions energy: -46.655 where: short stacking energy: -24.185 Base-Backbone interact. energy: -0.387 local terms energy: -47.195571 where: bonds (distance) C4'-P energy: -8.934 bonds (distance) P-C4' energy: -13.343 flat angles C4'-P-C4' energy: -11.929 flat angles P-C4'-P energy: -10.597 tors. eta vs tors. theta energy: -2.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -75.567693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.567693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.567693 (E_RNA) where: Base-Base interactions energy: -38.622 where: short stacking energy: -26.785 Base-Backbone interact. energy: -0.414 local terms energy: -36.532047 where: bonds (distance) C4'-P energy: -10.273 bonds (distance) P-C4' energy: -9.616 flat angles C4'-P-C4' energy: -13.257 flat angles P-C4'-P energy: -3.254 tors. eta vs tors. theta energy: -0.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -79.231714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.231714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.231714 (E_RNA) where: Base-Base interactions energy: -36.481 where: short stacking energy: -36.026 Base-Backbone interact. energy: -0.196 local terms energy: -42.555304 where: bonds (distance) C4'-P energy: -5.436 bonds (distance) P-C4' energy: -13.336 flat angles C4'-P-C4' energy: -8.121 flat angles P-C4'-P energy: -4.740 tors. eta vs tors. theta energy: -10.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -72.761653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.761653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.761653 (E_RNA) where: Base-Base interactions energy: -30.439 where: short stacking energy: -29.834 Base-Backbone interact. energy: -0.001 local terms energy: -42.321574 where: bonds (distance) C4'-P energy: -12.618 bonds (distance) P-C4' energy: -10.902 flat angles C4'-P-C4' energy: -12.062 flat angles P-C4'-P energy: 0.641 tors. eta vs tors. theta energy: -7.380 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: 10, replica: 4 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -64.441728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.441728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.441728 (E_RNA) where: Base-Base interactions energy: -29.229 where: short stacking energy: -18.286 Base-Backbone interact. energy: -0.080 local terms energy: -35.131877 where: bonds (distance) C4'-P energy: -11.214 bonds (distance) P-C4' energy: -10.542 flat angles C4'-P-C4' energy: -2.825 flat angles P-C4'-P energy: -5.369 tors. eta vs tors. theta energy: -5.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -201.247686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.247686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.247686 (E_RNA) where: Base-Base interactions energy: -140.932 where: short stacking energy: -58.344 Base-Backbone interact. energy: -0.058 local terms energy: -60.257027 where: bonds (distance) C4'-P energy: -12.465 bonds (distance) P-C4' energy: -11.711 flat angles C4'-P-C4' energy: -13.016 flat angles P-C4'-P energy: -7.664 tors. eta vs tors. theta energy: -15.400 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: 9 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -200.965049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.965049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.965049 (E_RNA) where: Base-Base interactions energy: -140.349 where: short stacking energy: -58.293 Base-Backbone interact. energy: -0.012 local terms energy: -60.603826 where: bonds (distance) C4'-P energy: -11.764 bonds (distance) P-C4' energy: -13.901 flat angles C4'-P-C4' energy: -11.911 flat angles P-C4'-P energy: -7.191 tors. eta vs tors. theta energy: -15.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -193.779181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.779181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.779181 (E_RNA) where: Base-Base interactions energy: -131.121 where: short stacking energy: -59.534 Base-Backbone interact. energy: -0.058 local terms energy: -62.600232 where: bonds (distance) C4'-P energy: -10.879 bonds (distance) P-C4' energy: -12.451 flat angles C4'-P-C4' energy: -14.745 flat angles P-C4'-P energy: -10.585 tors. eta vs tors. theta energy: -13.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -189.410616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.410616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.410616 (E_RNA) where: Base-Base interactions energy: -130.339 where: short stacking energy: -54.333 Base-Backbone interact. energy: -0.041 local terms energy: -59.030326 where: bonds (distance) C4'-P energy: -11.855 bonds (distance) P-C4' energy: -11.842 flat angles C4'-P-C4' energy: -12.642 flat angles P-C4'-P energy: -6.846 tors. eta vs tors. theta energy: -15.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -196.267574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.267574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.267574 (E_RNA) where: Base-Base interactions energy: -130.834 where: short stacking energy: -58.086 Base-Backbone interact. energy: -0.015 local terms energy: -65.418482 where: bonds (distance) C4'-P energy: -11.677 bonds (distance) P-C4' energy: -10.708 flat angles C4'-P-C4' energy: -13.697 flat angles P-C4'-P energy: -11.727 tors. eta vs tors. theta energy: -17.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -81.117399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.117399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.117399 (E_RNA) where: Base-Base interactions energy: -31.523 where: short stacking energy: -31.523 Base-Backbone interact. energy: 0.200 local terms energy: -49.794545 where: bonds (distance) C4'-P energy: -8.046 bonds (distance) P-C4' energy: -13.610 flat angles C4'-P-C4' energy: -12.756 flat angles P-C4'-P energy: -9.335 tors. eta vs tors. theta energy: -6.047 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: 8 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -80.554353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.554353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.554353 (E_RNA) where: Base-Base interactions energy: -31.928 where: short stacking energy: -31.928 Base-Backbone interact. energy: -0.006 local terms energy: -48.620140 where: bonds (distance) C4'-P energy: -13.682 bonds (distance) P-C4' energy: -7.415 flat angles C4'-P-C4' energy: -12.517 flat angles P-C4'-P energy: -10.112 tors. eta vs tors. theta energy: -4.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -71.329482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.329482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.329482 (E_RNA) where: Base-Base interactions energy: -30.529 where: short stacking energy: -25.345 Base-Backbone interact. energy: -0.955 local terms energy: -39.845879 where: bonds (distance) C4'-P energy: -8.667 bonds (distance) P-C4' energy: -12.316 flat angles C4'-P-C4' energy: -10.149 flat angles P-C4'-P energy: -8.151 tors. eta vs tors. theta energy: -0.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -65.998640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.998640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.998640 (E_RNA) where: Base-Base interactions energy: -24.184 where: short stacking energy: -22.773 Base-Backbone interact. energy: 0.751 local terms energy: -42.565602 where: bonds (distance) C4'-P energy: -11.271 bonds (distance) P-C4' energy: -7.729 flat angles C4'-P-C4' energy: -14.277 flat angles P-C4'-P energy: -8.762 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: 10, replica: 4 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -53.086466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.086466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.086466 (E_RNA) where: Base-Base interactions energy: -10.784 where: short stacking energy: -10.784 Base-Backbone interact. energy: -0.378 local terms energy: -41.924711 where: bonds (distance) C4'-P energy: -11.571 bonds (distance) P-C4' energy: -12.594 flat angles C4'-P-C4' energy: -10.831 flat angles P-C4'-P energy: -6.667 tors. eta vs tors. theta energy: -0.261 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: 9 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -203.904619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.904619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.904619 (E_RNA) where: Base-Base interactions energy: -139.372 where: short stacking energy: -58.505 Base-Backbone interact. energy: -0.085 local terms energy: -64.446743 where: bonds (distance) C4'-P energy: -13.983 bonds (distance) P-C4' energy: -13.565 flat angles C4'-P-C4' energy: -12.069 flat angles P-C4'-P energy: -9.334 tors. eta vs tors. theta energy: -15.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -201.534916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.534916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.534916 (E_RNA) where: Base-Base interactions energy: -139.190 where: short stacking energy: -57.564 Base-Backbone interact. energy: -0.491 local terms energy: -61.853948 where: bonds (distance) C4'-P energy: -10.557 bonds (distance) P-C4' energy: -13.324 flat angles C4'-P-C4' energy: -11.825 flat angles P-C4'-P energy: -9.132 tors. eta vs tors. theta energy: -17.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -202.031392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.031392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.031392 (E_RNA) where: Base-Base interactions energy: -136.119 where: short stacking energy: -57.206 Base-Backbone interact. energy: 0.463 local terms energy: -66.375477 where: bonds (distance) C4'-P energy: -13.627 bonds (distance) P-C4' energy: -14.526 flat angles C4'-P-C4' energy: -12.586 flat angles P-C4'-P energy: -8.530 tors. eta vs tors. theta energy: -17.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -189.592102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.592102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.592102 (E_RNA) where: Base-Base interactions energy: -125.886 where: short stacking energy: -59.427 Base-Backbone interact. energy: -0.393 local terms energy: -63.313110 where: bonds (distance) C4'-P energy: -9.451 bonds (distance) P-C4' energy: -14.224 flat angles C4'-P-C4' energy: -13.040 flat angles P-C4'-P energy: -8.597 tors. eta vs tors. theta energy: -18.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -188.563460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.563460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.563460 (E_RNA) where: Base-Base interactions energy: -129.286 where: short stacking energy: -51.033 Base-Backbone interact. energy: -0.001 local terms energy: -59.276069 where: bonds (distance) C4'-P energy: -8.275 bonds (distance) P-C4' energy: -11.567 flat angles C4'-P-C4' energy: -12.450 flat angles P-C4'-P energy: -11.133 tors. eta vs tors. theta energy: -15.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -85.979576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.979576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.979576 (E_RNA) where: Base-Base interactions energy: -36.732 where: short stacking energy: -21.745 Base-Backbone interact. energy: -0.194 local terms energy: -49.053582 where: bonds (distance) C4'-P energy: -12.307 bonds (distance) P-C4' energy: -12.584 flat angles C4'-P-C4' energy: -12.081 flat angles P-C4'-P energy: -9.821 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: 7, replica: 8 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -88.529275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.529275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.529275 (E_RNA) where: Base-Base interactions energy: -40.754 where: short stacking energy: -35.471 Base-Backbone interact. energy: -0.229 local terms energy: -47.546230 where: bonds (distance) C4'-P energy: -9.515 bonds (distance) P-C4' energy: -11.478 flat angles C4'-P-C4' energy: -13.676 flat angles P-C4'-P energy: -5.934 tors. eta vs tors. theta energy: -6.943 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: 10 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -71.781274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.781274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.781274 (E_RNA) where: Base-Base interactions energy: -24.932 where: short stacking energy: -24.932 Base-Backbone interact. energy: -0.009 local terms energy: -46.840525 where: bonds (distance) C4'-P energy: -9.562 bonds (distance) P-C4' energy: -12.162 flat angles C4'-P-C4' energy: -11.580 flat angles P-C4'-P energy: -7.425 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: 9, replica: 3 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -78.528399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.528399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.528399 (E_RNA) where: Base-Base interactions energy: -28.576 where: short stacking energy: -26.778 Base-Backbone interact. energy: -0.025 local terms energy: -49.927303 where: bonds (distance) C4'-P energy: -13.165 bonds (distance) P-C4' energy: -12.595 flat angles C4'-P-C4' energy: -9.961 flat angles P-C4'-P energy: -6.671 tors. eta vs tors. theta energy: -7.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -65.971752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.971752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.971752 (E_RNA) where: Base-Base interactions energy: -21.114 where: short stacking energy: -16.497 Base-Backbone interact. energy: -0.107 local terms energy: -44.749789 where: bonds (distance) C4'-P energy: -12.650 bonds (distance) P-C4' energy: -12.188 flat angles C4'-P-C4' energy: -11.942 flat angles P-C4'-P energy: -7.854 tors. eta vs tors. theta energy: -0.116 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: 9 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -201.838412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.838412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.838412 (E_RNA) where: Base-Base interactions energy: -149.566 where: short stacking energy: -64.000 Base-Backbone interact. energy: -0.046 local terms energy: -52.226838 where: bonds (distance) C4'-P energy: -9.079 bonds (distance) P-C4' energy: -12.234 flat angles C4'-P-C4' energy: -11.726 flat angles P-C4'-P energy: -5.258 tors. eta vs tors. theta energy: -13.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -204.165661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.165661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.165661 (E_RNA) where: Base-Base interactions energy: -144.567 where: short stacking energy: -63.828 Base-Backbone interact. energy: -0.852 local terms energy: -58.747198 where: bonds (distance) C4'-P energy: -6.480 bonds (distance) P-C4' energy: -14.777 flat angles C4'-P-C4' energy: -12.559 flat angles P-C4'-P energy: -8.642 tors. eta vs tors. theta energy: -16.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -190.430620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.430620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.430620 (E_RNA) where: Base-Base interactions energy: -131.370 where: short stacking energy: -53.044 Base-Backbone interact. energy: -0.379 local terms energy: -58.681706 where: bonds (distance) C4'-P energy: -10.904 bonds (distance) P-C4' energy: -14.907 flat angles C4'-P-C4' energy: -11.741 flat angles P-C4'-P energy: -4.275 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: 4, replica: 7 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -196.486099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.486099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.486099 (E_RNA) where: Base-Base interactions energy: -137.054 where: short stacking energy: -56.425 Base-Backbone interact. energy: -0.088 local terms energy: -59.344139 where: bonds (distance) C4'-P energy: -9.467 bonds (distance) P-C4' energy: -12.068 flat angles C4'-P-C4' energy: -11.769 flat angles P-C4'-P energy: -9.461 tors. eta vs tors. theta energy: -16.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -169.320236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.320236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.320236 (E_RNA) where: Base-Base interactions energy: -113.129 where: short stacking energy: -50.980 Base-Backbone interact. energy: -0.109 local terms energy: -56.082677 where: bonds (distance) C4'-P energy: -13.570 bonds (distance) P-C4' energy: -13.454 flat angles C4'-P-C4' energy: -12.612 flat angles P-C4'-P energy: -3.348 tors. eta vs tors. theta energy: -13.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -82.154851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.154851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.154851 (E_RNA) where: Base-Base interactions energy: -34.315 where: short stacking energy: -25.876 Base-Backbone interact. energy: -0.701 local terms energy: -47.138852 where: bonds (distance) C4'-P energy: -6.980 bonds (distance) P-C4' energy: -10.818 flat angles C4'-P-C4' energy: -13.843 flat angles P-C4'-P energy: -8.598 tors. eta vs tors. theta energy: -6.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -100.486737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.486737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.486737 (E_RNA) where: Base-Base interactions energy: -55.073 where: short stacking energy: -32.221 Base-Backbone interact. energy: -0.278 local terms energy: -45.135766 where: bonds (distance) C4'-P energy: -10.452 bonds (distance) P-C4' energy: -12.662 flat angles C4'-P-C4' energy: -9.979 flat angles P-C4'-P energy: -6.723 tors. eta vs tors. theta energy: -5.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -92.909961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.909961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.909961 (E_RNA) where: Base-Base interactions energy: -56.440 where: short stacking energy: -28.508 Base-Backbone interact. energy: -0.000 local terms energy: -36.470174 where: bonds (distance) C4'-P energy: -11.032 bonds (distance) P-C4' energy: -11.914 flat angles C4'-P-C4' energy: -8.142 flat angles P-C4'-P energy: -4.680 tors. eta vs tors. theta energy: -0.703 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: 9, replica: 10 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -63.047360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.047360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.047360 (E_RNA) where: Base-Base interactions energy: -21.161 where: short stacking energy: -16.076 Base-Backbone interact. energy: -0.155 local terms energy: -41.731359 where: bonds (distance) C4'-P energy: -13.284 bonds (distance) P-C4' energy: -12.889 flat angles C4'-P-C4' energy: -7.119 flat angles P-C4'-P energy: -6.547 tors. eta vs tors. theta energy: -1.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -64.998861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.998861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.998861 (E_RNA) where: Base-Base interactions energy: -24.169 where: short stacking energy: -21.888 Base-Backbone interact. energy: -0.124 local terms energy: -40.705553 where: bonds (distance) C4'-P energy: -11.235 bonds (distance) P-C4' energy: -11.131 flat angles C4'-P-C4' energy: -7.501 flat angles P-C4'-P energy: -7.297 tors. eta vs tors. theta energy: -3.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -199.883397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.883397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.883397 (E_RNA) where: Base-Base interactions energy: -135.954 where: short stacking energy: -59.241 Base-Backbone interact. energy: -1.055 local terms energy: -62.873852 where: bonds (distance) C4'-P energy: -12.617 bonds (distance) P-C4' energy: -13.901 flat angles C4'-P-C4' energy: -10.794 flat angles P-C4'-P energy: -11.585 tors. eta vs tors. theta energy: -13.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -203.026586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.026586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.026586 (E_RNA) where: Base-Base interactions energy: -146.476 where: short stacking energy: -65.422 Base-Backbone interact. energy: -0.018 local terms energy: -56.532092 where: bonds (distance) C4'-P energy: -12.076 bonds (distance) P-C4' energy: -13.669 flat angles C4'-P-C4' energy: -11.503 flat angles P-C4'-P energy: -7.099 tors. eta vs tors. theta energy: -12.186 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: 3, replica: 7 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -191.566492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.566492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.566492 (E_RNA) where: Base-Base interactions energy: -132.161 where: short stacking energy: -60.459 Base-Backbone interact. energy: -0.020 local terms energy: -59.385650 where: bonds (distance) C4'-P energy: -10.832 bonds (distance) P-C4' energy: -14.057 flat angles C4'-P-C4' energy: -13.750 flat angles P-C4'-P energy: -3.903 tors. eta vs tors. theta energy: -16.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -183.688962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.688962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.688962 (E_RNA) where: Base-Base interactions energy: -125.884 where: short stacking energy: -50.518 Base-Backbone interact. energy: -0.268 local terms energy: -57.536976 where: bonds (distance) C4'-P energy: -11.057 bonds (distance) P-C4' energy: -9.687 flat angles C4'-P-C4' energy: -13.805 flat angles P-C4'-P energy: -8.908 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: 5, replica: 2 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -185.779593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.779593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.779593 (E_RNA) where: Base-Base interactions energy: -126.789 where: short stacking energy: -53.811 Base-Backbone interact. energy: -0.017 local terms energy: -58.974053 where: bonds (distance) C4'-P energy: -11.342 bonds (distance) P-C4' energy: -11.425 flat angles C4'-P-C4' energy: -14.206 flat angles P-C4'-P energy: -5.840 tors. eta vs tors. theta energy: -16.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -96.651484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.651484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.651484 (E_RNA) where: Base-Base interactions energy: -42.722 where: short stacking energy: -17.128 Base-Backbone interact. energy: -1.695 local terms energy: -52.235026 where: bonds (distance) C4'-P energy: -13.052 bonds (distance) P-C4' energy: -13.324 flat angles C4'-P-C4' energy: -11.083 flat angles P-C4'-P energy: -9.440 tors. eta vs tors. theta energy: -5.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -95.265119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.265119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.265119 (E_RNA) where: Base-Base interactions energy: -57.020 where: short stacking energy: -32.717 Base-Backbone interact. energy: -0.013 local terms energy: -38.231847 where: bonds (distance) C4'-P energy: -9.569 bonds (distance) P-C4' energy: -10.172 flat angles C4'-P-C4' energy: -10.129 flat angles P-C4'-P energy: -3.584 tors. eta vs tors. theta energy: -4.777 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: 8, replica: 1 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -72.669042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.669042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.669042 (E_RNA) where: Base-Base interactions energy: -28.199 where: short stacking energy: -23.142 Base-Backbone interact. energy: -0.882 local terms energy: -43.587748 where: bonds (distance) C4'-P energy: -10.335 bonds (distance) P-C4' energy: -13.094 flat angles C4'-P-C4' energy: -10.683 flat angles P-C4'-P energy: -9.057 tors. eta vs tors. theta energy: -0.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -98.432454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.432454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.432454 (E_RNA) where: Base-Base interactions energy: -55.678 where: short stacking energy: -28.152 Base-Backbone interact. energy: 0.074 local terms energy: -42.828220 where: bonds (distance) C4'-P energy: -11.053 bonds (distance) P-C4' energy: -8.951 flat angles C4'-P-C4' energy: -8.113 flat angles P-C4'-P energy: -9.131 tors. eta vs tors. theta energy: -5.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -63.207142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.207142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.207142 (E_RNA) where: Base-Base interactions energy: -23.393 where: short stacking energy: -19.099 Base-Backbone interact. energy: -0.277 local terms energy: -39.536289 where: bonds (distance) C4'-P energy: -7.016 bonds (distance) P-C4' energy: -13.600 flat angles C4'-P-C4' energy: -11.690 flat angles P-C4'-P energy: -5.326 tors. eta vs tors. theta energy: -1.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -203.992072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.992072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.992072 (E_RNA) where: Base-Base interactions energy: -138.496 where: short stacking energy: -59.875 Base-Backbone interact. energy: -0.002 local terms energy: -65.494066 where: bonds (distance) C4'-P energy: -13.437 bonds (distance) P-C4' energy: -12.954 flat angles C4'-P-C4' energy: -14.738 flat angles P-C4'-P energy: -6.632 tors. eta vs tors. theta energy: -17.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -203.905156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.905156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.905156 (E_RNA) where: Base-Base interactions energy: -143.688 where: short stacking energy: -62.094 Base-Backbone interact. energy: -0.003 local terms energy: -60.214984 where: bonds (distance) C4'-P energy: -11.098 bonds (distance) P-C4' energy: -11.555 flat angles C4'-P-C4' energy: -12.834 flat angles P-C4'-P energy: -8.286 tors. eta vs tors. theta energy: -16.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -188.879585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.879585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.879585 (E_RNA) where: Base-Base interactions energy: -129.256 where: short stacking energy: -53.414 Base-Backbone interact. energy: -0.003 local terms energy: -59.621197 where: bonds (distance) C4'-P energy: -13.470 bonds (distance) P-C4' energy: -12.419 flat angles C4'-P-C4' energy: -11.602 flat angles P-C4'-P energy: -6.892 tors. eta vs tors. theta energy: -15.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -195.258177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.258177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.258177 (E_RNA) where: Base-Base interactions energy: -138.418 where: short stacking energy: -55.186 Base-Backbone interact. energy: -0.128 local terms energy: -56.712301 where: bonds (distance) C4'-P energy: -9.669 bonds (distance) P-C4' energy: -8.525 flat angles C4'-P-C4' energy: -14.980 flat angles P-C4'-P energy: -5.833 tors. eta vs tors. theta energy: -17.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -184.593751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.593751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.593751 (E_RNA) where: Base-Base interactions energy: -127.859 where: short stacking energy: -54.845 Base-Backbone interact. energy: -0.004 local terms energy: -56.731301 where: bonds (distance) C4'-P energy: -11.277 bonds (distance) P-C4' energy: -10.599 flat angles C4'-P-C4' energy: -11.825 flat angles P-C4'-P energy: -10.123 tors. eta vs tors. theta energy: -12.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -88.506238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.506238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.506238 (E_RNA) where: Base-Base interactions energy: -39.123 where: short stacking energy: -39.123 Base-Backbone interact. energy: -0.007 local terms energy: -49.376221 where: bonds (distance) C4'-P energy: -11.790 bonds (distance) P-C4' energy: -12.533 flat angles C4'-P-C4' energy: -11.002 flat angles P-C4'-P energy: -4.636 tors. eta vs tors. theta energy: -9.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -86.570468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.570468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.570468 (E_RNA) where: Base-Base interactions energy: -43.531 where: short stacking energy: -38.777 Base-Backbone interact. energy: -0.028 local terms energy: -43.011598 where: bonds (distance) C4'-P energy: -10.895 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -11.849 flat angles P-C4'-P energy: -3.884 tors. eta vs tors. theta energy: -8.345 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: 4 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -74.786828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.786828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.786828 (E_RNA) where: Base-Base interactions energy: -29.330 where: short stacking energy: -28.387 Base-Backbone interact. energy: -0.112 local terms energy: -45.344353 where: bonds (distance) C4'-P energy: -10.158 bonds (distance) P-C4' energy: -11.896 flat angles C4'-P-C4' energy: -10.706 flat angles P-C4'-P energy: -7.503 tors. eta vs tors. theta energy: -5.081 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: 1 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -66.129990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.129990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.129990 (E_RNA) where: Base-Base interactions energy: -24.220 where: short stacking energy: -23.542 Base-Backbone interact. energy: -0.315 local terms energy: -41.594731 where: bonds (distance) C4'-P energy: -11.189 bonds (distance) P-C4' energy: -11.718 flat angles C4'-P-C4' energy: -7.686 flat angles P-C4'-P energy: -6.040 tors. eta vs tors. theta energy: -4.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -67.126348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.126348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.126348 (E_RNA) where: Base-Base interactions energy: -19.353 where: short stacking energy: -18.500 Base-Backbone interact. energy: -0.113 local terms energy: -47.660054 where: bonds (distance) C4'-P energy: -13.268 bonds (distance) P-C4' energy: -13.426 flat angles C4'-P-C4' energy: -13.856 flat angles P-C4'-P energy: -4.040 tors. eta vs tors. theta energy: -3.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -203.585593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.585593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.585593 (E_RNA) where: Base-Base interactions energy: -139.378 where: short stacking energy: -62.028 Base-Backbone interact. energy: -0.588 local terms energy: -63.619053 where: bonds (distance) C4'-P energy: -13.540 bonds (distance) P-C4' energy: -11.257 flat angles C4'-P-C4' energy: -12.561 flat angles P-C4'-P energy: -10.864 tors. eta vs tors. theta energy: -15.397 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: 2, replica: 7 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -201.074888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.074888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.074888 (E_RNA) where: Base-Base interactions energy: -136.704 where: short stacking energy: -58.674 Base-Backbone interact. energy: -0.000 local terms energy: -64.370557 where: bonds (distance) C4'-P energy: -11.227 bonds (distance) P-C4' energy: -14.424 flat angles C4'-P-C4' energy: -13.357 flat angles P-C4'-P energy: -9.207 tors. eta vs tors. theta energy: -16.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -197.557483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.557483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.557483 (E_RNA) where: Base-Base interactions energy: -134.884 where: short stacking energy: -53.540 Base-Backbone interact. energy: -0.301 local terms energy: -62.372361 where: bonds (distance) C4'-P energy: -12.966 bonds (distance) P-C4' energy: -10.306 flat angles C4'-P-C4' energy: -11.370 flat angles P-C4'-P energy: -10.860 tors. eta vs tors. theta energy: -16.871 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: 4, replica: 9 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -177.261873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.261873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.261873 (E_RNA) where: Base-Base interactions energy: -119.388 where: short stacking energy: -46.584 Base-Backbone interact. energy: -0.013 local terms energy: -57.860007 where: bonds (distance) C4'-P energy: -12.245 bonds (distance) P-C4' energy: -10.086 flat angles C4'-P-C4' energy: -13.557 flat angles P-C4'-P energy: -8.260 tors. eta vs tors. theta energy: -13.712 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: 2 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -186.833385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.833385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.833385 (E_RNA) where: Base-Base interactions energy: -133.243 where: short stacking energy: -54.785 Base-Backbone interact. energy: -0.036 local terms energy: -53.554578 where: bonds (distance) C4'-P energy: -12.758 bonds (distance) P-C4' energy: -10.518 flat angles C4'-P-C4' energy: -6.975 flat angles P-C4'-P energy: -9.444 tors. eta vs tors. theta energy: -13.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -80.106530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.106530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.106530 (E_RNA) where: Base-Base interactions energy: -38.467 where: short stacking energy: -28.562 Base-Backbone interact. energy: -0.116 local terms energy: -41.523494 where: bonds (distance) C4'-P energy: -11.206 bonds (distance) P-C4' energy: -8.657 flat angles C4'-P-C4' energy: -11.043 flat angles P-C4'-P energy: -5.191 tors. eta vs tors. theta energy: -5.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -93.093138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.093138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.093138 (E_RNA) where: Base-Base interactions energy: -60.526 where: short stacking energy: -22.334 Base-Backbone interact. energy: -0.247 local terms energy: -32.319617 where: bonds (distance) C4'-P energy: -12.228 bonds (distance) P-C4' energy: -11.511 flat angles C4'-P-C4' energy: -7.086 flat angles P-C4'-P energy: -5.548 tors. eta vs tors. theta energy: 4.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -72.322841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.322841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.322841 (E_RNA) where: Base-Base interactions energy: -28.763 where: short stacking energy: -28.763 Base-Backbone interact. energy: -0.229 local terms energy: -43.330850 where: bonds (distance) C4'-P energy: -13.318 bonds (distance) P-C4' energy: -13.525 flat angles C4'-P-C4' energy: -7.276 flat angles P-C4'-P energy: -6.551 tors. eta vs tors. theta energy: -2.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -64.869400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.869400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.869400 (E_RNA) where: Base-Base interactions energy: -23.503 where: short stacking energy: -22.104 Base-Backbone interact. energy: -0.010 local terms energy: -41.356111 where: bonds (distance) C4'-P energy: -8.878 bonds (distance) P-C4' energy: -14.382 flat angles C4'-P-C4' energy: -11.309 flat angles P-C4'-P energy: -3.708 tors. eta vs tors. theta energy: -3.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -69.212768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.212768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.212768 (E_RNA) where: Base-Base interactions energy: -31.466 where: short stacking energy: -24.806 Base-Backbone interact. energy: -0.152 local terms energy: -37.594197 where: bonds (distance) C4'-P energy: -9.683 bonds (distance) P-C4' energy: -9.843 flat angles C4'-P-C4' energy: -11.591 flat angles P-C4'-P energy: -4.995 tors. eta vs tors. theta energy: -1.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -197.322874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.322874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.322874 (E_RNA) where: Base-Base interactions energy: -135.207 where: short stacking energy: -55.661 Base-Backbone interact. energy: -1.642 local terms energy: -60.474313 where: bonds (distance) C4'-P energy: -13.442 bonds (distance) P-C4' energy: -11.898 flat angles C4'-P-C4' energy: -14.666 flat angles P-C4'-P energy: -8.169 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: 2, replica: 5 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -198.167666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.167666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.167666 (E_RNA) where: Base-Base interactions energy: -138.132 where: short stacking energy: -59.790 Base-Backbone interact. energy: -0.017 local terms energy: -60.019485 where: bonds (distance) C4'-P energy: -12.733 bonds (distance) P-C4' energy: -7.213 flat angles C4'-P-C4' energy: -15.245 flat angles P-C4'-P energy: -9.538 tors. eta vs tors. theta energy: -15.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -197.805268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.805268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.805268 (E_RNA) where: Base-Base interactions energy: -130.734 where: short stacking energy: -52.935 Base-Backbone interact. energy: -0.044 local terms energy: -67.026870 where: bonds (distance) C4'-P energy: -13.470 bonds (distance) P-C4' energy: -12.388 flat angles C4'-P-C4' energy: -13.457 flat angles P-C4'-P energy: -9.154 tors. eta vs tors. theta energy: -18.558 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: 2 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -186.550467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.550467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.550467 (E_RNA) where: Base-Base interactions energy: -132.970 where: short stacking energy: -53.938 Base-Backbone interact. energy: -0.039 local terms energy: -53.541642 where: bonds (distance) C4'-P energy: -7.330 bonds (distance) P-C4' energy: -12.023 flat angles C4'-P-C4' energy: -11.208 flat angles P-C4'-P energy: -6.937 tors. eta vs tors. theta energy: -16.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -191.843095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.843095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.843095 (E_RNA) where: Base-Base interactions energy: -132.447 where: short stacking energy: -60.026 Base-Backbone interact. energy: -0.003 local terms energy: -59.392667 where: bonds (distance) C4'-P energy: -11.791 bonds (distance) P-C4' energy: -10.908 flat angles C4'-P-C4' energy: -13.840 flat angles P-C4'-P energy: -5.875 tors. eta vs tors. theta energy: -16.980 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: 4 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -88.899410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.899410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.899410 (E_RNA) where: Base-Base interactions energy: -47.382 where: short stacking energy: -26.968 Base-Backbone interact. energy: -0.039 local terms energy: -41.477620 where: bonds (distance) C4'-P energy: -11.773 bonds (distance) P-C4' energy: -11.674 flat angles C4'-P-C4' energy: -2.400 flat angles P-C4'-P energy: -7.956 tors. eta vs tors. theta energy: -7.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -85.878810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.878810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.878810 (E_RNA) where: Base-Base interactions energy: -31.274 where: short stacking energy: -28.804 Base-Backbone interact. energy: -0.000 local terms energy: -54.605188 where: bonds (distance) C4'-P energy: -12.252 bonds (distance) P-C4' energy: -13.079 flat angles C4'-P-C4' energy: -13.416 flat angles P-C4'-P energy: -8.278 tors. eta vs tors. theta energy: -7.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -74.453358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.453358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.453358 (E_RNA) where: Base-Base interactions energy: -29.260 where: short stacking energy: -15.094 Base-Backbone interact. energy: -0.035 local terms energy: -45.159109 where: bonds (distance) C4'-P energy: -10.812 bonds (distance) P-C4' energy: -12.257 flat angles C4'-P-C4' energy: -10.779 flat angles P-C4'-P energy: -6.089 tors. eta vs tors. theta energy: -5.222 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: 9, replica: 3 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -69.639887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.639887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.639887 (E_RNA) where: Base-Base interactions energy: -28.583 where: short stacking energy: -18.521 Base-Backbone interact. energy: -0.125 local terms energy: -40.931599 where: bonds (distance) C4'-P energy: -12.336 bonds (distance) P-C4' energy: -11.324 flat angles C4'-P-C4' energy: -12.646 flat angles P-C4'-P energy: -2.990 tors. eta vs tors. theta energy: -1.635 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: 10, replica: 1 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -66.794534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.794534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.794534 (E_RNA) where: Base-Base interactions energy: -32.464 where: short stacking energy: -18.250 Base-Backbone interact. energy: -0.229 local terms energy: -34.102420 where: bonds (distance) C4'-P energy: -10.196 bonds (distance) P-C4' energy: -8.815 flat angles C4'-P-C4' energy: -7.051 flat angles P-C4'-P energy: -8.957 tors. eta vs tors. theta energy: 0.918 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: 1, replica: 5 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -204.565135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.565135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.565135 (E_RNA) where: Base-Base interactions energy: -141.430 where: short stacking energy: -60.543 Base-Backbone interact. energy: 0.059 local terms energy: -63.194121 where: bonds (distance) C4'-P energy: -12.026 bonds (distance) P-C4' energy: -11.971 flat angles C4'-P-C4' energy: -14.610 flat angles P-C4'-P energy: -8.509 tors. eta vs tors. theta energy: -16.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -200.580489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.580489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.580489 (E_RNA) where: Base-Base interactions energy: -133.768 where: short stacking energy: -56.362 Base-Backbone interact. energy: -0.002 local terms energy: -66.810241 where: bonds (distance) C4'-P energy: -12.909 bonds (distance) P-C4' energy: -13.994 flat angles C4'-P-C4' energy: -14.352 flat angles P-C4'-P energy: -10.293 tors. eta vs tors. theta energy: -15.262 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: 2 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -186.802897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.802897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.802897 (E_RNA) where: Base-Base interactions energy: -125.441 where: short stacking energy: -58.520 Base-Backbone interact. energy: -0.081 local terms energy: -61.281320 where: bonds (distance) C4'-P energy: -13.325 bonds (distance) P-C4' energy: -10.221 flat angles C4'-P-C4' energy: -13.130 flat angles P-C4'-P energy: -8.249 tors. eta vs tors. theta energy: -16.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -186.941407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.941407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.941407 (E_RNA) where: Base-Base interactions energy: -135.177 where: short stacking energy: -59.559 Base-Backbone interact. energy: -0.002 local terms energy: -51.762303 where: bonds (distance) C4'-P energy: -8.561 bonds (distance) P-C4' energy: -8.380 flat angles C4'-P-C4' energy: -12.343 flat angles P-C4'-P energy: -5.936 tors. eta vs tors. theta energy: -16.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -193.834874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.834874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.834874 (E_RNA) where: Base-Base interactions energy: -133.200 where: short stacking energy: -54.059 Base-Backbone interact. energy: -0.001 local terms energy: -60.633055 where: bonds (distance) C4'-P energy: -9.189 bonds (distance) P-C4' energy: -14.220 flat angles C4'-P-C4' energy: -11.990 flat angles P-C4'-P energy: -10.061 tors. eta vs tors. theta energy: -15.173 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: 4 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -80.201575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.201575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.201575 (E_RNA) where: Base-Base interactions energy: -35.304 where: short stacking energy: -26.549 Base-Backbone interact. energy: 1.464 local terms energy: -46.361380 where: bonds (distance) C4'-P energy: -10.415 bonds (distance) P-C4' energy: -11.156 flat angles C4'-P-C4' energy: -9.761 flat angles P-C4'-P energy: -10.126 tors. eta vs tors. theta energy: -4.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -76.793283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.793283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.793283 (E_RNA) where: Base-Base interactions energy: -31.979 where: short stacking energy: -30.259 Base-Backbone interact. energy: -0.173 local terms energy: -44.641743 where: bonds (distance) C4'-P energy: -12.237 bonds (distance) P-C4' energy: -14.008 flat angles C4'-P-C4' energy: -7.812 flat angles P-C4'-P energy: -9.839 tors. eta vs tors. theta energy: -0.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -74.419949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.419949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.419949 (E_RNA) where: Base-Base interactions energy: -30.950 where: short stacking energy: -21.596 Base-Backbone interact. energy: -0.184 local terms energy: -43.286329 where: bonds (distance) C4'-P energy: -11.112 bonds (distance) P-C4' energy: -11.950 flat angles C4'-P-C4' energy: -10.048 flat angles P-C4'-P energy: -8.150 tors. eta vs tors. theta energy: -2.027 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: 1 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -71.714994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.714994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.714994 (E_RNA) where: Base-Base interactions energy: -35.418 where: short stacking energy: -19.015 Base-Backbone interact. energy: -0.278 local terms energy: -36.018781 where: bonds (distance) C4'-P energy: -12.013 bonds (distance) P-C4' energy: -11.684 flat angles C4'-P-C4' energy: -5.152 flat angles P-C4'-P energy: -7.001 tors. eta vs tors. theta energy: -0.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -59.212556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.212556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.212556 (E_RNA) where: Base-Base interactions energy: -15.143 where: short stacking energy: -15.143 Base-Backbone interact. energy: 0.014 local terms energy: -44.083251 where: bonds (distance) C4'-P energy: -11.446 bonds (distance) P-C4' energy: -11.997 flat angles C4'-P-C4' energy: -10.431 flat angles P-C4'-P energy: -11.171 tors. eta vs tors. theta energy: 0.962 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: 5 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -207.631636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.631636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.631636 (E_RNA) where: Base-Base interactions energy: -142.226 where: short stacking energy: -58.233 Base-Backbone interact. energy: -0.214 local terms energy: -65.191491 where: bonds (distance) C4'-P energy: -11.453 bonds (distance) P-C4' energy: -14.166 flat angles C4'-P-C4' energy: -13.783 flat angles P-C4'-P energy: -10.586 tors. eta vs tors. theta energy: -15.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -200.279800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.279800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.279800 (E_RNA) where: Base-Base interactions energy: -137.384 where: short stacking energy: -55.650 Base-Backbone interact. energy: -0.001 local terms energy: -62.895246 where: bonds (distance) C4'-P energy: -12.017 bonds (distance) P-C4' energy: -11.395 flat angles C4'-P-C4' energy: -13.674 flat angles P-C4'-P energy: -9.674 tors. eta vs tors. theta energy: -16.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -191.718478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.718478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.718478 (E_RNA) where: Base-Base interactions energy: -132.652 where: short stacking energy: -53.879 Base-Backbone interact. energy: -0.003 local terms energy: -59.063099 where: bonds (distance) C4'-P energy: -12.762 bonds (distance) P-C4' energy: -12.331 flat angles C4'-P-C4' energy: -10.863 flat angles P-C4'-P energy: -9.867 tors. eta vs tors. theta energy: -13.241 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: 111 Temperature: 1.050000 Total energy: -184.450811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.450811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.450811 (E_RNA) where: Base-Base interactions energy: -124.179 where: short stacking energy: -56.196 Base-Backbone interact. energy: -0.003 local terms energy: -60.268695 where: bonds (distance) C4'-P energy: -10.994 bonds (distance) P-C4' energy: -13.861 flat angles C4'-P-C4' energy: -12.706 flat angles P-C4'-P energy: -8.032 tors. eta vs tors. theta energy: -14.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -175.725953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.725953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.725953 (E_RNA) where: Base-Base interactions energy: -120.076 where: short stacking energy: -53.700 Base-Backbone interact. energy: -0.122 local terms energy: -55.527595 where: bonds (distance) C4'-P energy: -8.766 bonds (distance) P-C4' energy: -13.758 flat angles C4'-P-C4' energy: -9.477 flat angles P-C4'-P energy: -9.896 tors. eta vs tors. theta energy: -13.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -82.743766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.743766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.743766 (E_RNA) where: Base-Base interactions energy: -32.270 where: short stacking energy: -30.808 Base-Backbone interact. energy: -0.153 local terms energy: -50.320437 where: bonds (distance) C4'-P energy: -11.794 bonds (distance) P-C4' energy: -12.827 flat angles C4'-P-C4' energy: -14.726 flat angles P-C4'-P energy: -6.044 tors. eta vs tors. theta energy: -4.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -100.032450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.032450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.032450 (E_RNA) where: Base-Base interactions energy: -55.689 where: short stacking energy: -28.398 Base-Backbone interact. energy: -0.119 local terms energy: -44.224552 where: bonds (distance) C4'-P energy: -13.992 bonds (distance) P-C4' energy: -6.507 flat angles C4'-P-C4' energy: -12.965 flat angles P-C4'-P energy: -7.024 tors. eta vs tors. theta energy: -3.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -75.325464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.325464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.325464 (E_RNA) where: Base-Base interactions energy: -28.154 where: short stacking energy: -27.043 Base-Backbone interact. energy: -0.614 local terms energy: -46.556977 where: bonds (distance) C4'-P energy: -12.237 bonds (distance) P-C4' energy: -14.202 flat angles C4'-P-C4' energy: -9.333 flat angles P-C4'-P energy: -8.557 tors. eta vs tors. theta energy: -2.229 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: 8 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -64.782020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.782020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.782020 (E_RNA) where: Base-Base interactions energy: -25.587 where: short stacking energy: -20.778 Base-Backbone interact. energy: -0.063 local terms energy: -39.132011 where: bonds (distance) C4'-P energy: -13.354 bonds (distance) P-C4' energy: -9.954 flat angles C4'-P-C4' energy: -12.451 flat angles P-C4'-P energy: -6.557 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: 3 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -68.077021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.077021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.077021 (E_RNA) where: Base-Base interactions energy: -29.409 where: short stacking energy: -21.758 Base-Backbone interact. energy: -0.073 local terms energy: -38.594753 where: bonds (distance) C4'-P energy: -11.640 bonds (distance) P-C4' energy: -13.290 flat angles C4'-P-C4' energy: -11.711 flat angles P-C4'-P energy: -2.621 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: 1, replica: 6 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -202.025099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.025099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.025099 (E_RNA) where: Base-Base interactions energy: -143.412 where: short stacking energy: -59.916 Base-Backbone interact. energy: -0.001 local terms energy: -58.612485 where: bonds (distance) C4'-P energy: -13.167 bonds (distance) P-C4' energy: -10.278 flat angles C4'-P-C4' energy: -12.459 flat angles P-C4'-P energy: -6.970 tors. eta vs tors. theta energy: -15.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -201.915779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.915779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.915779 (E_RNA) where: Base-Base interactions energy: -138.421 where: short stacking energy: -58.373 Base-Backbone interact. energy: -0.005 local terms energy: -63.490134 where: bonds (distance) C4'-P energy: -11.980 bonds (distance) P-C4' energy: -13.873 flat angles C4'-P-C4' energy: -11.387 flat angles P-C4'-P energy: -8.374 tors. eta vs tors. theta energy: -17.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -199.866500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.866500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.866500 (E_RNA) where: Base-Base interactions energy: -140.253 where: short stacking energy: -53.896 Base-Backbone interact. energy: -0.177 local terms energy: -59.436773 where: bonds (distance) C4'-P energy: -11.285 bonds (distance) P-C4' energy: -10.104 flat angles C4'-P-C4' energy: -13.025 flat angles P-C4'-P energy: -9.028 tors. eta vs tors. theta energy: -15.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -194.247317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.247317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.247317 (E_RNA) where: Base-Base interactions energy: -133.530 where: short stacking energy: -58.446 Base-Backbone interact. energy: 0.228 local terms energy: -60.944564 where: bonds (distance) C4'-P energy: -13.171 bonds (distance) P-C4' energy: -10.539 flat angles C4'-P-C4' energy: -12.689 flat angles P-C4'-P energy: -11.203 tors. eta vs tors. theta energy: -13.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -199.182038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.182038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.182038 (E_RNA) where: Base-Base interactions energy: -135.199 where: short stacking energy: -60.346 Base-Backbone interact. energy: -0.000 local terms energy: -63.983210 where: bonds (distance) C4'-P energy: -11.809 bonds (distance) P-C4' energy: -12.570 flat angles C4'-P-C4' energy: -13.548 flat angles P-C4'-P energy: -9.701 tors. eta vs tors. theta energy: -16.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -86.353084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.353084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.353084 (E_RNA) where: Base-Base interactions energy: -48.307 where: short stacking energy: -28.401 Base-Backbone interact. energy: -0.015 local terms energy: -38.031205 where: bonds (distance) C4'-P energy: -8.043 bonds (distance) P-C4' energy: -9.566 flat angles C4'-P-C4' energy: -8.027 flat angles P-C4'-P energy: -6.080 tors. eta vs tors. theta energy: -6.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -72.955838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.955838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.955838 (E_RNA) where: Base-Base interactions energy: -30.709 where: short stacking energy: -29.341 Base-Backbone interact. energy: -0.173 local terms energy: -42.074003 where: bonds (distance) C4'-P energy: -9.881 bonds (distance) P-C4' energy: -8.940 flat angles C4'-P-C4' energy: -12.413 flat angles P-C4'-P energy: -3.589 tors. eta vs tors. theta energy: -7.251 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: 4 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -62.509341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.509341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.509341 (E_RNA) where: Base-Base interactions energy: -28.544 where: short stacking energy: -28.544 Base-Backbone interact. energy: -0.101 local terms energy: -33.864330 where: bonds (distance) C4'-P energy: -11.002 bonds (distance) P-C4' energy: -10.693 flat angles C4'-P-C4' energy: -6.762 flat angles P-C4'-P energy: -4.414 tors. eta vs tors. theta energy: -0.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -74.979488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.979488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.979488 (E_RNA) where: Base-Base interactions energy: -26.727 where: short stacking energy: -21.653 Base-Backbone interact. energy: -0.317 local terms energy: -47.935845 where: bonds (distance) C4'-P energy: -12.220 bonds (distance) P-C4' energy: -8.481 flat angles C4'-P-C4' energy: -13.256 flat angles P-C4'-P energy: -6.619 tors. eta vs tors. theta energy: -7.360 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: 8 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -59.437791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.437791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.437791 (E_RNA) where: Base-Base interactions energy: -23.390 where: short stacking energy: -20.498 Base-Backbone interact. energy: -0.068 local terms energy: -35.979970 where: bonds (distance) C4'-P energy: -4.121 bonds (distance) P-C4' energy: -12.817 flat angles C4'-P-C4' energy: -10.436 flat angles P-C4'-P energy: -8.576 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: 1, replica: 6 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -203.553702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.553702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.553702 (E_RNA) where: Base-Base interactions energy: -137.011 where: short stacking energy: -60.115 Base-Backbone interact. energy: -0.002 local terms energy: -66.540715 where: bonds (distance) C4'-P energy: -10.530 bonds (distance) P-C4' energy: -15.312 flat angles C4'-P-C4' energy: -14.193 flat angles P-C4'-P energy: -9.709 tors. eta vs tors. theta energy: -16.797 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: 113 Temperature: 0.950000 Total energy: -201.785967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.785967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.785967 (E_RNA) where: Base-Base interactions energy: -138.902 where: short stacking energy: -60.609 Base-Backbone interact. energy: -0.001 local terms energy: -62.882855 where: bonds (distance) C4'-P energy: -12.829 bonds (distance) P-C4' energy: -12.659 flat angles C4'-P-C4' energy: -13.911 flat angles P-C4'-P energy: -6.538 tors. eta vs tors. theta energy: -16.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -200.937684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.937684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.937684 (E_RNA) where: Base-Base interactions energy: -136.954 where: short stacking energy: -62.598 Base-Backbone interact. energy: -0.003 local terms energy: -63.981302 where: bonds (distance) C4'-P energy: -14.075 bonds (distance) P-C4' energy: -12.333 flat angles C4'-P-C4' energy: -12.387 flat angles P-C4'-P energy: -8.644 tors. eta vs tors. theta energy: -16.542 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: 113 Temperature: 1.050000 Total energy: -198.242797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.242797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.242797 (E_RNA) where: Base-Base interactions energy: -137.473 where: short stacking energy: -59.428 Base-Backbone interact. energy: -0.006 local terms energy: -60.764049 where: bonds (distance) C4'-P energy: -11.115 bonds (distance) P-C4' energy: -12.884 flat angles C4'-P-C4' energy: -13.684 flat angles P-C4'-P energy: -8.599 tors. eta vs tors. theta energy: -14.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -186.803333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.803333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.803333 (E_RNA) where: Base-Base interactions energy: -130.530 where: short stacking energy: -59.819 Base-Backbone interact. energy: -0.001 local terms energy: -56.272341 where: bonds (distance) C4'-P energy: -11.006 bonds (distance) P-C4' energy: -9.207 flat angles C4'-P-C4' energy: -13.042 flat angles P-C4'-P energy: -8.832 tors. eta vs tors. theta energy: -14.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -98.617792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.617792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.617792 (E_RNA) where: Base-Base interactions energy: -47.985 where: short stacking energy: -35.351 Base-Backbone interact. energy: -0.368 local terms energy: -50.264286 where: bonds (distance) C4'-P energy: -12.229 bonds (distance) P-C4' energy: -13.092 flat angles C4'-P-C4' energy: -7.965 flat angles P-C4'-P energy: -8.781 tors. eta vs tors. theta energy: -8.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -73.220044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.220044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.220044 (E_RNA) where: Base-Base interactions energy: -23.128 where: short stacking energy: -19.680 Base-Backbone interact. energy: -0.701 local terms energy: -49.391307 where: bonds (distance) C4'-P energy: -9.723 bonds (distance) P-C4' energy: -12.796 flat angles C4'-P-C4' energy: -12.181 flat angles P-C4'-P energy: -9.565 tors. eta vs tors. theta energy: -5.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -67.292866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.292866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.292866 (E_RNA) where: Base-Base interactions energy: -29.471 where: short stacking energy: -18.929 Base-Backbone interact. energy: -0.642 local terms energy: -37.179834 where: bonds (distance) C4'-P energy: -13.139 bonds (distance) P-C4' energy: -13.361 flat angles C4'-P-C4' energy: -10.923 flat angles P-C4'-P energy: -2.936 tors. eta vs tors. theta energy: 3.179 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: 4 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -69.788879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.788879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.788879 (E_RNA) where: Base-Base interactions energy: -26.275 where: short stacking energy: -26.235 Base-Backbone interact. energy: -0.306 local terms energy: -43.208260 where: bonds (distance) C4'-P energy: -10.965 bonds (distance) P-C4' energy: -13.744 flat angles C4'-P-C4' energy: -9.405 flat angles P-C4'-P energy: -7.059 tors. eta vs tors. theta energy: -2.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -61.310497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.310497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.310497 (E_RNA) where: Base-Base interactions energy: -21.311 where: short stacking energy: -20.453 Base-Backbone interact. energy: 0.500 local terms energy: -40.500287 where: bonds (distance) C4'-P energy: -11.553 bonds (distance) P-C4' energy: -14.554 flat angles C4'-P-C4' energy: -6.937 flat angles P-C4'-P energy: -6.967 tors. eta vs tors. theta energy: -0.490 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: 1, replica: 5 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -198.276770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.276770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.276770 (E_RNA) where: Base-Base interactions energy: -137.665 where: short stacking energy: -59.330 Base-Backbone interact. energy: -0.001 local terms energy: -60.611361 where: bonds (distance) C4'-P energy: -12.308 bonds (distance) P-C4' energy: -9.823 flat angles C4'-P-C4' energy: -13.892 flat angles P-C4'-P energy: -8.415 tors. eta vs tors. theta energy: -16.173 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: 6 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -200.416321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.416321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.416321 (E_RNA) where: Base-Base interactions energy: -135.583 where: short stacking energy: -57.328 Base-Backbone interact. energy: -0.001 local terms energy: -64.832237 where: bonds (distance) C4'-P energy: -13.388 bonds (distance) P-C4' energy: -13.205 flat angles C4'-P-C4' energy: -14.276 flat angles P-C4'-P energy: -7.775 tors. eta vs tors. theta energy: -16.188 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: 2 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -187.706673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.706673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.706673 (E_RNA) where: Base-Base interactions energy: -124.947 where: short stacking energy: -51.868 Base-Backbone interact. energy: -0.499 local terms energy: -62.260814 where: bonds (distance) C4'-P energy: -13.267 bonds (distance) P-C4' energy: -15.340 flat angles C4'-P-C4' energy: -9.249 flat angles P-C4'-P energy: -9.211 tors. eta vs tors. theta energy: -15.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -190.153697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.153697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.153697 (E_RNA) where: Base-Base interactions energy: -134.615 where: short stacking energy: -58.366 Base-Backbone interact. energy: -0.010 local terms energy: -55.529101 where: bonds (distance) C4'-P energy: -10.486 bonds (distance) P-C4' energy: -10.243 flat angles C4'-P-C4' energy: -12.931 flat angles P-C4'-P energy: -6.976 tors. eta vs tors. theta energy: -14.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -171.931442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.931442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.931442 (E_RNA) where: Base-Base interactions energy: -119.983 where: short stacking energy: -44.204 Base-Backbone interact. energy: -0.108 local terms energy: -51.840207 where: bonds (distance) C4'-P energy: -12.655 bonds (distance) P-C4' energy: -10.862 flat angles C4'-P-C4' energy: -10.640 flat angles P-C4'-P energy: -6.561 tors. eta vs tors. theta energy: -11.122 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: 10 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -103.800327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.800327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.800327 (E_RNA) where: Base-Base interactions energy: -50.627 where: short stacking energy: -32.768 Base-Backbone interact. energy: -0.115 local terms energy: -53.058584 where: bonds (distance) C4'-P energy: -14.385 bonds (distance) P-C4' energy: -13.131 flat angles C4'-P-C4' energy: -9.816 flat angles P-C4'-P energy: -7.633 tors. eta vs tors. theta energy: -8.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -80.162081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.162081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.162081 (E_RNA) where: Base-Base interactions energy: -38.281 where: short stacking energy: -37.944 Base-Backbone interact. energy: -0.012 local terms energy: -41.868544 where: bonds (distance) C4'-P energy: -11.545 bonds (distance) P-C4' energy: -10.848 flat angles C4'-P-C4' energy: -6.572 flat angles P-C4'-P energy: -6.332 tors. eta vs tors. theta energy: -6.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -69.913159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.913159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.913159 (E_RNA) where: Base-Base interactions energy: -32.657 where: short stacking energy: -28.144 Base-Backbone interact. energy: -0.244 local terms energy: -37.012414 where: bonds (distance) C4'-P energy: -9.645 bonds (distance) P-C4' energy: -12.408 flat angles C4'-P-C4' energy: -8.796 flat angles P-C4'-P energy: -2.329 tors. eta vs tors. theta energy: -3.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -69.652007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.652007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.652007 (E_RNA) where: Base-Base interactions energy: -22.625 where: short stacking energy: -22.625 Base-Backbone interact. energy: -0.122 local terms energy: -46.905379 where: bonds (distance) C4'-P energy: -10.805 bonds (distance) P-C4' energy: -8.608 flat angles C4'-P-C4' energy: -13.731 flat angles P-C4'-P energy: -10.827 tors. eta vs tors. theta energy: -2.935 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: 10, replica: 4 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -60.192848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.192848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.192848 (E_RNA) where: Base-Base interactions energy: -26.835 where: short stacking energy: -25.275 Base-Backbone interact. energy: -0.019 local terms energy: -33.338760 where: bonds (distance) C4'-P energy: -9.711 bonds (distance) P-C4' energy: -9.817 flat angles C4'-P-C4' energy: -11.778 flat angles P-C4'-P energy: -0.601 tors. eta vs tors. theta energy: -1.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -200.072735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.072735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.072735 (E_RNA) where: Base-Base interactions energy: -136.270 where: short stacking energy: -61.135 Base-Backbone interact. energy: -0.122 local terms energy: -63.681191 where: bonds (distance) C4'-P energy: -12.427 bonds (distance) P-C4' energy: -13.645 flat angles C4'-P-C4' energy: -11.937 flat angles P-C4'-P energy: -8.831 tors. eta vs tors. theta energy: -16.841 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: 6 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -198.786985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.786985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.786985 (E_RNA) where: Base-Base interactions energy: -135.566 where: short stacking energy: -60.275 Base-Backbone interact. energy: -0.001 local terms energy: -63.219693 where: bonds (distance) C4'-P energy: -12.125 bonds (distance) P-C4' energy: -14.417 flat angles C4'-P-C4' energy: -15.054 flat angles P-C4'-P energy: -5.550 tors. eta vs tors. theta energy: -16.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -193.536054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.536054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.536054 (E_RNA) where: Base-Base interactions energy: -132.787 where: short stacking energy: -58.931 Base-Backbone interact. energy: -0.001 local terms energy: -60.747136 where: bonds (distance) C4'-P energy: -10.034 bonds (distance) P-C4' energy: -13.156 flat angles C4'-P-C4' energy: -11.273 flat angles P-C4'-P energy: -8.631 tors. eta vs tors. theta energy: -17.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -186.434090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.434090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.434090 (E_RNA) where: Base-Base interactions energy: -130.122 where: short stacking energy: -52.645 Base-Backbone interact. energy: -0.009 local terms energy: -56.303434 where: bonds (distance) C4'-P energy: -11.020 bonds (distance) P-C4' energy: -12.393 flat angles C4'-P-C4' energy: -11.760 flat angles P-C4'-P energy: -6.172 tors. eta vs tors. theta energy: -14.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -183.329580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.329580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.329580 (E_RNA) where: Base-Base interactions energy: -126.390 where: short stacking energy: -55.655 Base-Backbone interact. energy: -0.055 local terms energy: -56.884529 where: bonds (distance) C4'-P energy: -11.996 bonds (distance) P-C4' energy: -10.484 flat angles C4'-P-C4' energy: -12.496 flat angles P-C4'-P energy: -8.092 tors. eta vs tors. theta energy: -13.816 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: 6, replica: 3 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -78.008467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.008467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.008467 (E_RNA) where: Base-Base interactions energy: -32.336 where: short stacking energy: -30.224 Base-Backbone interact. energy: -0.002 local terms energy: -45.670128 where: bonds (distance) C4'-P energy: -10.160 bonds (distance) P-C4' energy: -14.876 flat angles C4'-P-C4' energy: -8.038 flat angles P-C4'-P energy: -6.881 tors. eta vs tors. theta energy: -5.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -88.262989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.262989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.262989 (E_RNA) where: Base-Base interactions energy: -46.195 where: short stacking energy: -26.397 Base-Backbone interact. energy: -0.120 local terms energy: -41.948361 where: bonds (distance) C4'-P energy: -7.335 bonds (distance) P-C4' energy: -9.551 flat angles C4'-P-C4' energy: -12.622 flat angles P-C4'-P energy: -9.755 tors. eta vs tors. theta energy: -2.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -75.109464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.109464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.109464 (E_RNA) where: Base-Base interactions energy: -32.415 where: short stacking energy: -32.415 Base-Backbone interact. energy: -0.066 local terms energy: -42.628431 where: bonds (distance) C4'-P energy: -8.701 bonds (distance) P-C4' energy: -14.290 flat angles C4'-P-C4' energy: -7.186 flat angles P-C4'-P energy: -6.816 tors. eta vs tors. theta energy: -5.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -69.826244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.826244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.826244 (E_RNA) where: Base-Base interactions energy: -25.708 where: short stacking energy: -25.708 Base-Backbone interact. energy: -0.100 local terms energy: -44.017642 where: bonds (distance) C4'-P energy: -13.834 bonds (distance) P-C4' energy: -11.958 flat angles C4'-P-C4' energy: -9.979 flat angles P-C4'-P energy: -6.671 tors. eta vs tors. theta energy: -1.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -61.188022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.188022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.188022 (E_RNA) where: Base-Base interactions energy: -27.192 where: short stacking energy: -19.646 Base-Backbone interact. energy: -0.170 local terms energy: -33.825863 where: bonds (distance) C4'-P energy: -5.230 bonds (distance) P-C4' energy: -10.834 flat angles C4'-P-C4' energy: -5.461 flat angles P-C4'-P energy: -8.923 tors. eta vs tors. theta energy: -3.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -203.562261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.562261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.562261 (E_RNA) where: Base-Base interactions energy: -138.144 where: short stacking energy: -57.934 Base-Backbone interact. energy: -0.003 local terms energy: -65.414862 where: bonds (distance) C4'-P energy: -8.847 bonds (distance) P-C4' energy: -12.855 flat angles C4'-P-C4' energy: -14.905 flat angles P-C4'-P energy: -11.074 tors. eta vs tors. theta energy: -17.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -193.776285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.776285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.776285 (E_RNA) where: Base-Base interactions energy: -133.249 where: short stacking energy: -51.444 Base-Backbone interact. energy: 0.341 local terms energy: -60.868501 where: bonds (distance) C4'-P energy: -13.371 bonds (distance) P-C4' energy: -11.497 flat angles C4'-P-C4' energy: -11.835 flat angles P-C4'-P energy: -11.269 tors. eta vs tors. theta energy: -12.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -198.474297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.474297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.474297 (E_RNA) where: Base-Base interactions energy: -134.974 where: short stacking energy: -59.185 Base-Backbone interact. energy: -0.001 local terms energy: -63.499711 where: bonds (distance) C4'-P energy: -12.336 bonds (distance) P-C4' energy: -11.154 flat angles C4'-P-C4' energy: -13.160 flat angles P-C4'-P energy: -10.231 tors. eta vs tors. theta energy: -16.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -192.882307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.882307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.882307 (E_RNA) where: Base-Base interactions energy: -137.924 where: short stacking energy: -59.281 Base-Backbone interact. energy: -0.300 local terms energy: -54.658238 where: bonds (distance) C4'-P energy: -7.844 bonds (distance) P-C4' energy: -12.484 flat angles C4'-P-C4' energy: -10.880 flat angles P-C4'-P energy: -7.373 tors. eta vs tors. theta energy: -16.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -192.324305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.324305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.324305 (E_RNA) where: Base-Base interactions energy: -139.541 where: short stacking energy: -58.339 Base-Backbone interact. energy: 0.176 local terms energy: -52.959635 where: bonds (distance) C4'-P energy: -10.306 bonds (distance) P-C4' energy: -13.346 flat angles C4'-P-C4' energy: -10.649 flat angles P-C4'-P energy: -3.481 tors. eta vs tors. theta energy: -15.178 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: 3 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -71.779030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.779030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.779030 (E_RNA) where: Base-Base interactions energy: -23.883 where: short stacking energy: -19.016 Base-Backbone interact. energy: -0.123 local terms energy: -47.772980 where: bonds (distance) C4'-P energy: -11.600 bonds (distance) P-C4' energy: -13.311 flat angles C4'-P-C4' energy: -8.125 flat angles P-C4'-P energy: -9.760 tors. eta vs tors. theta energy: -4.978 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: 7, replica: 8 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -75.039797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.039797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.039797 (E_RNA) where: Base-Base interactions energy: -30.344 where: short stacking energy: -30.344 Base-Backbone interact. energy: -0.038 local terms energy: -44.657995 where: bonds (distance) C4'-P energy: -8.854 bonds (distance) P-C4' energy: -11.806 flat angles C4'-P-C4' energy: -12.637 flat angles P-C4'-P energy: -4.576 tors. eta vs tors. theta energy: -6.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -157.569137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.569137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.569137 (E_RNA) where: Base-Base interactions energy: -103.126 where: short stacking energy: -40.171 Base-Backbone interact. energy: 0.717 local terms energy: -55.160051 where: bonds (distance) C4'-P energy: -11.325 bonds (distance) P-C4' energy: -14.131 flat angles C4'-P-C4' energy: -13.983 flat angles P-C4'-P energy: -6.525 tors. eta vs tors. theta energy: -9.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -75.268873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.268873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.268873 (E_RNA) where: Base-Base interactions energy: -30.476 where: short stacking energy: -30.476 Base-Backbone interact. energy: -0.000 local terms energy: -44.792433 where: bonds (distance) C4'-P energy: -11.942 bonds (distance) P-C4' energy: -10.852 flat angles C4'-P-C4' energy: -9.207 flat angles P-C4'-P energy: -6.947 tors. eta vs tors. theta energy: -5.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -62.203547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.203547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.203547 (E_RNA) where: Base-Base interactions energy: -20.859 where: short stacking energy: -20.859 Base-Backbone interact. energy: -0.292 local terms energy: -41.051834 where: bonds (distance) C4'-P energy: -11.863 bonds (distance) P-C4' energy: -11.331 flat angles C4'-P-C4' energy: -10.256 flat angles P-C4'-P energy: -7.509 tors. eta vs tors. theta energy: -0.093 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: 6 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -203.051954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.051954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.051954 (E_RNA) where: Base-Base interactions energy: -136.458 where: short stacking energy: -56.184 Base-Backbone interact. energy: -0.020 local terms energy: -66.573880 where: bonds (distance) C4'-P energy: -13.185 bonds (distance) P-C4' energy: -12.163 flat angles C4'-P-C4' energy: -15.052 flat angles P-C4'-P energy: -9.053 tors. eta vs tors. theta energy: -17.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -186.717277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.717277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.717277 (E_RNA) where: Base-Base interactions energy: -125.482 where: short stacking energy: -53.171 Base-Backbone interact. energy: -0.621 local terms energy: -60.614214 where: bonds (distance) C4'-P energy: -12.459 bonds (distance) P-C4' energy: -13.071 flat angles C4'-P-C4' energy: -12.700 flat angles P-C4'-P energy: -6.228 tors. eta vs tors. theta energy: -16.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -193.788718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.788718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.788718 (E_RNA) where: Base-Base interactions energy: -137.379 where: short stacking energy: -60.622 Base-Backbone interact. energy: -0.012 local terms energy: -56.397908 where: bonds (distance) C4'-P energy: -11.495 bonds (distance) P-C4' energy: -12.165 flat angles C4'-P-C4' energy: -10.942 flat angles P-C4'-P energy: -7.866 tors. eta vs tors. theta energy: -13.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -193.868392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.868392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.868392 (E_RNA) where: Base-Base interactions energy: -135.092 where: short stacking energy: -57.051 Base-Backbone interact. energy: -0.067 local terms energy: -58.709497 where: bonds (distance) C4'-P energy: -12.024 bonds (distance) P-C4' energy: -9.914 flat angles C4'-P-C4' energy: -12.094 flat angles P-C4'-P energy: -6.718 tors. eta vs tors. theta energy: -17.959 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: 9 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -190.432067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.432067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.432067 (E_RNA) where: Base-Base interactions energy: -132.296 where: short stacking energy: -56.488 Base-Backbone interact. energy: -0.012 local terms energy: -58.123701 where: bonds (distance) C4'-P energy: -11.259 bonds (distance) P-C4' energy: -12.659 flat angles C4'-P-C4' energy: -12.958 flat angles P-C4'-P energy: -5.718 tors. eta vs tors. theta energy: -15.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -83.998667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.998667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.998667 (E_RNA) where: Base-Base interactions energy: -38.613 where: short stacking energy: -35.378 Base-Backbone interact. energy: 1.137 local terms energy: -46.522620 where: bonds (distance) C4'-P energy: -10.452 bonds (distance) P-C4' energy: -10.750 flat angles C4'-P-C4' energy: -10.696 flat angles P-C4'-P energy: -7.900 tors. eta vs tors. theta energy: -6.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -79.325708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.325708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.325708 (E_RNA) where: Base-Base interactions energy: -35.159 where: short stacking energy: -35.008 Base-Backbone interact. energy: -0.284 local terms energy: -43.883174 where: bonds (distance) C4'-P energy: -12.945 bonds (distance) P-C4' energy: -9.010 flat angles C4'-P-C4' energy: -10.265 flat angles P-C4'-P energy: -2.666 tors. eta vs tors. theta energy: -8.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -162.357511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.357511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.357511 (E_RNA) where: Base-Base interactions energy: -104.313 where: short stacking energy: -47.129 Base-Backbone interact. energy: -0.041 local terms energy: -58.003352 where: bonds (distance) C4'-P energy: -11.880 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -12.476 flat angles P-C4'-P energy: -10.485 tors. eta vs tors. theta energy: -14.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -81.749105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.749105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.749105 (E_RNA) where: Base-Base interactions energy: -41.933 where: short stacking energy: -26.620 Base-Backbone interact. energy: -0.000 local terms energy: -39.816018 where: bonds (distance) C4'-P energy: -13.764 bonds (distance) P-C4' energy: -9.261 flat angles C4'-P-C4' energy: -9.492 flat angles P-C4'-P energy: -0.120 tors. eta vs tors. theta energy: -7.179 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: 1 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -75.194277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.194277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.194277 (E_RNA) where: Base-Base interactions energy: -32.515 where: short stacking energy: -24.944 Base-Backbone interact. energy: -0.157 local terms energy: -42.521546 where: bonds (distance) C4'-P energy: -9.383 bonds (distance) P-C4' energy: -9.250 flat angles C4'-P-C4' energy: -12.920 flat angles P-C4'-P energy: -5.500 tors. eta vs tors. theta energy: -5.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -195.169272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.169272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.169272 (E_RNA) where: Base-Base interactions energy: -141.952 where: short stacking energy: -46.390 Base-Backbone interact. energy: -0.060 local terms energy: -53.157571 where: bonds (distance) C4'-P energy: -10.514 bonds (distance) P-C4' energy: -15.336 flat angles C4'-P-C4' energy: -9.692 flat angles P-C4'-P energy: -8.049 tors. eta vs tors. theta energy: -9.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -196.560296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.560296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.560296 (E_RNA) where: Base-Base interactions energy: -132.378 where: short stacking energy: -49.689 Base-Backbone interact. energy: -0.003 local terms energy: -64.178629 where: bonds (distance) C4'-P energy: -12.651 bonds (distance) P-C4' energy: -14.686 flat angles C4'-P-C4' energy: -11.941 flat angles P-C4'-P energy: -9.787 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: 3, replica: 2 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -201.019597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.019597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.019597 (E_RNA) where: Base-Base interactions energy: -139.659 where: short stacking energy: -58.404 Base-Backbone interact. energy: -0.000 local terms energy: -61.360038 where: bonds (distance) C4'-P energy: -13.888 bonds (distance) P-C4' energy: -12.426 flat angles C4'-P-C4' energy: -12.075 flat angles P-C4'-P energy: -5.688 tors. eta vs tors. theta energy: -17.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -194.434796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.434796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.434796 (E_RNA) where: Base-Base interactions energy: -135.005 where: short stacking energy: -54.947 Base-Backbone interact. energy: -0.002 local terms energy: -59.427567 where: bonds (distance) C4'-P energy: -9.499 bonds (distance) P-C4' energy: -13.895 flat angles C4'-P-C4' energy: -13.373 flat angles P-C4'-P energy: -8.318 tors. eta vs tors. theta energy: -14.343 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: 9 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -171.577623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.577623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.577623 (E_RNA) where: Base-Base interactions energy: -117.039 where: short stacking energy: -52.971 Base-Backbone interact. energy: 0.705 local terms energy: -55.242850 where: bonds (distance) C4'-P energy: -13.818 bonds (distance) P-C4' energy: -10.478 flat angles C4'-P-C4' energy: -11.169 flat angles P-C4'-P energy: -8.077 tors. eta vs tors. theta energy: -11.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -77.475120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.475120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.475120 (E_RNA) where: Base-Base interactions energy: -26.534 where: short stacking energy: -26.534 Base-Backbone interact. energy: -0.010 local terms energy: -50.931998 where: bonds (distance) C4'-P energy: -9.835 bonds (distance) P-C4' energy: -14.864 flat angles C4'-P-C4' energy: -13.707 flat angles P-C4'-P energy: -9.278 tors. eta vs tors. theta energy: -3.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -160.103163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.103163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.103163 (E_RNA) where: Base-Base interactions energy: -108.639 where: short stacking energy: -46.180 Base-Backbone interact. energy: -0.113 local terms energy: -51.351037 where: bonds (distance) C4'-P energy: -8.954 bonds (distance) P-C4' energy: -13.042 flat angles C4'-P-C4' energy: -10.563 flat angles P-C4'-P energy: -6.990 tors. eta vs tors. theta energy: -11.801 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: 3 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -72.015892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.015892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.015892 (E_RNA) where: Base-Base interactions energy: -23.229 where: short stacking energy: -23.229 Base-Backbone interact. energy: -0.008 local terms energy: -48.778342 where: bonds (distance) C4'-P energy: -12.812 bonds (distance) P-C4' energy: -13.251 flat angles C4'-P-C4' energy: -13.907 flat angles P-C4'-P energy: -6.105 tors. eta vs tors. theta energy: -2.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -65.354738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.354738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.354738 (E_RNA) where: Base-Base interactions energy: -30.553 where: short stacking energy: -21.058 Base-Backbone interact. energy: -0.367 local terms energy: -34.434885 where: bonds (distance) C4'-P energy: -8.710 bonds (distance) P-C4' energy: -10.684 flat angles C4'-P-C4' energy: -9.938 flat angles P-C4'-P energy: -5.480 tors. eta vs tors. theta energy: 0.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -71.520387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.520387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.520387 (E_RNA) where: Base-Base interactions energy: -27.929 where: short stacking energy: -27.509 Base-Backbone interact. energy: -0.153 local terms energy: -43.438496 where: bonds (distance) C4'-P energy: -10.795 bonds (distance) P-C4' energy: -10.702 flat angles C4'-P-C4' energy: -8.397 flat angles P-C4'-P energy: -5.980 tors. eta vs tors. theta energy: -7.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -204.170873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.170873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.170873 (E_RNA) where: Base-Base interactions energy: -136.378 where: short stacking energy: -59.972 Base-Backbone interact. energy: -0.038 local terms energy: -67.754728 where: bonds (distance) C4'-P energy: -14.199 bonds (distance) P-C4' energy: -14.818 flat angles C4'-P-C4' energy: -14.655 flat angles P-C4'-P energy: -9.984 tors. eta vs tors. theta energy: -14.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -200.218861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.218861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.218861 (E_RNA) where: Base-Base interactions energy: -137.832 where: short stacking energy: -60.022 Base-Backbone interact. energy: -0.113 local terms energy: -62.273129 where: bonds (distance) C4'-P energy: -10.443 bonds (distance) P-C4' energy: -13.283 flat angles C4'-P-C4' energy: -14.666 flat angles P-C4'-P energy: -6.582 tors. eta vs tors. theta energy: -17.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -196.861702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.861702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.861702 (E_RNA) where: Base-Base interactions energy: -136.251 where: short stacking energy: -55.005 Base-Backbone interact. energy: -0.002 local terms energy: -60.608757 where: bonds (distance) C4'-P energy: -12.253 bonds (distance) P-C4' energy: -13.100 flat angles C4'-P-C4' energy: -11.307 flat angles P-C4'-P energy: -9.675 tors. eta vs tors. theta energy: -14.274 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: 119 Temperature: 1.050000 Total energy: -192.330557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.330557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.330557 (E_RNA) where: Base-Base interactions energy: -130.329 where: short stacking energy: -51.151 Base-Backbone interact. energy: -0.528 local terms energy: -61.473503 where: bonds (distance) C4'-P energy: -12.050 bonds (distance) P-C4' energy: -13.708 flat angles C4'-P-C4' energy: -14.158 flat angles P-C4'-P energy: -5.048 tors. eta vs tors. theta energy: -16.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -194.004822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.004822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.004822 (E_RNA) where: Base-Base interactions energy: -134.604 where: short stacking energy: -56.714 Base-Backbone interact. energy: -0.088 local terms energy: -59.313343 where: bonds (distance) C4'-P energy: -11.996 bonds (distance) P-C4' energy: -11.923 flat angles C4'-P-C4' energy: -14.137 flat angles P-C4'-P energy: -4.770 tors. eta vs tors. theta energy: -16.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -188.204608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.204608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.204608 (E_RNA) where: Base-Base interactions energy: -132.463 where: short stacking energy: -51.906 Base-Backbone interact. energy: -0.002 local terms energy: -55.739338 where: bonds (distance) C4'-P energy: -10.818 bonds (distance) P-C4' energy: -9.331 flat angles C4'-P-C4' energy: -13.064 flat angles P-C4'-P energy: -8.349 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: 7, replica: 8 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -82.428991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.428991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.428991 (E_RNA) where: Base-Base interactions energy: -34.158 where: short stacking energy: -34.158 Base-Backbone interact. energy: -0.023 local terms energy: -48.248487 where: bonds (distance) C4'-P energy: -10.469 bonds (distance) P-C4' energy: -8.653 flat angles C4'-P-C4' energy: -10.854 flat angles P-C4'-P energy: -9.033 tors. eta vs tors. theta energy: -9.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -70.650263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.650263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.650263 (E_RNA) where: Base-Base interactions energy: -28.086 where: short stacking energy: -25.770 Base-Backbone interact. energy: -2.026 local terms energy: -40.538683 where: bonds (distance) C4'-P energy: -13.080 bonds (distance) P-C4' energy: -11.409 flat angles C4'-P-C4' energy: -7.809 flat angles P-C4'-P energy: -3.215 tors. eta vs tors. theta energy: -5.025 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: 9, replica: 3 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -69.564251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.564251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.564251 (E_RNA) where: Base-Base interactions energy: -43.106 where: short stacking energy: -25.829 Base-Backbone interact. energy: -0.481 local terms energy: -25.977433 where: bonds (distance) C4'-P energy: -6.503 bonds (distance) P-C4' energy: -7.619 flat angles C4'-P-C4' energy: -5.940 flat angles P-C4'-P energy: -4.024 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: 4 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -72.587102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.587102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.587102 (E_RNA) where: Base-Base interactions energy: -35.125 where: short stacking energy: -25.785 Base-Backbone interact. energy: -2.157 local terms energy: -35.305234 where: bonds (distance) C4'-P energy: -8.246 bonds (distance) P-C4' energy: -11.501 flat angles C4'-P-C4' energy: -7.423 flat angles P-C4'-P energy: -5.287 tors. eta vs tors. theta energy: -2.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -205.073477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.073477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.073477 (E_RNA) where: Base-Base interactions energy: -142.378 where: short stacking energy: -58.156 Base-Backbone interact. energy: -0.450 local terms energy: -62.245682 where: bonds (distance) C4'-P energy: -10.134 bonds (distance) P-C4' energy: -14.339 flat angles C4'-P-C4' energy: -12.580 flat angles P-C4'-P energy: -6.804 tors. eta vs tors. theta energy: -18.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -196.187504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.187504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.187504 (E_RNA) where: Base-Base interactions energy: -135.637 where: short stacking energy: -60.191 Base-Backbone interact. energy: -0.001 local terms energy: -60.549221 where: bonds (distance) C4'-P energy: -10.141 bonds (distance) P-C4' energy: -13.141 flat angles C4'-P-C4' energy: -13.545 flat angles P-C4'-P energy: -8.861 tors. eta vs tors. theta energy: -14.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -196.176137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.176137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.176137 (E_RNA) where: Base-Base interactions energy: -140.605 where: short stacking energy: -59.588 Base-Backbone interact. energy: -0.002 local terms energy: -55.569033 where: bonds (distance) C4'-P energy: -8.399 bonds (distance) P-C4' energy: -11.190 flat angles C4'-P-C4' energy: -13.072 flat angles P-C4'-P energy: -8.162 tors. eta vs tors. theta energy: -14.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -185.707619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.707619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.707619 (E_RNA) where: Base-Base interactions energy: -124.149 where: short stacking energy: -54.837 Base-Backbone interact. energy: -0.055 local terms energy: -61.503755 where: bonds (distance) C4'-P energy: -12.630 bonds (distance) P-C4' energy: -13.439 flat angles C4'-P-C4' energy: -12.078 flat angles P-C4'-P energy: -8.191 tors. eta vs tors. theta energy: -15.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -180.886905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.886905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.886905 (E_RNA) where: Base-Base interactions energy: -121.677 where: short stacking energy: -48.313 Base-Backbone interact. energy: -0.000 local terms energy: -59.209499 where: bonds (distance) C4'-P energy: -14.447 bonds (distance) P-C4' energy: -10.478 flat angles C4'-P-C4' energy: -11.325 flat angles P-C4'-P energy: -9.637 tors. eta vs tors. theta energy: -13.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -191.640819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.640819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.640819 (E_RNA) where: Base-Base interactions energy: -140.342 where: short stacking energy: -63.339 Base-Backbone interact. energy: -0.042 local terms energy: -51.256847 where: bonds (distance) C4'-P energy: -10.622 bonds (distance) P-C4' energy: -6.657 flat angles C4'-P-C4' energy: -12.925 flat angles P-C4'-P energy: -5.482 tors. eta vs tors. theta energy: -15.571 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: 1 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -139.880655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.880655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.880655 (E_RNA) where: Base-Base interactions energy: -92.611 where: short stacking energy: -39.913 Base-Backbone interact. energy: -0.265 local terms energy: -47.005391 where: bonds (distance) C4'-P energy: -14.394 bonds (distance) P-C4' energy: -8.915 flat angles C4'-P-C4' energy: -9.001 flat angles P-C4'-P energy: -3.121 tors. eta vs tors. theta energy: -11.576 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: 8, replica: 8 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -73.005026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.005026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.005026 (E_RNA) where: Base-Base interactions energy: -29.133 where: short stacking energy: -21.086 Base-Backbone interact. energy: 0.849 local terms energy: -44.721537 where: bonds (distance) C4'-P energy: -10.362 bonds (distance) P-C4' energy: -12.557 flat angles C4'-P-C4' energy: -13.051 flat angles P-C4'-P energy: -1.576 tors. eta vs tors. theta energy: -7.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -63.706311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.706311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.706311 (E_RNA) where: Base-Base interactions energy: -29.818 where: short stacking energy: -18.527 Base-Backbone interact. energy: -0.178 local terms energy: -33.710498 where: bonds (distance) C4'-P energy: -10.961 bonds (distance) P-C4' energy: -10.500 flat angles C4'-P-C4' energy: -7.782 flat angles P-C4'-P energy: -6.686 tors. eta vs tors. theta energy: 2.219 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: 10, replica: 3 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -90.436551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.436551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.436551 (E_RNA) where: Base-Base interactions energy: -41.145 where: short stacking energy: -33.556 Base-Backbone interact. energy: -0.026 local terms energy: -49.266338 where: bonds (distance) C4'-P energy: -11.673 bonds (distance) P-C4' energy: -14.106 flat angles C4'-P-C4' energy: -9.677 flat angles P-C4'-P energy: -9.914 tors. eta vs tors. theta energy: -3.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -203.369837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.369837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.369837 (E_RNA) where: Base-Base interactions energy: -139.802 where: short stacking energy: -59.088 Base-Backbone interact. energy: -0.169 local terms energy: -63.398751 where: bonds (distance) C4'-P energy: -12.491 bonds (distance) P-C4' energy: -14.417 flat angles C4'-P-C4' energy: -12.064 flat angles P-C4'-P energy: -7.164 tors. eta vs tors. theta energy: -17.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -200.919187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.919187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.919187 (E_RNA) where: Base-Base interactions energy: -137.819 where: short stacking energy: -58.381 Base-Backbone interact. energy: 0.264 local terms energy: -63.364303 where: bonds (distance) C4'-P energy: -12.460 bonds (distance) P-C4' energy: -13.253 flat angles C4'-P-C4' energy: -13.681 flat angles P-C4'-P energy: -9.632 tors. eta vs tors. theta energy: -14.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -194.117242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.117242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.117242 (E_RNA) where: Base-Base interactions energy: -134.226 where: short stacking energy: -54.045 Base-Backbone interact. energy: 0.248 local terms energy: -60.138851 where: bonds (distance) C4'-P energy: -10.145 bonds (distance) P-C4' energy: -13.304 flat angles C4'-P-C4' energy: -14.615 flat angles P-C4'-P energy: -9.110 tors. eta vs tors. theta energy: -12.964 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: 6 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -196.549985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.549985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.549985 (E_RNA) where: Base-Base interactions energy: -136.330 where: short stacking energy: -53.709 Base-Backbone interact. energy: -0.052 local terms energy: -60.167772 where: bonds (distance) C4'-P energy: -11.070 bonds (distance) P-C4' energy: -11.287 flat angles C4'-P-C4' energy: -13.137 flat angles P-C4'-P energy: -6.783 tors. eta vs tors. theta energy: -17.892 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: 10 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -181.946837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.946837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.946837 (E_RNA) where: Base-Base interactions energy: -129.342 where: short stacking energy: -52.241 Base-Backbone interact. energy: -0.000 local terms energy: -52.604408 where: bonds (distance) C4'-P energy: -10.360 bonds (distance) P-C4' energy: -11.398 flat angles C4'-P-C4' energy: -9.179 flat angles P-C4'-P energy: -7.598 tors. eta vs tors. theta energy: -14.069 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: 6, replica: 1 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -187.737812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.737812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.737812 (E_RNA) where: Base-Base interactions energy: -128.209 where: short stacking energy: -55.594 Base-Backbone interact. energy: 1.536 local terms energy: -61.064852 where: bonds (distance) C4'-P energy: -8.673 bonds (distance) P-C4' energy: -13.318 flat angles C4'-P-C4' energy: -14.332 flat angles P-C4'-P energy: -9.284 tors. eta vs tors. theta energy: -15.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -177.443989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.443989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.443989 (E_RNA) where: Base-Base interactions energy: -116.798 where: short stacking energy: -48.751 Base-Backbone interact. energy: -0.001 local terms energy: -60.644738 where: bonds (distance) C4'-P energy: -12.083 bonds (distance) P-C4' energy: -14.119 flat angles C4'-P-C4' energy: -14.711 flat angles P-C4'-P energy: -5.891 tors. eta vs tors. theta energy: -13.841 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: 8, replica: 4 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -73.420174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.420174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.420174 (E_RNA) where: Base-Base interactions energy: -29.817 where: short stacking energy: -25.591 Base-Backbone interact. energy: -0.006 local terms energy: -43.597476 where: bonds (distance) C4'-P energy: -8.052 bonds (distance) P-C4' energy: -6.590 flat angles C4'-P-C4' energy: -12.838 flat angles P-C4'-P energy: -10.990 tors. eta vs tors. theta energy: -5.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -71.255277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.255277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.255277 (E_RNA) where: Base-Base interactions energy: -21.014 where: short stacking energy: -21.014 Base-Backbone interact. energy: -0.053 local terms energy: -50.188199 where: bonds (distance) C4'-P energy: -11.243 bonds (distance) P-C4' energy: -13.529 flat angles C4'-P-C4' energy: -13.464 flat angles P-C4'-P energy: -6.993 tors. eta vs tors. theta energy: -4.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -60.020928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.020928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.020928 (E_RNA) where: Base-Base interactions energy: -35.689 where: short stacking energy: -18.974 Base-Backbone interact. energy: -0.750 local terms energy: -23.581928 where: bonds (distance) C4'-P energy: -5.032 bonds (distance) P-C4' energy: -8.796 flat angles C4'-P-C4' energy: -6.812 flat angles P-C4'-P energy: -5.130 tors. eta vs tors. theta energy: 2.188 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: 9 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -207.684733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.684733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.684733 (E_RNA) where: Base-Base interactions energy: -145.449 where: short stacking energy: -63.765 Base-Backbone interact. energy: -0.001 local terms energy: -62.234674 where: bonds (distance) C4'-P energy: -10.729 bonds (distance) P-C4' energy: -10.879 flat angles C4'-P-C4' energy: -13.212 flat angles P-C4'-P energy: -10.903 tors. eta vs tors. theta energy: -16.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -198.611425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.611425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.611425 (E_RNA) where: Base-Base interactions energy: -135.447 where: short stacking energy: -59.685 Base-Backbone interact. energy: -0.001 local terms energy: -63.163443 where: bonds (distance) C4'-P energy: -10.398 bonds (distance) P-C4' energy: -14.389 flat angles C4'-P-C4' energy: -13.516 flat angles P-C4'-P energy: -9.397 tors. eta vs tors. theta energy: -15.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -202.817998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.817998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.817998 (E_RNA) where: Base-Base interactions energy: -139.415 where: short stacking energy: -55.420 Base-Backbone interact. energy: -0.209 local terms energy: -63.193312 where: bonds (distance) C4'-P energy: -12.652 bonds (distance) P-C4' energy: -11.721 flat angles C4'-P-C4' energy: -12.860 flat angles P-C4'-P energy: -9.323 tors. eta vs tors. theta energy: -16.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -198.806143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.806143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.806143 (E_RNA) where: Base-Base interactions energy: -137.591 where: short stacking energy: -60.087 Base-Backbone interact. energy: -1.054 local terms energy: -60.161546 where: bonds (distance) C4'-P energy: -9.458 bonds (distance) P-C4' energy: -12.333 flat angles C4'-P-C4' energy: -15.154 flat angles P-C4'-P energy: -8.448 tors. eta vs tors. theta energy: -14.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -180.849134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.849134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.849134 (E_RNA) where: Base-Base interactions energy: -123.605 where: short stacking energy: -51.577 Base-Backbone interact. energy: -0.081 local terms energy: -57.162759 where: bonds (distance) C4'-P energy: -5.555 bonds (distance) P-C4' energy: -13.702 flat angles C4'-P-C4' energy: -13.827 flat angles P-C4'-P energy: -7.554 tors. eta vs tors. theta energy: -16.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -183.176468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.176468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.176468 (E_RNA) where: Base-Base interactions energy: -127.991 where: short stacking energy: -50.489 Base-Backbone interact. energy: 1.450 local terms energy: -56.635342 where: bonds (distance) C4'-P energy: -12.795 bonds (distance) P-C4' energy: -9.444 flat angles C4'-P-C4' energy: -9.841 flat angles P-C4'-P energy: -9.819 tors. eta vs tors. theta energy: -14.737 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: 7, replica: 5 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -184.065735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.065735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.065735 (E_RNA) where: Base-Base interactions energy: -126.817 where: short stacking energy: -53.539 Base-Backbone interact. energy: -0.066 local terms energy: -57.182163 where: bonds (distance) C4'-P energy: -12.617 bonds (distance) P-C4' energy: -10.011 flat angles C4'-P-C4' energy: -13.222 flat angles P-C4'-P energy: -6.559 tors. eta vs tors. theta energy: -14.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -121.447639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.447639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.447639 (E_RNA) where: Base-Base interactions energy: -77.156 where: short stacking energy: -35.906 Base-Backbone interact. energy: -0.029 local terms energy: -44.263405 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -9.119 flat angles C4'-P-C4' energy: -6.195 flat angles P-C4'-P energy: -7.724 tors. eta vs tors. theta energy: -12.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -64.185720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.185720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.185720 (E_RNA) where: Base-Base interactions energy: -25.076 where: short stacking energy: -19.022 Base-Backbone interact. energy: -0.193 local terms energy: -38.916877 where: bonds (distance) C4'-P energy: -13.995 bonds (distance) P-C4' energy: -8.480 flat angles C4'-P-C4' energy: -9.894 flat angles P-C4'-P energy: -7.743 tors. eta vs tors. theta energy: 1.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -68.265616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.265616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.265616 (E_RNA) where: Base-Base interactions energy: -25.918 where: short stacking energy: -25.918 Base-Backbone interact. energy: -0.032 local terms energy: -42.315692 where: bonds (distance) C4'-P energy: -6.750 bonds (distance) P-C4' energy: -12.653 flat angles C4'-P-C4' energy: -10.717 flat angles P-C4'-P energy: -7.243 tors. eta vs tors. theta energy: -4.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -205.620188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.620188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.620188 (E_RNA) where: Base-Base interactions energy: -140.188 where: short stacking energy: -60.354 Base-Backbone interact. energy: -0.293 local terms energy: -65.140018 where: bonds (distance) C4'-P energy: -13.328 bonds (distance) P-C4' energy: -14.588 flat angles C4'-P-C4' energy: -12.932 flat angles P-C4'-P energy: -8.507 tors. eta vs tors. theta energy: -15.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -200.670131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.670131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.670131 (E_RNA) where: Base-Base interactions energy: -138.168 where: short stacking energy: -56.052 Base-Backbone interact. energy: -0.074 local terms energy: -62.428187 where: bonds (distance) C4'-P energy: -12.717 bonds (distance) P-C4' energy: -12.026 flat angles C4'-P-C4' energy: -15.203 flat angles P-C4'-P energy: -9.059 tors. eta vs tors. theta energy: -13.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -197.801616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.801616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.801616 (E_RNA) where: Base-Base interactions energy: -137.648 where: short stacking energy: -60.091 Base-Backbone interact. energy: -0.004 local terms energy: -60.149664 where: bonds (distance) C4'-P energy: -13.178 bonds (distance) P-C4' energy: -13.145 flat angles C4'-P-C4' energy: -13.947 flat angles P-C4'-P energy: -6.612 tors. eta vs tors. theta energy: -13.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -196.606563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.606563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.606563 (E_RNA) where: Base-Base interactions energy: -132.592 where: short stacking energy: -58.140 Base-Backbone interact. energy: -0.001 local terms energy: -64.013695 where: bonds (distance) C4'-P energy: -10.937 bonds (distance) P-C4' energy: -9.644 flat angles C4'-P-C4' energy: -14.153 flat angles P-C4'-P energy: -11.201 tors. eta vs tors. theta energy: -18.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -192.405246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.405246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.405246 (E_RNA) where: Base-Base interactions energy: -135.917 where: short stacking energy: -57.347 Base-Backbone interact. energy: -0.005 local terms energy: -56.482935 where: bonds (distance) C4'-P energy: -10.183 bonds (distance) P-C4' energy: -12.532 flat angles C4'-P-C4' energy: -12.295 flat angles P-C4'-P energy: -5.464 tors. eta vs tors. theta energy: -16.009 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: 5 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -193.636710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.636710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.636710 (E_RNA) where: Base-Base interactions energy: -130.169 where: short stacking energy: -55.376 Base-Backbone interact. energy: -0.419 local terms energy: -63.048907 where: bonds (distance) C4'-P energy: -11.757 bonds (distance) P-C4' energy: -12.592 flat angles C4'-P-C4' energy: -10.596 flat angles P-C4'-P energy: -9.300 tors. eta vs tors. theta energy: -18.803 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: 7, replica: 10 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -179.290295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.290295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.290295 (E_RNA) where: Base-Base interactions energy: -125.878 where: short stacking energy: -53.779 Base-Backbone interact. energy: -0.011 local terms energy: -53.400659 where: bonds (distance) C4'-P energy: -8.477 bonds (distance) P-C4' energy: -12.132 flat angles C4'-P-C4' energy: -9.937 flat angles P-C4'-P energy: -6.952 tors. eta vs tors. theta energy: -15.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -154.621018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.621018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.621018 (E_RNA) where: Base-Base interactions energy: -111.708 where: short stacking energy: -48.049 Base-Backbone interact. energy: -0.178 local terms energy: -42.735124 where: bonds (distance) C4'-P energy: -4.235 bonds (distance) P-C4' energy: -9.498 flat angles C4'-P-C4' energy: -9.978 flat angles P-C4'-P energy: -9.073 tors. eta vs tors. theta energy: -9.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -74.087608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.087608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.087608 (E_RNA) where: Base-Base interactions energy: -31.758 where: short stacking energy: -21.144 Base-Backbone interact. energy: -0.337 local terms energy: -41.992579 where: bonds (distance) C4'-P energy: -10.675 bonds (distance) P-C4' energy: -11.524 flat angles C4'-P-C4' energy: -13.642 flat angles P-C4'-P energy: -3.733 tors. eta vs tors. theta energy: -2.419 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: 8 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -62.365414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.365414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.365414 (E_RNA) where: Base-Base interactions energy: -27.926 where: short stacking energy: -27.926 Base-Backbone interact. energy: -0.276 local terms energy: -34.163364 where: bonds (distance) C4'-P energy: -9.348 bonds (distance) P-C4' energy: -8.439 flat angles C4'-P-C4' energy: -8.958 flat angles P-C4'-P energy: -7.648 tors. eta vs tors. theta energy: 0.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -202.596848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.596848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.596848 (E_RNA) where: Base-Base interactions energy: -143.500 where: short stacking energy: -59.003 Base-Backbone interact. energy: -0.115 local terms energy: -58.982017 where: bonds (distance) C4'-P energy: -8.764 bonds (distance) P-C4' energy: -14.635 flat angles C4'-P-C4' energy: -10.431 flat angles P-C4'-P energy: -9.017 tors. eta vs tors. theta energy: -16.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -200.173233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.173233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.173233 (E_RNA) where: Base-Base interactions energy: -137.317 where: short stacking energy: -57.310 Base-Backbone interact. energy: -1.597 local terms energy: -61.259353 where: bonds (distance) C4'-P energy: -3.033 bonds (distance) P-C4' energy: -14.424 flat angles C4'-P-C4' energy: -14.715 flat angles P-C4'-P energy: -11.998 tors. eta vs tors. theta energy: -17.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -203.529145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.529145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.529145 (E_RNA) where: Base-Base interactions energy: -144.344 where: short stacking energy: -63.820 Base-Backbone interact. energy: -0.097 local terms energy: -59.088610 where: bonds (distance) C4'-P energy: -12.813 bonds (distance) P-C4' energy: -11.148 flat angles C4'-P-C4' energy: -10.389 flat angles P-C4'-P energy: -6.009 tors. eta vs tors. theta energy: -18.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -192.563608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.563608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.563608 (E_RNA) where: Base-Base interactions energy: -134.140 where: short stacking energy: -58.094 Base-Backbone interact. energy: -0.004 local terms energy: -58.419625 where: bonds (distance) C4'-P energy: -10.362 bonds (distance) P-C4' energy: -9.365 flat angles C4'-P-C4' energy: -12.868 flat angles P-C4'-P energy: -12.029 tors. eta vs tors. theta energy: -13.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -185.443074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.443074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.443074 (E_RNA) where: Base-Base interactions energy: -128.633 where: short stacking energy: -56.108 Base-Backbone interact. energy: -0.001 local terms energy: -56.809771 where: bonds (distance) C4'-P energy: -7.297 bonds (distance) P-C4' energy: -15.333 flat angles C4'-P-C4' energy: -12.455 flat angles P-C4'-P energy: -5.782 tors. eta vs tors. theta energy: -15.943 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: 6, replica: 1 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -180.692517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.692517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.692517 (E_RNA) where: Base-Base interactions energy: -123.570 where: short stacking energy: -60.840 Base-Backbone interact. energy: -0.005 local terms energy: -57.118053 where: bonds (distance) C4'-P energy: -11.933 bonds (distance) P-C4' energy: -10.250 flat angles C4'-P-C4' energy: -8.356 flat angles P-C4'-P energy: -9.081 tors. eta vs tors. theta energy: -17.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -181.772146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.772146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.772146 (E_RNA) where: Base-Base interactions energy: -124.926 where: short stacking energy: -51.559 Base-Backbone interact. energy: -0.068 local terms energy: -56.777644 where: bonds (distance) C4'-P energy: -12.120 bonds (distance) P-C4' energy: -11.390 flat angles C4'-P-C4' energy: -11.372 flat angles P-C4'-P energy: -7.786 tors. eta vs tors. theta energy: -14.110 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: 10 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -167.839878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.839878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.839878 (E_RNA) where: Base-Base interactions energy: -114.052 where: short stacking energy: -45.270 Base-Backbone interact. energy: -2.115 local terms energy: -51.672825 where: bonds (distance) C4'-P energy: -12.162 bonds (distance) P-C4' energy: -10.725 flat angles C4'-P-C4' energy: -10.153 flat angles P-C4'-P energy: -4.870 tors. eta vs tors. theta energy: -13.763 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: 8 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -68.193539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.193539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.193539 (E_RNA) where: Base-Base interactions energy: -21.821 where: short stacking energy: -19.937 Base-Backbone interact. energy: -0.008 local terms energy: -46.364688 where: bonds (distance) C4'-P energy: -12.370 bonds (distance) P-C4' energy: -15.051 flat angles C4'-P-C4' energy: -5.605 flat angles P-C4'-P energy: -10.952 tors. eta vs tors. theta energy: -2.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -73.820174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.820174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.820174 (E_RNA) where: Base-Base interactions energy: -34.946 where: short stacking energy: -28.582 Base-Backbone interact. energy: -0.089 local terms energy: -38.785101 where: bonds (distance) C4'-P energy: -5.405 bonds (distance) P-C4' energy: -9.003 flat angles C4'-P-C4' energy: -8.486 flat angles P-C4'-P energy: -4.733 tors. eta vs tors. theta energy: -11.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -201.129115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.129115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.129115 (E_RNA) where: Base-Base interactions energy: -136.573 where: short stacking energy: -58.519 Base-Backbone interact. energy: -0.551 local terms energy: -64.004417 where: bonds (distance) C4'-P energy: -10.974 bonds (distance) P-C4' energy: -13.297 flat angles C4'-P-C4' energy: -13.562 flat angles P-C4'-P energy: -10.790 tors. eta vs tors. theta energy: -15.382 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: 2, replica: 7 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -186.659098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.659098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.659098 (E_RNA) where: Base-Base interactions energy: -126.481 where: short stacking energy: -48.311 Base-Backbone interact. energy: -0.143 local terms energy: -60.034932 where: bonds (distance) C4'-P energy: -12.423 bonds (distance) P-C4' energy: -13.705 flat angles C4'-P-C4' energy: -13.777 flat angles P-C4'-P energy: -8.452 tors. eta vs tors. theta energy: -11.678 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: 125 Temperature: 1.000000 Total energy: -200.978561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.978561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.978561 (E_RNA) where: Base-Base interactions energy: -140.519 where: short stacking energy: -57.628 Base-Backbone interact. energy: -0.000 local terms energy: -60.459469 where: bonds (distance) C4'-P energy: -9.280 bonds (distance) P-C4' energy: -11.196 flat angles C4'-P-C4' energy: -11.228 flat angles P-C4'-P energy: -9.562 tors. eta vs tors. theta energy: -19.193 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: 125 Temperature: 1.050000 Total energy: -188.840062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.840062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.840062 (E_RNA) where: Base-Base interactions energy: -125.689 where: short stacking energy: -49.953 Base-Backbone interact. energy: -0.508 local terms energy: -62.643778 where: bonds (distance) C4'-P energy: -14.849 bonds (distance) P-C4' energy: -10.218 flat angles C4'-P-C4' energy: -12.811 flat angles P-C4'-P energy: -10.243 tors. eta vs tors. theta energy: -14.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -185.355625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.355625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.355625 (E_RNA) where: Base-Base interactions energy: -127.483 where: short stacking energy: -47.869 Base-Backbone interact. energy: -0.097 local terms energy: -57.775564 where: bonds (distance) C4'-P energy: -10.775 bonds (distance) P-C4' energy: -9.501 flat angles C4'-P-C4' energy: -11.982 flat angles P-C4'-P energy: -10.052 tors. eta vs tors. theta energy: -15.466 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: 1 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -179.127542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.127542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.127542 (E_RNA) where: Base-Base interactions energy: -125.522 where: short stacking energy: -52.632 Base-Backbone interact. energy: -0.017 local terms energy: -53.588148 where: bonds (distance) C4'-P energy: -8.258 bonds (distance) P-C4' energy: -14.374 flat angles C4'-P-C4' energy: -11.131 flat angles P-C4'-P energy: -4.853 tors. eta vs tors. theta energy: -14.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -183.989917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.989917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.989917 (E_RNA) where: Base-Base interactions energy: -132.593 where: short stacking energy: -57.496 Base-Backbone interact. energy: -0.000 local terms energy: -51.396318 where: bonds (distance) C4'-P energy: -7.849 bonds (distance) P-C4' energy: -6.960 flat angles C4'-P-C4' energy: -15.131 flat angles P-C4'-P energy: -7.282 tors. eta vs tors. theta energy: -14.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -167.047360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.047360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.047360 (E_RNA) where: Base-Base interactions energy: -110.409 where: short stacking energy: -44.320 Base-Backbone interact. energy: -0.132 local terms energy: -56.505757 where: bonds (distance) C4'-P energy: -12.485 bonds (distance) P-C4' energy: -13.180 flat angles C4'-P-C4' energy: -10.971 flat angles P-C4'-P energy: -7.601 tors. eta vs tors. theta energy: -12.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -68.939455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.939455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.939455 (E_RNA) where: Base-Base interactions energy: -24.760 where: short stacking energy: -22.586 Base-Backbone interact. energy: -0.099 local terms energy: -44.080387 where: bonds (distance) C4'-P energy: -10.257 bonds (distance) P-C4' energy: -12.647 flat angles C4'-P-C4' energy: -10.315 flat angles P-C4'-P energy: -4.899 tors. eta vs tors. theta energy: -5.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -81.902864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.902864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.902864 (E_RNA) where: Base-Base interactions energy: -33.342 where: short stacking energy: -25.427 Base-Backbone interact. energy: -0.111 local terms energy: -48.450357 where: bonds (distance) C4'-P energy: -14.145 bonds (distance) P-C4' energy: -10.160 flat angles C4'-P-C4' energy: -12.654 flat angles P-C4'-P energy: -7.178 tors. eta vs tors. theta energy: -4.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -203.606694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.606694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.606694 (E_RNA) where: Base-Base interactions energy: -140.892 where: short stacking energy: -62.718 Base-Backbone interact. energy: -0.002 local terms energy: -62.712918 where: bonds (distance) C4'-P energy: -9.368 bonds (distance) P-C4' energy: -12.151 flat angles C4'-P-C4' energy: -14.489 flat angles P-C4'-P energy: -11.617 tors. eta vs tors. theta energy: -15.088 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: 126 Temperature: 0.950000 Total energy: -194.705008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.705008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.705008 (E_RNA) where: Base-Base interactions energy: -129.979 where: short stacking energy: -53.371 Base-Backbone interact. energy: 0.084 local terms energy: -64.809883 where: bonds (distance) C4'-P energy: -12.935 bonds (distance) P-C4' energy: -10.929 flat angles C4'-P-C4' energy: -13.904 flat angles P-C4'-P energy: -10.310 tors. eta vs tors. theta energy: -16.732 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: 5 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -200.706846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.706846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.706846 (E_RNA) where: Base-Base interactions energy: -134.031 where: short stacking energy: -56.736 Base-Backbone interact. energy: -0.394 local terms energy: -66.281769 where: bonds (distance) C4'-P energy: -14.046 bonds (distance) P-C4' energy: -12.401 flat angles C4'-P-C4' energy: -13.488 flat angles P-C4'-P energy: -10.919 tors. eta vs tors. theta energy: -15.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -197.371141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.371141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.371141 (E_RNA) where: Base-Base interactions energy: -139.075 where: short stacking energy: -56.660 Base-Backbone interact. energy: -0.030 local terms energy: -58.266067 where: bonds (distance) C4'-P energy: -11.073 bonds (distance) P-C4' energy: -12.898 flat angles C4'-P-C4' energy: -12.778 flat angles P-C4'-P energy: -6.487 tors. eta vs tors. theta energy: -15.030 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: 5, replica: 6 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -189.163626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.163626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.163626 (E_RNA) where: Base-Base interactions energy: -134.198 where: short stacking energy: -54.437 Base-Backbone interact. energy: -0.238 local terms energy: -54.727063 where: bonds (distance) C4'-P energy: -9.637 bonds (distance) P-C4' energy: -8.546 flat angles C4'-P-C4' energy: -12.371 flat angles P-C4'-P energy: -8.197 tors. eta vs tors. theta energy: -15.976 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: 1 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -174.549455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.549455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.549455 (E_RNA) where: Base-Base interactions energy: -123.385 where: short stacking energy: -53.700 Base-Backbone interact. energy: -0.041 local terms energy: -51.123627 where: bonds (distance) C4'-P energy: -12.062 bonds (distance) P-C4' energy: -6.502 flat angles C4'-P-C4' energy: -13.594 flat angles P-C4'-P energy: -7.112 tors. eta vs tors. theta energy: -11.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -170.860029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.860029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.860029 (E_RNA) where: Base-Base interactions energy: -115.309 where: short stacking energy: -52.291 Base-Backbone interact. energy: -0.084 local terms energy: -55.466832 where: bonds (distance) C4'-P energy: -10.804 bonds (distance) P-C4' energy: -12.012 flat angles C4'-P-C4' energy: -11.511 flat angles P-C4'-P energy: -9.671 tors. eta vs tors. theta energy: -11.468 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: 4 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -166.107987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.107987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.107987 (E_RNA) where: Base-Base interactions energy: -114.431 where: short stacking energy: -41.821 Base-Backbone interact. energy: -0.079 local terms energy: -51.598045 where: bonds (distance) C4'-P energy: -14.633 bonds (distance) P-C4' energy: -11.069 flat angles C4'-P-C4' energy: -3.893 flat angles P-C4'-P energy: -7.616 tors. eta vs tors. theta energy: -14.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -83.592882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.592882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.592882 (E_RNA) where: Base-Base interactions energy: -35.006 where: short stacking energy: -31.720 Base-Backbone interact. energy: -0.050 local terms energy: -48.537601 where: bonds (distance) C4'-P energy: -12.369 bonds (distance) P-C4' energy: -14.156 flat angles C4'-P-C4' energy: -7.498 flat angles P-C4'-P energy: -8.015 tors. eta vs tors. theta energy: -6.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -64.123099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.123099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.123099 (E_RNA) where: Base-Base interactions energy: -15.837 where: short stacking energy: -15.837 Base-Backbone interact. energy: -0.408 local terms energy: -47.877985 where: bonds (distance) C4'-P energy: -12.600 bonds (distance) P-C4' energy: -13.234 flat angles C4'-P-C4' energy: -10.105 flat angles P-C4'-P energy: -9.775 tors. eta vs tors. theta energy: -2.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -199.081959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.081959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.081959 (E_RNA) where: Base-Base interactions energy: -135.888 where: short stacking energy: -59.927 Base-Backbone interact. energy: -0.123 local terms energy: -63.071379 where: bonds (distance) C4'-P energy: -11.909 bonds (distance) P-C4' energy: -13.000 flat angles C4'-P-C4' energy: -11.999 flat angles P-C4'-P energy: -9.611 tors. eta vs tors. theta energy: -16.552 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: 7 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -197.041060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.041060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.041060 (E_RNA) where: Base-Base interactions energy: -128.201 where: short stacking energy: -58.969 Base-Backbone interact. energy: -0.076 local terms energy: -68.763154 where: bonds (distance) C4'-P energy: -14.145 bonds (distance) P-C4' energy: -11.736 flat angles C4'-P-C4' energy: -13.588 flat angles P-C4'-P energy: -11.607 tors. eta vs tors. theta energy: -17.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -197.502672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.502672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.502672 (E_RNA) where: Base-Base interactions energy: -136.399 where: short stacking energy: -56.136 Base-Backbone interact. energy: -0.003 local terms energy: -61.100651 where: bonds (distance) C4'-P energy: -12.108 bonds (distance) P-C4' energy: -13.669 flat angles C4'-P-C4' energy: -11.541 flat angles P-C4'-P energy: -6.622 tors. eta vs tors. theta energy: -17.161 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: 127 Temperature: 1.050000 Total energy: -193.598150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.598150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.598150 (E_RNA) where: Base-Base interactions energy: -130.652 where: short stacking energy: -51.281 Base-Backbone interact. energy: -0.163 local terms energy: -62.783535 where: bonds (distance) C4'-P energy: -11.835 bonds (distance) P-C4' energy: -10.190 flat angles C4'-P-C4' energy: -14.746 flat angles P-C4'-P energy: -10.653 tors. eta vs tors. theta energy: -15.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -178.449333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.449333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.449333 (E_RNA) where: Base-Base interactions energy: -119.906 where: short stacking energy: -53.341 Base-Backbone interact. energy: -0.174 local terms energy: -58.369743 where: bonds (distance) C4'-P energy: -13.308 bonds (distance) P-C4' energy: -13.321 flat angles C4'-P-C4' energy: -10.930 flat angles P-C4'-P energy: -9.159 tors. eta vs tors. theta energy: -11.651 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: 10 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -176.722797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.722797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.722797 (E_RNA) where: Base-Base interactions energy: -123.844 where: short stacking energy: -43.742 Base-Backbone interact. energy: 0.944 local terms energy: -53.822033 where: bonds (distance) C4'-P energy: -11.099 bonds (distance) P-C4' energy: -12.340 flat angles C4'-P-C4' energy: -9.505 flat angles P-C4'-P energy: -11.503 tors. eta vs tors. theta energy: -9.375 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: 1 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -182.259636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.259636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.259636 (E_RNA) where: Base-Base interactions energy: -123.576 where: short stacking energy: -60.751 Base-Backbone interact. energy: -0.241 local terms energy: -58.443509 where: bonds (distance) C4'-P energy: -8.657 bonds (distance) P-C4' energy: -13.329 flat angles C4'-P-C4' energy: -12.378 flat angles P-C4'-P energy: -7.987 tors. eta vs tors. theta energy: -16.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -181.637810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.637810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.637810 (E_RNA) where: Base-Base interactions energy: -122.053 where: short stacking energy: -54.076 Base-Backbone interact. energy: -0.018 local terms energy: -59.566941 where: bonds (distance) C4'-P energy: -8.882 bonds (distance) P-C4' energy: -13.184 flat angles C4'-P-C4' energy: -13.646 flat angles P-C4'-P energy: -9.500 tors. eta vs tors. theta energy: -14.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -69.500937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.500937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.500937 (E_RNA) where: Base-Base interactions energy: -28.303 where: short stacking energy: -23.353 Base-Backbone interact. energy: -0.133 local terms energy: -41.064796 where: bonds (distance) C4'-P energy: -11.889 bonds (distance) P-C4' energy: -8.300 flat angles C4'-P-C4' energy: -10.489 flat angles P-C4'-P energy: -4.523 tors. eta vs tors. theta energy: -5.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -59.438884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.438884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.438884 (E_RNA) where: Base-Base interactions energy: -14.928 where: short stacking energy: -14.928 Base-Backbone interact. energy: -0.961 local terms energy: -43.550371 where: bonds (distance) C4'-P energy: -10.858 bonds (distance) P-C4' energy: -11.089 flat angles C4'-P-C4' energy: -8.242 flat angles P-C4'-P energy: -10.269 tors. eta vs tors. theta energy: -3.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -199.074438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.074438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.074438 (E_RNA) where: Base-Base interactions energy: -140.594 where: short stacking energy: -55.055 Base-Backbone interact. energy: -0.240 local terms energy: -58.239880 where: bonds (distance) C4'-P energy: -12.739 bonds (distance) P-C4' energy: -12.036 flat angles C4'-P-C4' energy: -8.786 flat angles P-C4'-P energy: -10.626 tors. eta vs tors. theta energy: -14.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -196.888130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.888130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.888130 (E_RNA) where: Base-Base interactions energy: -133.776 where: short stacking energy: -58.105 Base-Backbone interact. energy: -0.158 local terms energy: -62.954202 where: bonds (distance) C4'-P energy: -13.507 bonds (distance) P-C4' energy: -11.275 flat angles C4'-P-C4' energy: -11.338 flat angles P-C4'-P energy: -10.103 tors. eta vs tors. theta energy: -16.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -197.179239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.179239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.179239 (E_RNA) where: Base-Base interactions energy: -135.896 where: short stacking energy: -58.033 Base-Backbone interact. energy: -0.003 local terms energy: -61.279756 where: bonds (distance) C4'-P energy: -10.465 bonds (distance) P-C4' energy: -13.457 flat angles C4'-P-C4' energy: -12.354 flat angles P-C4'-P energy: -10.030 tors. eta vs tors. theta energy: -14.974 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: 5 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -190.168448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.168448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.168448 (E_RNA) where: Base-Base interactions energy: -134.763 where: short stacking energy: -56.435 Base-Backbone interact. energy: -0.001 local terms energy: -55.403539 where: bonds (distance) C4'-P energy: -11.819 bonds (distance) P-C4' energy: -10.393 flat angles C4'-P-C4' energy: -9.813 flat angles P-C4'-P energy: -8.533 tors. eta vs tors. theta energy: -14.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -183.780096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.780096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.780096 (E_RNA) where: Base-Base interactions energy: -130.409 where: short stacking energy: -52.573 Base-Backbone interact. energy: -0.000 local terms energy: -53.370520 where: bonds (distance) C4'-P energy: -8.738 bonds (distance) P-C4' energy: -11.328 flat angles C4'-P-C4' energy: -9.852 flat angles P-C4'-P energy: -7.009 tors. eta vs tors. theta energy: -16.444 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: 128 Temperature: 1.150000 Total energy: -184.138773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.138773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.138773 (E_RNA) where: Base-Base interactions energy: -120.074 where: short stacking energy: -51.710 Base-Backbone interact. energy: -0.023 local terms energy: -64.041575 where: bonds (distance) C4'-P energy: -12.370 bonds (distance) P-C4' energy: -15.305 flat angles C4'-P-C4' energy: -11.725 flat angles P-C4'-P energy: -10.618 tors. eta vs tors. theta energy: -14.023 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: 4 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -176.371615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.371615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.371615 (E_RNA) where: Base-Base interactions energy: -121.777 where: short stacking energy: -54.728 Base-Backbone interact. energy: -0.007 local terms energy: -54.587041 where: bonds (distance) C4'-P energy: -4.247 bonds (distance) P-C4' energy: -13.328 flat angles C4'-P-C4' energy: -13.406 flat angles P-C4'-P energy: -8.142 tors. eta vs tors. theta energy: -15.465 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: 1 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -169.584418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.584418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.584418 (E_RNA) where: Base-Base interactions energy: -113.651 where: short stacking energy: -49.987 Base-Backbone interact. energy: -0.096 local terms energy: -55.836816 where: bonds (distance) C4'-P energy: -8.095 bonds (distance) P-C4' energy: -9.787 flat angles C4'-P-C4' energy: -15.221 flat angles P-C4'-P energy: -8.820 tors. eta vs tors. theta energy: -13.913 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: 8 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -84.661810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.661810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.661810 (E_RNA) where: Base-Base interactions energy: -44.689 where: short stacking energy: -23.760 Base-Backbone interact. energy: -0.006 local terms energy: -39.967618 where: bonds (distance) C4'-P energy: -10.460 bonds (distance) P-C4' energy: -12.170 flat angles C4'-P-C4' energy: -6.024 flat angles P-C4'-P energy: -6.738 tors. eta vs tors. theta energy: -4.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -67.271760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.271760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.271760 (E_RNA) where: Base-Base interactions energy: -21.424 where: short stacking energy: -24.187 Base-Backbone interact. energy: -0.098 local terms energy: -45.749755 where: bonds (distance) C4'-P energy: -12.246 bonds (distance) P-C4' energy: -8.598 flat angles C4'-P-C4' energy: -11.025 flat angles P-C4'-P energy: -10.165 tors. eta vs tors. theta energy: -3.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -205.496788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.496788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.496788 (E_RNA) where: Base-Base interactions energy: -142.581 where: short stacking energy: -58.533 Base-Backbone interact. energy: -0.001 local terms energy: -62.914542 where: bonds (distance) C4'-P energy: -14.145 bonds (distance) P-C4' energy: -12.542 flat angles C4'-P-C4' energy: -11.646 flat angles P-C4'-P energy: -8.132 tors. eta vs tors. theta energy: -16.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -204.802385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.802385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.802385 (E_RNA) where: Base-Base interactions energy: -138.423 where: short stacking energy: -61.164 Base-Backbone interact. energy: -0.017 local terms energy: -66.362893 where: bonds (distance) C4'-P energy: -13.185 bonds (distance) P-C4' energy: -12.751 flat angles C4'-P-C4' energy: -14.138 flat angles P-C4'-P energy: -11.826 tors. eta vs tors. theta energy: -14.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -198.020318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.020318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.020318 (E_RNA) where: Base-Base interactions energy: -144.854 where: short stacking energy: -62.961 Base-Backbone interact. energy: -0.000 local terms energy: -53.165702 where: bonds (distance) C4'-P energy: -9.207 bonds (distance) P-C4' energy: -9.954 flat angles C4'-P-C4' energy: -11.540 flat angles P-C4'-P energy: -7.118 tors. eta vs tors. theta energy: -15.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -187.650856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.650856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.650856 (E_RNA) where: Base-Base interactions energy: -132.364 where: short stacking energy: -54.841 Base-Backbone interact. energy: -0.070 local terms energy: -55.217346 where: bonds (distance) C4'-P energy: -7.604 bonds (distance) P-C4' energy: -12.570 flat angles C4'-P-C4' energy: -11.435 flat angles P-C4'-P energy: -8.649 tors. eta vs tors. theta energy: -14.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -204.910867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.910867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.910867 (E_RNA) where: Base-Base interactions energy: -138.725 where: short stacking energy: -60.775 Base-Backbone interact. energy: -0.001 local terms energy: -66.184708 where: bonds (distance) C4'-P energy: -12.920 bonds (distance) P-C4' energy: -11.095 flat angles C4'-P-C4' energy: -13.252 flat angles P-C4'-P energy: -11.971 tors. eta vs tors. theta energy: -16.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -196.684694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.684694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.684694 (E_RNA) where: Base-Base interactions energy: -131.227 where: short stacking energy: -61.754 Base-Backbone interact. energy: -0.069 local terms energy: -65.388411 where: bonds (distance) C4'-P energy: -12.519 bonds (distance) P-C4' energy: -13.508 flat angles C4'-P-C4' energy: -14.407 flat angles P-C4'-P energy: -7.423 tors. eta vs tors. theta energy: -17.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -189.068768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.068768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.068768 (E_RNA) where: Base-Base interactions energy: -131.117 where: short stacking energy: -60.299 Base-Backbone interact. energy: -0.008 local terms energy: -57.944191 where: bonds (distance) C4'-P energy: -12.137 bonds (distance) P-C4' energy: -9.594 flat angles C4'-P-C4' energy: -12.269 flat angles P-C4'-P energy: -7.701 tors. eta vs tors. theta energy: -16.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -166.900686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.900686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.900686 (E_RNA) where: Base-Base interactions energy: -111.926 where: short stacking energy: -46.177 Base-Backbone interact. energy: -0.151 local terms energy: -54.823934 where: bonds (distance) C4'-P energy: -11.027 bonds (distance) P-C4' energy: -14.382 flat angles C4'-P-C4' energy: -10.697 flat angles P-C4'-P energy: -6.737 tors. eta vs tors. theta energy: -11.980 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: 8 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -63.424671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.424671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.424671 (E_RNA) where: Base-Base interactions energy: -21.807 where: short stacking energy: -20.264 Base-Backbone interact. energy: -0.273 local terms energy: -41.344769 where: bonds (distance) C4'-P energy: -6.249 bonds (distance) P-C4' energy: -15.795 flat angles C4'-P-C4' energy: -6.266 flat angles P-C4'-P energy: -10.808 tors. eta vs tors. theta energy: -2.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -62.036756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.036756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.036756 (E_RNA) where: Base-Base interactions energy: -21.075 where: short stacking energy: -17.733 Base-Backbone interact. energy: -0.213 local terms energy: -40.748415 where: bonds (distance) C4'-P energy: -10.319 bonds (distance) P-C4' energy: -11.125 flat angles C4'-P-C4' energy: -8.725 flat angles P-C4'-P energy: -5.153 tors. eta vs tors. theta energy: -5.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -205.398011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.398011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.398011 (E_RNA) where: Base-Base interactions energy: -142.009 where: short stacking energy: -60.375 Base-Backbone interact. energy: 0.208 local terms energy: -63.596993 where: bonds (distance) C4'-P energy: -10.502 bonds (distance) P-C4' energy: -13.906 flat angles C4'-P-C4' energy: -10.789 flat angles P-C4'-P energy: -11.953 tors. eta vs tors. theta energy: -16.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -198.500169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.500169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.500169 (E_RNA) where: Base-Base interactions energy: -133.456 where: short stacking energy: -58.697 Base-Backbone interact. energy: -0.002 local terms energy: -65.042879 where: bonds (distance) C4'-P energy: -12.356 bonds (distance) P-C4' energy: -11.904 flat angles C4'-P-C4' energy: -13.001 flat angles P-C4'-P energy: -9.739 tors. eta vs tors. theta energy: -18.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -195.410823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.410823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.410823 (E_RNA) where: Base-Base interactions energy: -132.150 where: short stacking energy: -57.503 Base-Backbone interact. energy: -0.009 local terms energy: -63.251491 where: bonds (distance) C4'-P energy: -13.772 bonds (distance) P-C4' energy: -14.163 flat angles C4'-P-C4' energy: -12.740 flat angles P-C4'-P energy: -6.059 tors. eta vs tors. theta energy: -16.519 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: 2 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -198.685812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.685812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.685812 (E_RNA) where: Base-Base interactions energy: -134.764 where: short stacking energy: -54.556 Base-Backbone interact. energy: -0.011 local terms energy: -63.910857 where: bonds (distance) C4'-P energy: -13.060 bonds (distance) P-C4' energy: -12.065 flat angles C4'-P-C4' energy: -12.830 flat angles P-C4'-P energy: -10.184 tors. eta vs tors. theta energy: -15.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -193.937720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.937720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.937720 (E_RNA) where: Base-Base interactions energy: -132.078 where: short stacking energy: -55.063 Base-Backbone interact. energy: 0.034 local terms energy: -61.893501 where: bonds (distance) C4'-P energy: -11.802 bonds (distance) P-C4' energy: -14.196 flat angles C4'-P-C4' energy: -13.300 flat angles P-C4'-P energy: -6.317 tors. eta vs tors. theta energy: -16.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -178.204926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.204926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.204926 (E_RNA) where: Base-Base interactions energy: -121.928 where: short stacking energy: -52.805 Base-Backbone interact. energy: -0.252 local terms energy: -56.024620 where: bonds (distance) C4'-P energy: -11.598 bonds (distance) P-C4' energy: -10.870 flat angles C4'-P-C4' energy: -11.308 flat angles P-C4'-P energy: -6.895 tors. eta vs tors. theta energy: -15.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -172.539196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.539196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.539196 (E_RNA) where: Base-Base interactions energy: -116.792 where: short stacking energy: -50.725 Base-Backbone interact. energy: -0.001 local terms energy: -55.746854 where: bonds (distance) C4'-P energy: -10.842 bonds (distance) P-C4' energy: -13.300 flat angles C4'-P-C4' energy: -11.752 flat angles P-C4'-P energy: -8.301 tors. eta vs tors. theta energy: -11.552 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: 6 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -170.437552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.437552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.437552 (E_RNA) where: Base-Base interactions energy: -121.333 where: short stacking energy: -50.279 Base-Backbone interact. energy: -0.217 local terms energy: -48.887878 where: bonds (distance) C4'-P energy: -12.262 bonds (distance) P-C4' energy: -11.355 flat angles C4'-P-C4' energy: -8.526 flat angles P-C4'-P energy: -5.180 tors. eta vs tors. theta energy: -11.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -66.759507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.759507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.759507 (E_RNA) where: Base-Base interactions energy: -27.174 where: short stacking energy: -27.174 Base-Backbone interact. energy: -0.109 local terms energy: -39.476602 where: bonds (distance) C4'-P energy: -12.370 bonds (distance) P-C4' energy: -11.345 flat angles C4'-P-C4' energy: -8.863 flat angles P-C4'-P energy: -3.795 tors. eta vs tors. theta energy: -3.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -65.968149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.968149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.968149 (E_RNA) where: Base-Base interactions energy: -21.118 where: short stacking energy: -13.491 Base-Backbone interact. energy: 0.386 local terms energy: -45.235630 where: bonds (distance) C4'-P energy: -13.674 bonds (distance) P-C4' energy: -13.141 flat angles C4'-P-C4' energy: -7.232 flat angles P-C4'-P energy: -9.003 tors. eta vs tors. theta energy: -2.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -206.222524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.222524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.222524 (E_RNA) where: Base-Base interactions energy: -142.376 where: short stacking energy: -60.501 Base-Backbone interact. energy: -0.001 local terms energy: -63.845853 where: bonds (distance) C4'-P energy: -11.752 bonds (distance) P-C4' energy: -11.036 flat angles C4'-P-C4' energy: -15.579 flat angles P-C4'-P energy: -8.202 tors. eta vs tors. theta energy: -17.276 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: 10 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -201.659920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.659920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.659920 (E_RNA) where: Base-Base interactions energy: -139.163 where: short stacking energy: -59.863 Base-Backbone interact. energy: -0.001 local terms energy: -62.496258 where: bonds (distance) C4'-P energy: -12.026 bonds (distance) P-C4' energy: -11.491 flat angles C4'-P-C4' energy: -14.056 flat angles P-C4'-P energy: -8.689 tors. eta vs tors. theta energy: -16.235 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: 3, replica: 7 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -197.274920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.274920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.274920 (E_RNA) where: Base-Base interactions energy: -135.383 where: short stacking energy: -56.312 Base-Backbone interact. energy: -0.004 local terms energy: -61.887744 where: bonds (distance) C4'-P energy: -11.417 bonds (distance) P-C4' energy: -11.625 flat angles C4'-P-C4' energy: -14.875 flat angles P-C4'-P energy: -6.332 tors. eta vs tors. theta energy: -17.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -192.228190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.228190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.228190 (E_RNA) where: Base-Base interactions energy: -136.247 where: short stacking energy: -59.459 Base-Backbone interact. energy: -0.129 local terms energy: -55.851548 where: bonds (distance) C4'-P energy: -9.385 bonds (distance) P-C4' energy: -10.696 flat angles C4'-P-C4' energy: -13.089 flat angles P-C4'-P energy: -7.294 tors. eta vs tors. theta energy: -15.387 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: 4 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -194.768541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.768541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.768541 (E_RNA) where: Base-Base interactions energy: -138.177 where: short stacking energy: -61.810 Base-Backbone interact. energy: -0.001 local terms energy: -56.591185 where: bonds (distance) C4'-P energy: -9.553 bonds (distance) P-C4' energy: -10.343 flat angles C4'-P-C4' energy: -10.904 flat angles P-C4'-P energy: -8.047 tors. eta vs tors. theta energy: -17.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -184.361773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.361773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.361773 (E_RNA) where: Base-Base interactions energy: -127.651 where: short stacking energy: -55.349 Base-Backbone interact. energy: -0.220 local terms energy: -56.491004 where: bonds (distance) C4'-P energy: -10.195 bonds (distance) P-C4' energy: -11.390 flat angles C4'-P-C4' energy: -11.828 flat angles P-C4'-P energy: -11.200 tors. eta vs tors. theta energy: -11.879 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: 5 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -174.306237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.306237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.306237 (E_RNA) where: Base-Base interactions energy: -120.788 where: short stacking energy: -48.855 Base-Backbone interact. energy: -0.004 local terms energy: -53.513842 where: bonds (distance) C4'-P energy: -12.447 bonds (distance) P-C4' energy: -9.379 flat angles C4'-P-C4' energy: -8.898 flat angles P-C4'-P energy: -5.743 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: 8, replica: 6 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -147.960815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.960815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.960815 (E_RNA) where: Base-Base interactions energy: -100.104 where: short stacking energy: -39.914 Base-Backbone interact. energy: -0.099 local terms energy: -47.757601 where: bonds (distance) C4'-P energy: -12.197 bonds (distance) P-C4' energy: -11.782 flat angles C4'-P-C4' energy: -8.846 flat angles P-C4'-P energy: -4.707 tors. eta vs tors. theta energy: -10.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -83.234937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.234937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.234937 (E_RNA) where: Base-Base interactions energy: -35.948 where: short stacking energy: -35.948 Base-Backbone interact. energy: -0.018 local terms energy: -47.268458 where: bonds (distance) C4'-P energy: -10.274 bonds (distance) P-C4' energy: -13.349 flat angles C4'-P-C4' energy: -9.148 flat angles P-C4'-P energy: -6.949 tors. eta vs tors. theta energy: -7.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -67.664765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.664765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.664765 (E_RNA) where: Base-Base interactions energy: -27.791 where: short stacking energy: -27.414 Base-Backbone interact. energy: -0.011 local terms energy: -39.863039 where: bonds (distance) C4'-P energy: -10.178 bonds (distance) P-C4' energy: -10.479 flat angles C4'-P-C4' energy: -11.345 flat angles P-C4'-P energy: -3.017 tors. eta vs tors. theta energy: -4.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -196.740914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.740914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.740914 (E_RNA) where: Base-Base interactions energy: -138.197 where: short stacking energy: -60.170 Base-Backbone interact. energy: -0.001 local terms energy: -58.542444 where: bonds (distance) C4'-P energy: -8.854 bonds (distance) P-C4' energy: -13.959 flat angles C4'-P-C4' energy: -12.797 flat angles P-C4'-P energy: -7.116 tors. eta vs tors. theta energy: -15.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -201.094141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.094141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.094141 (E_RNA) where: Base-Base interactions energy: -135.275 where: short stacking energy: -58.253 Base-Backbone interact. energy: -0.001 local terms energy: -65.818812 where: bonds (distance) C4'-P energy: -14.314 bonds (distance) P-C4' energy: -11.247 flat angles C4'-P-C4' energy: -13.324 flat angles P-C4'-P energy: -11.350 tors. eta vs tors. theta energy: -15.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -199.459512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.459512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.459512 (E_RNA) where: Base-Base interactions energy: -138.089 where: short stacking energy: -62.847 Base-Backbone interact. energy: -0.001 local terms energy: -61.369500 where: bonds (distance) C4'-P energy: -9.484 bonds (distance) P-C4' energy: -13.014 flat angles C4'-P-C4' energy: -14.186 flat angles P-C4'-P energy: -9.414 tors. eta vs tors. theta energy: -15.272 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: 7 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -190.029941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.029941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.029941 (E_RNA) where: Base-Base interactions energy: -133.394 where: short stacking energy: -55.635 Base-Backbone interact. energy: -0.041 local terms energy: -56.594835 where: bonds (distance) C4'-P energy: -11.462 bonds (distance) P-C4' energy: -10.488 flat angles C4'-P-C4' energy: -10.714 flat angles P-C4'-P energy: -8.225 tors. eta vs tors. theta energy: -15.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -183.895976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.895976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.895976 (E_RNA) where: Base-Base interactions energy: -122.260 where: short stacking energy: -44.669 Base-Backbone interact. energy: -0.085 local terms energy: -61.550351 where: bonds (distance) C4'-P energy: -13.434 bonds (distance) P-C4' energy: -13.959 flat angles C4'-P-C4' energy: -11.085 flat angles P-C4'-P energy: -8.182 tors. eta vs tors. theta energy: -14.890 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: 4 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -185.170440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.170440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.170440 (E_RNA) where: Base-Base interactions energy: -128.581 where: short stacking energy: -50.665 Base-Backbone interact. energy: -0.090 local terms energy: -56.499027 where: bonds (distance) C4'-P energy: -10.803 bonds (distance) P-C4' energy: -11.000 flat angles C4'-P-C4' energy: -11.149 flat angles P-C4'-P energy: -7.744 tors. eta vs tors. theta energy: -15.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -164.391380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.391380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.391380 (E_RNA) where: Base-Base interactions energy: -113.572 where: short stacking energy: -53.190 Base-Backbone interact. energy: -0.016 local terms energy: -50.802647 where: bonds (distance) C4'-P energy: -10.159 bonds (distance) P-C4' energy: -9.912 flat angles C4'-P-C4' energy: -10.437 flat angles P-C4'-P energy: -9.037 tors. eta vs tors. theta energy: -11.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -175.865910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.865910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.865910 (E_RNA) where: Base-Base interactions energy: -120.425 where: short stacking energy: -54.697 Base-Backbone interact. energy: -0.008 local terms energy: -55.433037 where: bonds (distance) C4'-P energy: -11.843 bonds (distance) P-C4' energy: -11.828 flat angles C4'-P-C4' energy: -9.725 flat angles P-C4'-P energy: -6.832 tors. eta vs tors. theta energy: -15.205 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: 9, replica: 8 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -71.838966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.838966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.838966 (E_RNA) where: Base-Base interactions energy: -34.990 where: short stacking energy: -32.246 Base-Backbone interact. energy: -0.052 local terms energy: -36.796602 where: bonds (distance) C4'-P energy: -11.197 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -6.604 flat angles P-C4'-P energy: -4.959 tors. eta vs tors. theta energy: -5.206 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: 3 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -63.222659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.222659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.222659 (E_RNA) where: Base-Base interactions energy: -23.167 where: short stacking energy: -23.167 Base-Backbone interact. energy: -0.022 local terms energy: -40.033660 where: bonds (distance) C4'-P energy: -7.236 bonds (distance) P-C4' energy: -13.441 flat angles C4'-P-C4' energy: -7.623 flat angles P-C4'-P energy: -8.477 tors. eta vs tors. theta energy: -3.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -202.460849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.460849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.460849 (E_RNA) where: Base-Base interactions energy: -138.249 where: short stacking energy: -59.501 Base-Backbone interact. energy: -0.003 local terms energy: -64.208774 where: bonds (distance) C4'-P energy: -12.248 bonds (distance) P-C4' energy: -13.504 flat angles C4'-P-C4' energy: -13.446 flat angles P-C4'-P energy: -9.688 tors. eta vs tors. theta energy: -15.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -201.974679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.974679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.974679 (E_RNA) where: Base-Base interactions energy: -137.190 where: short stacking energy: -60.632 Base-Backbone interact. energy: -0.001 local terms energy: -64.784390 where: bonds (distance) C4'-P energy: -10.300 bonds (distance) P-C4' energy: -13.321 flat angles C4'-P-C4' energy: -13.018 flat angles P-C4'-P energy: -11.664 tors. eta vs tors. theta energy: -16.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -190.420098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.420098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.420098 (E_RNA) where: Base-Base interactions energy: -135.320 where: short stacking energy: -56.539 Base-Backbone interact. energy: -0.236 local terms energy: -54.863847 where: bonds (distance) C4'-P energy: -11.435 bonds (distance) P-C4' energy: -10.617 flat angles C4'-P-C4' energy: -11.353 flat angles P-C4'-P energy: -7.073 tors. eta vs tors. theta energy: -14.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -181.585728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.585728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.585728 (E_RNA) where: Base-Base interactions energy: -128.737 where: short stacking energy: -46.526 Base-Backbone interact. energy: -0.010 local terms energy: -52.839250 where: bonds (distance) C4'-P energy: -12.141 bonds (distance) P-C4' energy: -9.330 flat angles C4'-P-C4' energy: -13.856 flat angles P-C4'-P energy: -9.202 tors. eta vs tors. theta energy: -8.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -182.333127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.333127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.333127 (E_RNA) where: Base-Base interactions energy: -132.334 where: short stacking energy: -50.776 Base-Backbone interact. energy: -0.005 local terms energy: -49.994315 where: bonds (distance) C4'-P energy: -11.206 bonds (distance) P-C4' energy: -7.826 flat angles C4'-P-C4' energy: -10.961 flat angles P-C4'-P energy: -7.666 tors. eta vs tors. theta energy: -12.335 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: 6, replica: 6 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -167.718717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.718717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.718717 (E_RNA) where: Base-Base interactions energy: -112.848 where: short stacking energy: -49.618 Base-Backbone interact. energy: -0.076 local terms energy: -54.794681 where: bonds (distance) C4'-P energy: -13.681 bonds (distance) P-C4' energy: -14.159 flat angles C4'-P-C4' energy: -9.008 flat angles P-C4'-P energy: -7.481 tors. eta vs tors. theta energy: -10.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -173.657451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.657451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.657451 (E_RNA) where: Base-Base interactions energy: -124.687 where: short stacking energy: -45.534 Base-Backbone interact. energy: -0.100 local terms energy: -48.870846 where: bonds (distance) C4'-P energy: -6.106 bonds (distance) P-C4' energy: -13.480 flat angles C4'-P-C4' energy: -13.361 flat angles P-C4'-P energy: -5.917 tors. eta vs tors. theta energy: -10.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -179.173107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.173107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.173107 (E_RNA) where: Base-Base interactions energy: -121.343 where: short stacking energy: -53.544 Base-Backbone interact. energy: -0.087 local terms energy: -57.742621 where: bonds (distance) C4'-P energy: -9.442 bonds (distance) P-C4' energy: -11.076 flat angles C4'-P-C4' energy: -13.133 flat angles P-C4'-P energy: -8.340 tors. eta vs tors. theta energy: -15.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -62.064221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.064221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.064221 (E_RNA) where: Base-Base interactions energy: -20.726 where: short stacking energy: -20.726 Base-Backbone interact. energy: -0.409 local terms energy: -40.929084 where: bonds (distance) C4'-P energy: -9.831 bonds (distance) P-C4' energy: -12.603 flat angles C4'-P-C4' energy: -12.948 flat angles P-C4'-P energy: -6.077 tors. eta vs tors. theta energy: 0.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -63.561439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.561439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.561439 (E_RNA) where: Base-Base interactions energy: -24.550 where: short stacking energy: -24.550 Base-Backbone interact. energy: -0.002 local terms energy: -39.009307 where: bonds (distance) C4'-P energy: -9.847 bonds (distance) P-C4' energy: -13.334 flat angles C4'-P-C4' energy: -7.195 flat angles P-C4'-P energy: -3.368 tors. eta vs tors. theta energy: -5.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -202.653023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.653023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.653023 (E_RNA) where: Base-Base interactions energy: -137.272 where: short stacking energy: -58.994 Base-Backbone interact. energy: -1.033 local terms energy: -64.347988 where: bonds (distance) C4'-P energy: -13.429 bonds (distance) P-C4' energy: -12.027 flat angles C4'-P-C4' energy: -10.926 flat angles P-C4'-P energy: -10.414 tors. eta vs tors. theta energy: -17.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -201.603106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.603106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.603106 (E_RNA) where: Base-Base interactions energy: -134.307 where: short stacking energy: -56.132 Base-Backbone interact. energy: -0.379 local terms energy: -66.917539 where: bonds (distance) C4'-P energy: -13.959 bonds (distance) P-C4' energy: -13.560 flat angles C4'-P-C4' energy: -13.048 flat angles P-C4'-P energy: -9.515 tors. eta vs tors. theta energy: -16.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -195.435046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.435046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.435046 (E_RNA) where: Base-Base interactions energy: -131.410 where: short stacking energy: -55.233 Base-Backbone interact. energy: -0.002 local terms energy: -64.023201 where: bonds (distance) C4'-P energy: -13.453 bonds (distance) P-C4' energy: -11.467 flat angles C4'-P-C4' energy: -12.758 flat angles P-C4'-P energy: -9.489 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: 4, replica: 10 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -192.469512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.469512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.469512 (E_RNA) where: Base-Base interactions energy: -134.189 where: short stacking energy: -56.885 Base-Backbone interact. energy: -0.000 local terms energy: -58.279772 where: bonds (distance) C4'-P energy: -10.622 bonds (distance) P-C4' energy: -9.928 flat angles C4'-P-C4' energy: -11.090 flat angles P-C4'-P energy: -9.974 tors. eta vs tors. theta energy: -16.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -176.576694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.576694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.576694 (E_RNA) where: Base-Base interactions energy: -129.822 where: short stacking energy: -49.218 Base-Backbone interact. energy: -0.026 local terms energy: -46.728850 where: bonds (distance) C4'-P energy: -13.540 bonds (distance) P-C4' energy: -10.248 flat angles C4'-P-C4' energy: -4.822 flat angles P-C4'-P energy: -6.385 tors. eta vs tors. theta energy: -11.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -178.643505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.643505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.643505 (E_RNA) where: Base-Base interactions energy: -115.038 where: short stacking energy: -47.766 Base-Backbone interact. energy: -0.063 local terms energy: -63.542459 where: bonds (distance) C4'-P energy: -13.772 bonds (distance) P-C4' energy: -13.325 flat angles C4'-P-C4' energy: -12.503 flat angles P-C4'-P energy: -9.893 tors. eta vs tors. theta energy: -14.050 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: 5 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -181.457540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.457540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.457540 (E_RNA) where: Base-Base interactions energy: -126.578 where: short stacking energy: -56.838 Base-Backbone interact. energy: -0.001 local terms energy: -54.877793 where: bonds (distance) C4'-P energy: -9.099 bonds (distance) P-C4' energy: -12.634 flat angles C4'-P-C4' energy: -12.774 flat angles P-C4'-P energy: -3.875 tors. eta vs tors. theta energy: -16.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -165.682588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.682588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.682588 (E_RNA) where: Base-Base interactions energy: -110.713 where: short stacking energy: -46.477 Base-Backbone interact. energy: -0.050 local terms energy: -54.919438 where: bonds (distance) C4'-P energy: -9.636 bonds (distance) P-C4' energy: -12.170 flat angles C4'-P-C4' energy: -13.344 flat angles P-C4'-P energy: -7.352 tors. eta vs tors. theta energy: -12.417 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: 3 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -75.160410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.160410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.160410 (E_RNA) where: Base-Base interactions energy: -26.726 where: short stacking energy: -26.726 Base-Backbone interact. energy: -0.016 local terms energy: -48.418571 where: bonds (distance) C4'-P energy: -13.214 bonds (distance) P-C4' energy: -15.576 flat angles C4'-P-C4' energy: -11.404 flat angles P-C4'-P energy: -2.601 tors. eta vs tors. theta energy: -5.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -68.788695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.788695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.788695 (E_RNA) where: Base-Base interactions energy: -28.998 where: short stacking energy: -20.790 Base-Backbone interact. energy: -0.034 local terms energy: -39.757001 where: bonds (distance) C4'-P energy: -8.166 bonds (distance) P-C4' energy: -13.916 flat angles C4'-P-C4' energy: -6.460 flat angles P-C4'-P energy: -6.534 tors. eta vs tors. theta energy: -4.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -204.501754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.501754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.501754 (E_RNA) where: Base-Base interactions energy: -138.239 where: short stacking energy: -58.389 Base-Backbone interact. energy: -0.788 local terms energy: -65.475096 where: bonds (distance) C4'-P energy: -9.938 bonds (distance) P-C4' energy: -14.653 flat angles C4'-P-C4' energy: -12.819 flat angles P-C4'-P energy: -11.001 tors. eta vs tors. theta energy: -17.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -195.742590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.742590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.742590 (E_RNA) where: Base-Base interactions energy: -133.413 where: short stacking energy: -54.421 Base-Backbone interact. energy: 0.595 local terms energy: -62.925080 where: bonds (distance) C4'-P energy: -14.054 bonds (distance) P-C4' energy: -11.166 flat angles C4'-P-C4' energy: -10.430 flat angles P-C4'-P energy: -10.461 tors. eta vs tors. theta energy: -16.814 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: 9 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -199.790242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.790242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.790242 (E_RNA) where: Base-Base interactions energy: -143.773 where: short stacking energy: -61.887 Base-Backbone interact. energy: -0.003 local terms energy: -56.014160 where: bonds (distance) C4'-P energy: -12.006 bonds (distance) P-C4' energy: -13.827 flat angles C4'-P-C4' energy: -10.663 flat angles P-C4'-P energy: -4.839 tors. eta vs tors. theta energy: -14.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -196.044900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.044900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.044900 (E_RNA) where: Base-Base interactions energy: -133.007 where: short stacking energy: -52.979 Base-Backbone interact. energy: -0.002 local terms energy: -63.036599 where: bonds (distance) C4'-P energy: -13.727 bonds (distance) P-C4' energy: -13.766 flat angles C4'-P-C4' energy: -12.286 flat angles P-C4'-P energy: -8.328 tors. eta vs tors. theta energy: -14.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -171.788751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.788751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.788751 (E_RNA) where: Base-Base interactions energy: -127.446 where: short stacking energy: -56.409 Base-Backbone interact. energy: -0.019 local terms energy: -44.323327 where: bonds (distance) C4'-P energy: -9.147 bonds (distance) P-C4' energy: -8.677 flat angles C4'-P-C4' energy: -8.965 flat angles P-C4'-P energy: -6.510 tors. eta vs tors. theta energy: -11.024 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: 5 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -181.161518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.161518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.161518 (E_RNA) where: Base-Base interactions energy: -131.092 where: short stacking energy: -49.640 Base-Backbone interact. energy: -0.041 local terms energy: -50.028883 where: bonds (distance) C4'-P energy: -9.550 bonds (distance) P-C4' energy: -9.941 flat angles C4'-P-C4' energy: -8.432 flat angles P-C4'-P energy: -9.587 tors. eta vs tors. theta energy: -12.521 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: 135 Temperature: 1.200000 Total energy: -171.386177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.386177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.386177 (E_RNA) where: Base-Base interactions energy: -124.419 where: short stacking energy: -47.549 Base-Backbone interact. energy: -0.004 local terms energy: -46.963058 where: bonds (distance) C4'-P energy: -9.376 bonds (distance) P-C4' energy: -10.181 flat angles C4'-P-C4' energy: -11.527 flat angles P-C4'-P energy: -5.497 tors. eta vs tors. theta energy: -10.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -168.363730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.363730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.363730 (E_RNA) where: Base-Base interactions energy: -112.086 where: short stacking energy: -47.721 Base-Backbone interact. energy: -0.002 local terms energy: -56.276012 where: bonds (distance) C4'-P energy: -11.154 bonds (distance) P-C4' energy: -14.917 flat angles C4'-P-C4' energy: -12.883 flat angles P-C4'-P energy: -8.266 tors. eta vs tors. theta energy: -9.056 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: 3 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -65.339097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.339097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.339097 (E_RNA) where: Base-Base interactions energy: -22.862 where: short stacking energy: -22.862 Base-Backbone interact. energy: -0.147 local terms energy: -42.329924 where: bonds (distance) C4'-P energy: -10.800 bonds (distance) P-C4' energy: -12.796 flat angles C4'-P-C4' energy: -8.571 flat angles P-C4'-P energy: -8.026 tors. eta vs tors. theta energy: -2.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -72.926622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.926622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.926622 (E_RNA) where: Base-Base interactions energy: -41.042 where: short stacking energy: -12.176 Base-Backbone interact. energy: 0.491 local terms energy: -32.375807 where: bonds (distance) C4'-P energy: -11.445 bonds (distance) P-C4' energy: -10.055 flat angles C4'-P-C4' energy: -1.820 flat angles P-C4'-P energy: -6.812 tors. eta vs tors. theta energy: -2.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -204.653487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.653487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.653487 (E_RNA) where: Base-Base interactions energy: -138.644 where: short stacking energy: -62.078 Base-Backbone interact. energy: -0.001 local terms energy: -66.008419 where: bonds (distance) C4'-P energy: -13.826 bonds (distance) P-C4' energy: -14.867 flat angles C4'-P-C4' energy: -13.346 flat angles P-C4'-P energy: -8.928 tors. eta vs tors. theta energy: -15.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -196.862970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.862970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.862970 (E_RNA) where: Base-Base interactions energy: -132.616 where: short stacking energy: -54.520 Base-Backbone interact. energy: -0.001 local terms energy: -64.246412 where: bonds (distance) C4'-P energy: -13.397 bonds (distance) P-C4' energy: -12.665 flat angles C4'-P-C4' energy: -12.207 flat angles P-C4'-P energy: -9.397 tors. eta vs tors. theta energy: -16.581 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: 10 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -200.317564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.317564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.317564 (E_RNA) where: Base-Base interactions energy: -136.656 where: short stacking energy: -57.057 Base-Backbone interact. energy: -0.001 local terms energy: -63.661012 where: bonds (distance) C4'-P energy: -14.286 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -14.621 flat angles P-C4'-P energy: -7.870 tors. eta vs tors. theta energy: -17.824 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: 9 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -197.742648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.742648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.742648 (E_RNA) where: Base-Base interactions energy: -130.892 where: short stacking energy: -51.745 Base-Backbone interact. energy: -0.000 local terms energy: -66.850474 where: bonds (distance) C4'-P energy: -15.089 bonds (distance) P-C4' energy: -12.617 flat angles C4'-P-C4' energy: -14.785 flat angles P-C4'-P energy: -9.284 tors. eta vs tors. theta energy: -15.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -181.116371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.116371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.116371 (E_RNA) where: Base-Base interactions energy: -125.933 where: short stacking energy: -52.294 Base-Backbone interact. energy: -0.005 local terms energy: -55.178722 where: bonds (distance) C4'-P energy: -9.419 bonds (distance) P-C4' energy: -11.097 flat angles C4'-P-C4' energy: -14.188 flat angles P-C4'-P energy: -8.845 tors. eta vs tors. theta energy: -11.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -177.000917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.000917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.000917 (E_RNA) where: Base-Base interactions energy: -130.982 where: short stacking energy: -46.223 Base-Backbone interact. energy: -0.212 local terms energy: -45.807346 where: bonds (distance) C4'-P energy: -8.983 bonds (distance) P-C4' energy: -12.450 flat angles C4'-P-C4' energy: -12.190 flat angles P-C4'-P energy: -4.174 tors. eta vs tors. theta energy: -8.009 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: 4 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -186.181547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.181547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.181547 (E_RNA) where: Base-Base interactions energy: -128.750 where: short stacking energy: -52.156 Base-Backbone interact. energy: -0.006 local terms energy: -57.425414 where: bonds (distance) C4'-P energy: -10.887 bonds (distance) P-C4' energy: -11.563 flat angles C4'-P-C4' energy: -10.553 flat angles P-C4'-P energy: -11.256 tors. eta vs tors. theta energy: -13.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -163.521101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.521101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.521101 (E_RNA) where: Base-Base interactions energy: -108.118 where: short stacking energy: -39.867 Base-Backbone interact. energy: 0.298 local terms energy: -55.701783 where: bonds (distance) C4'-P energy: -13.428 bonds (distance) P-C4' energy: -12.230 flat angles C4'-P-C4' energy: -11.638 flat angles P-C4'-P energy: -8.939 tors. eta vs tors. theta energy: -9.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -74.141444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.141444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.141444 (E_RNA) where: Base-Base interactions energy: -34.394 where: short stacking energy: -17.521 Base-Backbone interact. energy: -0.033 local terms energy: -39.713762 where: bonds (distance) C4'-P energy: -11.203 bonds (distance) P-C4' energy: -9.941 flat angles C4'-P-C4' energy: -10.156 flat angles P-C4'-P energy: -1.574 tors. eta vs tors. theta energy: -6.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -67.308446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.308446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.308446 (E_RNA) where: Base-Base interactions energy: -25.825 where: short stacking energy: -25.825 Base-Backbone interact. energy: -0.057 local terms energy: -41.426411 where: bonds (distance) C4'-P energy: -8.685 bonds (distance) P-C4' energy: -13.131 flat angles C4'-P-C4' energy: -10.061 flat angles P-C4'-P energy: -3.572 tors. eta vs tors. theta energy: -5.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -203.728812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.728812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.728812 (E_RNA) where: Base-Base interactions energy: -141.114 where: short stacking energy: -58.843 Base-Backbone interact. energy: -0.002 local terms energy: -62.612063 where: bonds (distance) C4'-P energy: -13.524 bonds (distance) P-C4' energy: -11.686 flat angles C4'-P-C4' energy: -12.262 flat angles P-C4'-P energy: -8.655 tors. eta vs tors. theta energy: -16.485 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: 10 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -192.819771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.819771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.819771 (E_RNA) where: Base-Base interactions energy: -129.652 where: short stacking energy: -49.161 Base-Backbone interact. energy: -0.032 local terms energy: -63.134959 where: bonds (distance) C4'-P energy: -13.702 bonds (distance) P-C4' energy: -11.458 flat angles C4'-P-C4' energy: -15.246 flat angles P-C4'-P energy: -8.621 tors. eta vs tors. theta energy: -14.109 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: 3, replica: 1 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -197.094855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.094855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.094855 (E_RNA) where: Base-Base interactions energy: -138.563 where: short stacking energy: -56.478 Base-Backbone interact. energy: 0.102 local terms energy: -58.634091 where: bonds (distance) C4'-P energy: -11.398 bonds (distance) P-C4' energy: -10.991 flat angles C4'-P-C4' energy: -13.052 flat angles P-C4'-P energy: -8.829 tors. eta vs tors. theta energy: -14.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -182.249278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.249278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.249278 (E_RNA) where: Base-Base interactions energy: -131.732 where: short stacking energy: -50.795 Base-Backbone interact. energy: -0.030 local terms energy: -50.487345 where: bonds (distance) C4'-P energy: -10.258 bonds (distance) P-C4' energy: -9.728 flat angles C4'-P-C4' energy: -13.537 flat angles P-C4'-P energy: -5.664 tors. eta vs tors. theta energy: -11.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -180.289987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.289987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.289987 (E_RNA) where: Base-Base interactions energy: -124.232 where: short stacking energy: -51.311 Base-Backbone interact. energy: -0.020 local terms energy: -56.037701 where: bonds (distance) C4'-P energy: -9.591 bonds (distance) P-C4' energy: -12.248 flat angles C4'-P-C4' energy: -12.337 flat angles P-C4'-P energy: -3.457 tors. eta vs tors. theta energy: -18.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -168.691494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.691494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.691494 (E_RNA) where: Base-Base interactions energy: -118.575 where: short stacking energy: -44.622 Base-Backbone interact. energy: 0.010 local terms energy: -50.126753 where: bonds (distance) C4'-P energy: -11.819 bonds (distance) P-C4' energy: -14.646 flat angles C4'-P-C4' energy: -8.906 flat angles P-C4'-P energy: -8.461 tors. eta vs tors. theta energy: -6.295 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: 4 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -165.667962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.667962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.667962 (E_RNA) where: Base-Base interactions energy: -117.300 where: short stacking energy: -46.815 Base-Backbone interact. energy: -0.054 local terms energy: -48.313746 where: bonds (distance) C4'-P energy: -9.569 bonds (distance) P-C4' energy: -13.417 flat angles C4'-P-C4' energy: -11.232 flat angles P-C4'-P energy: -4.301 tors. eta vs tors. theta energy: -9.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -161.460347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.460347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.460347 (E_RNA) where: Base-Base interactions energy: -104.329 where: short stacking energy: -38.482 Base-Backbone interact. energy: -0.202 local terms energy: -56.928956 where: bonds (distance) C4'-P energy: -12.618 bonds (distance) P-C4' energy: -13.352 flat angles C4'-P-C4' energy: -14.322 flat angles P-C4'-P energy: -8.606 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: 9, replica: 8 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -65.072392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.072392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.072392 (E_RNA) where: Base-Base interactions energy: -18.983 where: short stacking energy: -18.983 Base-Backbone interact. energy: -1.144 local terms energy: -44.945607 where: bonds (distance) C4'-P energy: -12.072 bonds (distance) P-C4' energy: -12.827 flat angles C4'-P-C4' energy: -8.721 flat angles P-C4'-P energy: -4.982 tors. eta vs tors. theta energy: -6.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -60.954568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.954568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.954568 (E_RNA) where: Base-Base interactions energy: -17.196 where: short stacking energy: -16.145 Base-Backbone interact. energy: -0.062 local terms energy: -43.696059 where: bonds (distance) C4'-P energy: -7.148 bonds (distance) P-C4' energy: -13.254 flat angles C4'-P-C4' energy: -12.483 flat angles P-C4'-P energy: -8.236 tors. eta vs tors. theta energy: -2.574 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: 10 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -206.099717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.099717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.099717 (E_RNA) where: Base-Base interactions energy: -139.719 where: short stacking energy: -61.956 Base-Backbone interact. energy: -0.003 local terms energy: -66.377371 where: bonds (distance) C4'-P energy: -13.300 bonds (distance) P-C4' energy: -12.651 flat angles C4'-P-C4' energy: -13.711 flat angles P-C4'-P energy: -9.489 tors. eta vs tors. theta energy: -17.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -196.955136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.955136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.955136 (E_RNA) where: Base-Base interactions energy: -139.492 where: short stacking energy: -56.241 Base-Backbone interact. energy: -0.338 local terms energy: -57.124338 where: bonds (distance) C4'-P energy: -9.639 bonds (distance) P-C4' energy: -10.572 flat angles C4'-P-C4' energy: -11.908 flat angles P-C4'-P energy: -7.869 tors. eta vs tors. theta energy: -17.136 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: 5 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -192.606706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.606706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.606706 (E_RNA) where: Base-Base interactions energy: -132.212 where: short stacking energy: -49.916 Base-Backbone interact. energy: -0.311 local terms energy: -60.084032 where: bonds (distance) C4'-P energy: -10.840 bonds (distance) P-C4' energy: -13.532 flat angles C4'-P-C4' energy: -10.500 flat angles P-C4'-P energy: -9.450 tors. eta vs tors. theta energy: -15.761 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: 4, replica: 1 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -193.979345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.979345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.979345 (E_RNA) where: Base-Base interactions energy: -134.429 where: short stacking energy: -56.128 Base-Backbone interact. energy: -0.002 local terms energy: -59.549274 where: bonds (distance) C4'-P energy: -9.251 bonds (distance) P-C4' energy: -12.683 flat angles C4'-P-C4' energy: -13.814 flat angles P-C4'-P energy: -7.916 tors. eta vs tors. theta energy: -15.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -159.733631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.733631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.733631 (E_RNA) where: Base-Base interactions energy: -113.003 where: short stacking energy: -42.961 Base-Backbone interact. energy: -0.049 local terms energy: -46.681410 where: bonds (distance) C4'-P energy: -7.103 bonds (distance) P-C4' energy: -13.404 flat angles C4'-P-C4' energy: -9.324 flat angles P-C4'-P energy: -9.142 tors. eta vs tors. theta energy: -7.707 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: 9 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -185.181095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.181095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.181095 (E_RNA) where: Base-Base interactions energy: -126.067 where: short stacking energy: -50.725 Base-Backbone interact. energy: -0.001 local terms energy: -59.113554 where: bonds (distance) C4'-P energy: -13.019 bonds (distance) P-C4' energy: -13.540 flat angles C4'-P-C4' energy: -12.925 flat angles P-C4'-P energy: -7.238 tors. eta vs tors. theta energy: -12.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -176.710064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.710064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.710064 (E_RNA) where: Base-Base interactions energy: -123.909 where: short stacking energy: -47.665 Base-Backbone interact. energy: -0.151 local terms energy: -52.649913 where: bonds (distance) C4'-P energy: -5.628 bonds (distance) P-C4' energy: -12.172 flat angles C4'-P-C4' energy: -13.337 flat angles P-C4'-P energy: -8.258 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: 8, replica: 4 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -183.789369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.789369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.789369 (E_RNA) where: Base-Base interactions energy: -123.693 where: short stacking energy: -50.993 Base-Backbone interact. energy: -0.001 local terms energy: -60.095453 where: bonds (distance) C4'-P energy: -6.648 bonds (distance) P-C4' energy: -14.321 flat angles C4'-P-C4' energy: -13.490 flat angles P-C4'-P energy: -8.007 tors. eta vs tors. theta energy: -17.630 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: 3 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -60.941794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.941794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.941794 (E_RNA) where: Base-Base interactions energy: -20.599 where: short stacking energy: -19.383 Base-Backbone interact. energy: -0.004 local terms energy: -40.338171 where: bonds (distance) C4'-P energy: -10.800 bonds (distance) P-C4' energy: -12.631 flat angles C4'-P-C4' energy: -7.866 flat angles P-C4'-P energy: -6.060 tors. eta vs tors. theta energy: -2.982 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: 8 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -67.027431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.027431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.027431 (E_RNA) where: Base-Base interactions energy: -21.634 where: short stacking energy: -8.861 Base-Backbone interact. energy: -0.273 local terms energy: -45.120793 where: bonds (distance) C4'-P energy: -12.941 bonds (distance) P-C4' energy: -12.466 flat angles C4'-P-C4' energy: -11.120 flat angles P-C4'-P energy: -10.764 tors. eta vs tors. theta energy: 2.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -204.266873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.266873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.266873 (E_RNA) where: Base-Base interactions energy: -139.719 where: short stacking energy: -61.343 Base-Backbone interact. energy: -0.001 local terms energy: -64.547294 where: bonds (distance) C4'-P energy: -14.617 bonds (distance) P-C4' energy: -11.391 flat angles C4'-P-C4' energy: -13.032 flat angles P-C4'-P energy: -9.307 tors. eta vs tors. theta energy: -16.200 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: 2 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -196.844999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.844999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.844999 (E_RNA) where: Base-Base interactions energy: -133.748 where: short stacking energy: -53.702 Base-Backbone interact. energy: -0.126 local terms energy: -62.970776 where: bonds (distance) C4'-P energy: -11.429 bonds (distance) P-C4' energy: -13.744 flat angles C4'-P-C4' energy: -14.205 flat angles P-C4'-P energy: -8.020 tors. eta vs tors. theta energy: -15.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -188.384307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.384307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.384307 (E_RNA) where: Base-Base interactions energy: -125.792 where: short stacking energy: -61.526 Base-Backbone interact. energy: -0.001 local terms energy: -62.591609 where: bonds (distance) C4'-P energy: -10.991 bonds (distance) P-C4' energy: -11.837 flat angles C4'-P-C4' energy: -13.581 flat angles P-C4'-P energy: -10.933 tors. eta vs tors. theta energy: -15.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -192.304910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.304910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.304910 (E_RNA) where: Base-Base interactions energy: -134.222 where: short stacking energy: -63.006 Base-Backbone interact. energy: -0.006 local terms energy: -58.077189 where: bonds (distance) C4'-P energy: -11.984 bonds (distance) P-C4' energy: -14.442 flat angles C4'-P-C4' energy: -10.840 flat angles P-C4'-P energy: -2.520 tors. eta vs tors. theta energy: -18.292 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: 5, replica: 6 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -174.121886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.121886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.121886 (E_RNA) where: Base-Base interactions energy: -126.373 where: short stacking energy: -50.661 Base-Backbone interact. energy: -0.109 local terms energy: -47.639225 where: bonds (distance) C4'-P energy: -7.612 bonds (distance) P-C4' energy: -13.852 flat angles C4'-P-C4' energy: -11.029 flat angles P-C4'-P energy: -4.559 tors. eta vs tors. theta energy: -10.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -191.734120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.734120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.734120 (E_RNA) where: Base-Base interactions energy: -141.460 where: short stacking energy: -63.091 Base-Backbone interact. energy: -0.002 local terms energy: -50.272613 where: bonds (distance) C4'-P energy: -10.307 bonds (distance) P-C4' energy: -9.292 flat angles C4'-P-C4' energy: -10.779 flat angles P-C4'-P energy: -7.173 tors. eta vs tors. theta energy: -12.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -170.247979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.247979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.247979 (E_RNA) where: Base-Base interactions energy: -121.782 where: short stacking energy: -51.226 Base-Backbone interact. energy: -0.000 local terms energy: -48.465442 where: bonds (distance) C4'-P energy: -4.447 bonds (distance) P-C4' energy: -13.861 flat angles C4'-P-C4' energy: -10.604 flat angles P-C4'-P energy: -5.091 tors. eta vs tors. theta energy: -14.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -177.050629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.050629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.050629 (E_RNA) where: Base-Base interactions energy: -127.420 where: short stacking energy: -54.013 Base-Backbone interact. energy: -0.017 local terms energy: -49.614229 where: bonds (distance) C4'-P energy: -8.105 bonds (distance) P-C4' energy: -10.738 flat angles C4'-P-C4' energy: -12.451 flat angles P-C4'-P energy: -4.475 tors. eta vs tors. theta energy: -13.845 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: 3 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -74.983531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.983531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.983531 (E_RNA) where: Base-Base interactions energy: -25.800 where: short stacking energy: -25.800 Base-Backbone interact. energy: -0.344 local terms energy: -48.839499 where: bonds (distance) C4'-P energy: -13.416 bonds (distance) P-C4' energy: -10.516 flat angles C4'-P-C4' energy: -9.203 flat angles P-C4'-P energy: -9.921 tors. eta vs tors. theta energy: -5.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -62.431766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.431766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.431766 (E_RNA) where: Base-Base interactions energy: -18.435 where: short stacking energy: -18.435 Base-Backbone interact. energy: -0.173 local terms energy: -43.823501 where: bonds (distance) C4'-P energy: -9.101 bonds (distance) P-C4' energy: -15.072 flat angles C4'-P-C4' energy: -12.089 flat angles P-C4'-P energy: -7.930 tors. eta vs tors. theta energy: 0.369 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: 10 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -201.815227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.815227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.815227 (E_RNA) where: Base-Base interactions energy: -140.692 where: short stacking energy: -57.258 Base-Backbone interact. energy: -0.017 local terms energy: -61.105952 where: bonds (distance) C4'-P energy: -10.784 bonds (distance) P-C4' energy: -13.321 flat angles C4'-P-C4' energy: -9.070 flat angles P-C4'-P energy: -10.593 tors. eta vs tors. theta energy: -17.338 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: 2 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -193.785719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.785719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.785719 (E_RNA) where: Base-Base interactions energy: -132.883 where: short stacking energy: -55.671 Base-Backbone interact. energy: -0.065 local terms energy: -60.838265 where: bonds (distance) C4'-P energy: -12.083 bonds (distance) P-C4' energy: -13.272 flat angles C4'-P-C4' energy: -11.514 flat angles P-C4'-P energy: -10.597 tors. eta vs tors. theta energy: -13.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -198.058755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.058755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.058755 (E_RNA) where: Base-Base interactions energy: -135.346 where: short stacking energy: -52.272 Base-Backbone interact. energy: -0.012 local terms energy: -62.700461 where: bonds (distance) C4'-P energy: -12.092 bonds (distance) P-C4' energy: -11.009 flat angles C4'-P-C4' energy: -13.970 flat angles P-C4'-P energy: -9.403 tors. eta vs tors. theta energy: -16.227 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: 5 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -186.200288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.200288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.200288 (E_RNA) where: Base-Base interactions energy: -129.002 where: short stacking energy: -49.118 Base-Backbone interact. energy: 0.537 local terms energy: -57.734727 where: bonds (distance) C4'-P energy: -11.765 bonds (distance) P-C4' energy: -11.443 flat angles C4'-P-C4' energy: -13.869 flat angles P-C4'-P energy: -7.825 tors. eta vs tors. theta energy: -12.833 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: 7 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -184.366933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.366933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.366933 (E_RNA) where: Base-Base interactions energy: -128.361 where: short stacking energy: -47.199 Base-Backbone interact. energy: -0.052 local terms energy: -55.954834 where: bonds (distance) C4'-P energy: -10.854 bonds (distance) P-C4' energy: -10.373 flat angles C4'-P-C4' energy: -12.648 flat angles P-C4'-P energy: -10.059 tors. eta vs tors. theta energy: -12.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -170.462367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.462367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.462367 (E_RNA) where: Base-Base interactions energy: -120.881 where: short stacking energy: -52.524 Base-Backbone interact. energy: 0.735 local terms energy: -50.315809 where: bonds (distance) C4'-P energy: -9.375 bonds (distance) P-C4' energy: -14.389 flat angles C4'-P-C4' energy: -10.317 flat angles P-C4'-P energy: -5.518 tors. eta vs tors. theta energy: -10.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -177.343373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.343373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.343373 (E_RNA) where: Base-Base interactions energy: -124.444 where: short stacking energy: -49.278 Base-Backbone interact. energy: -0.054 local terms energy: -52.845232 where: bonds (distance) C4'-P energy: -10.551 bonds (distance) P-C4' energy: -7.949 flat angles C4'-P-C4' energy: -13.822 flat angles P-C4'-P energy: -8.269 tors. eta vs tors. theta energy: -12.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -177.731429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.731429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.731429 (E_RNA) where: Base-Base interactions energy: -122.398 where: short stacking energy: -51.009 Base-Backbone interact. energy: -0.047 local terms energy: -55.285962 where: bonds (distance) C4'-P energy: -10.300 bonds (distance) P-C4' energy: -10.119 flat angles C4'-P-C4' energy: -14.434 flat angles P-C4'-P energy: -6.841 tors. eta vs tors. theta energy: -13.591 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: 8 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -68.679787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.679787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.679787 (E_RNA) where: Base-Base interactions energy: -32.320 where: short stacking energy: -20.698 Base-Backbone interact. energy: 0.418 local terms energy: -36.778542 where: bonds (distance) C4'-P energy: -4.881 bonds (distance) P-C4' energy: -12.652 flat angles C4'-P-C4' energy: -10.692 flat angles P-C4'-P energy: -6.657 tors. eta vs tors. theta energy: -1.897 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: 3 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -61.104820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.104820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.104820 (E_RNA) where: Base-Base interactions energy: -20.061 where: short stacking energy: -9.716 Base-Backbone interact. energy: 0.391 local terms energy: -41.435494 where: bonds (distance) C4'-P energy: -11.107 bonds (distance) P-C4' energy: -14.026 flat angles C4'-P-C4' energy: -10.508 flat angles P-C4'-P energy: -6.262 tors. eta vs tors. theta energy: 0.467 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: 10 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -203.480013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.480013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.480013 (E_RNA) where: Base-Base interactions energy: -142.411 where: short stacking energy: -62.697 Base-Backbone interact. energy: -0.005 local terms energy: -61.063220 where: bonds (distance) C4'-P energy: -11.832 bonds (distance) P-C4' energy: -11.756 flat angles C4'-P-C4' energy: -11.800 flat angles P-C4'-P energy: -7.948 tors. eta vs tors. theta energy: -17.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -203.302766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.302766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.302766 (E_RNA) where: Base-Base interactions energy: -133.628 where: short stacking energy: -57.576 Base-Backbone interact. energy: -0.002 local terms energy: -69.672174 where: bonds (distance) C4'-P energy: -13.445 bonds (distance) P-C4' energy: -15.104 flat angles C4'-P-C4' energy: -12.064 flat angles P-C4'-P energy: -10.098 tors. eta vs tors. theta energy: -18.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -186.895205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.895205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.895205 (E_RNA) where: Base-Base interactions energy: -126.835 where: short stacking energy: -55.327 Base-Backbone interact. energy: -0.346 local terms energy: -59.714141 where: bonds (distance) C4'-P energy: -11.868 bonds (distance) P-C4' energy: -12.690 flat angles C4'-P-C4' energy: -11.923 flat angles P-C4'-P energy: -6.991 tors. eta vs tors. theta energy: -16.241 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: 5 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -196.296742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.296742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.296742 (E_RNA) where: Base-Base interactions energy: -140.454 where: short stacking energy: -58.640 Base-Backbone interact. energy: -0.004 local terms energy: -55.839116 where: bonds (distance) C4'-P energy: -11.115 bonds (distance) P-C4' energy: -8.092 flat angles C4'-P-C4' energy: -12.465 flat angles P-C4'-P energy: -7.526 tors. eta vs tors. theta energy: -16.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -186.225301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.225301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.225301 (E_RNA) where: Base-Base interactions energy: -120.925 where: short stacking energy: -57.588 Base-Backbone interact. energy: -0.373 local terms energy: -64.926484 where: bonds (distance) C4'-P energy: -13.863 bonds (distance) P-C4' energy: -13.660 flat angles C4'-P-C4' energy: -12.050 flat angles P-C4'-P energy: -7.953 tors. eta vs tors. theta energy: -17.400 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: 4 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -184.038168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.038168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.038168 (E_RNA) where: Base-Base interactions energy: -131.953 where: short stacking energy: -52.941 Base-Backbone interact. energy: -0.016 local terms energy: -52.069786 where: bonds (distance) C4'-P energy: -11.366 bonds (distance) P-C4' energy: -11.187 flat angles C4'-P-C4' energy: -11.449 flat angles P-C4'-P energy: -4.423 tors. eta vs tors. theta energy: -13.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -166.479347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.479347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.479347 (E_RNA) where: Base-Base interactions energy: -119.678 where: short stacking energy: -52.693 Base-Backbone interact. energy: -0.005 local terms energy: -46.796051 where: bonds (distance) C4'-P energy: -9.037 bonds (distance) P-C4' energy: -11.726 flat angles C4'-P-C4' energy: -11.058 flat angles P-C4'-P energy: -4.177 tors. eta vs tors. theta energy: -10.799 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: 8 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -72.971424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.971424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.971424 (E_RNA) where: Base-Base interactions energy: -24.192 where: short stacking energy: -19.698 Base-Backbone interact. energy: -0.031 local terms energy: -48.747834 where: bonds (distance) C4'-P energy: -14.173 bonds (distance) P-C4' energy: -12.866 flat angles C4'-P-C4' energy: -10.742 flat angles P-C4'-P energy: -8.554 tors. eta vs tors. theta energy: -2.412 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: 9, replica: 9 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -177.744328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.744328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.744328 (E_RNA) where: Base-Base interactions energy: -120.934 where: short stacking energy: -54.138 Base-Backbone interact. energy: -0.098 local terms energy: -56.712119 where: bonds (distance) C4'-P energy: -11.906 bonds (distance) P-C4' energy: -10.087 flat angles C4'-P-C4' energy: -11.583 flat angles P-C4'-P energy: -7.446 tors. eta vs tors. theta energy: -15.691 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: 3 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -69.920692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.920692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.920692 (E_RNA) where: Base-Base interactions energy: -31.040 where: short stacking energy: -30.962 Base-Backbone interact. energy: -0.013 local terms energy: -38.867294 where: bonds (distance) C4'-P energy: -10.547 bonds (distance) P-C4' energy: -9.905 flat angles C4'-P-C4' energy: -9.323 flat angles P-C4'-P energy: -5.423 tors. eta vs tors. theta energy: -3.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -202.922018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.922018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.922018 (E_RNA) where: Base-Base interactions energy: -136.589 where: short stacking energy: -58.103 Base-Backbone interact. energy: -0.002 local terms energy: -66.331451 where: bonds (distance) C4'-P energy: -12.182 bonds (distance) P-C4' energy: -14.231 flat angles C4'-P-C4' energy: -13.458 flat angles P-C4'-P energy: -9.000 tors. eta vs tors. theta energy: -17.461 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: 10 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -195.899404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.899404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.899404 (E_RNA) where: Base-Base interactions energy: -134.549 where: short stacking energy: -55.377 Base-Backbone interact. energy: -0.106 local terms energy: -61.244842 where: bonds (distance) C4'-P energy: -8.427 bonds (distance) P-C4' energy: -12.651 flat angles C4'-P-C4' energy: -16.088 flat angles P-C4'-P energy: -7.036 tors. eta vs tors. theta energy: -17.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -197.816953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.816953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.816953 (E_RNA) where: Base-Base interactions energy: -140.307 where: short stacking energy: -63.016 Base-Backbone interact. energy: -0.004 local terms energy: -57.505744 where: bonds (distance) C4'-P energy: -10.538 bonds (distance) P-C4' energy: -13.740 flat angles C4'-P-C4' energy: -11.109 flat angles P-C4'-P energy: -9.392 tors. eta vs tors. theta energy: -12.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -186.084582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.084582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.084582 (E_RNA) where: Base-Base interactions energy: -125.425 where: short stacking energy: -54.006 Base-Backbone interact. energy: -0.034 local terms energy: -60.625887 where: bonds (distance) C4'-P energy: -10.379 bonds (distance) P-C4' energy: -13.219 flat angles C4'-P-C4' energy: -13.678 flat angles P-C4'-P energy: -5.949 tors. eta vs tors. theta energy: -17.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -189.737780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.737780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.737780 (E_RNA) where: Base-Base interactions energy: -130.365 where: short stacking energy: -57.871 Base-Backbone interact. energy: -0.013 local terms energy: -59.360130 where: bonds (distance) C4'-P energy: -11.747 bonds (distance) P-C4' energy: -13.050 flat angles C4'-P-C4' energy: -11.836 flat angles P-C4'-P energy: -4.550 tors. eta vs tors. theta energy: -18.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -191.648881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.648881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.648881 (E_RNA) where: Base-Base interactions energy: -130.409 where: short stacking energy: -54.669 Base-Backbone interact. energy: -0.002 local terms energy: -61.238548 where: bonds (distance) C4'-P energy: -10.917 bonds (distance) P-C4' energy: -10.548 flat angles C4'-P-C4' energy: -13.831 flat angles P-C4'-P energy: -10.923 tors. eta vs tors. theta energy: -15.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -175.750223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.750223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.750223 (E_RNA) where: Base-Base interactions energy: -122.855 where: short stacking energy: -52.343 Base-Backbone interact. energy: -0.153 local terms energy: -52.742036 where: bonds (distance) C4'-P energy: -10.618 bonds (distance) P-C4' energy: -12.494 flat angles C4'-P-C4' energy: -13.206 flat angles P-C4'-P energy: -6.764 tors. eta vs tors. theta energy: -9.660 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: 8 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -65.349322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.349322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.349322 (E_RNA) where: Base-Base interactions energy: -30.010 where: short stacking energy: -30.010 Base-Backbone interact. energy: -0.004 local terms energy: -35.334587 where: bonds (distance) C4'-P energy: -11.835 bonds (distance) P-C4' energy: -8.694 flat angles C4'-P-C4' energy: -9.706 flat angles P-C4'-P energy: -0.164 tors. eta vs tors. theta energy: -4.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -161.865755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.865755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.865755 (E_RNA) where: Base-Base interactions energy: -112.339 where: short stacking energy: -42.396 Base-Backbone interact. energy: 0.575 local terms energy: -50.101916 where: bonds (distance) C4'-P energy: -7.408 bonds (distance) P-C4' energy: -10.312 flat angles C4'-P-C4' energy: -9.864 flat angles P-C4'-P energy: -10.777 tors. eta vs tors. theta energy: -11.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -63.388095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.388095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.388095 (E_RNA) where: Base-Base interactions energy: -25.914 where: short stacking energy: -18.161 Base-Backbone interact. energy: -0.020 local terms energy: -37.454122 where: bonds (distance) C4'-P energy: -6.284 bonds (distance) P-C4' energy: -15.336 flat angles C4'-P-C4' energy: -14.303 flat angles P-C4'-P energy: -2.642 tors. eta vs tors. theta energy: 1.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -199.136978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.136978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.136978 (E_RNA) where: Base-Base interactions energy: -136.895 where: short stacking energy: -56.638 Base-Backbone interact. energy: -0.349 local terms energy: -61.893411 where: bonds (distance) C4'-P energy: -12.299 bonds (distance) P-C4' energy: -13.088 flat angles C4'-P-C4' energy: -14.478 flat angles P-C4'-P energy: -4.024 tors. eta vs tors. theta energy: -18.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -201.389027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.389027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.389027 (E_RNA) where: Base-Base interactions energy: -139.483 where: short stacking energy: -59.992 Base-Backbone interact. energy: -0.003 local terms energy: -61.902752 where: bonds (distance) C4'-P energy: -13.640 bonds (distance) P-C4' energy: -14.290 flat angles C4'-P-C4' energy: -11.095 flat angles P-C4'-P energy: -7.358 tors. eta vs tors. theta energy: -15.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -198.989750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.989750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.989750 (E_RNA) where: Base-Base interactions energy: -139.400 where: short stacking energy: -59.149 Base-Backbone interact. energy: -0.000 local terms energy: -59.589655 where: bonds (distance) C4'-P energy: -11.749 bonds (distance) P-C4' energy: -12.523 flat angles C4'-P-C4' energy: -14.184 flat angles P-C4'-P energy: -7.537 tors. eta vs tors. theta energy: -13.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -198.713404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.713404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.713404 (E_RNA) where: Base-Base interactions energy: -138.967 where: short stacking energy: -61.420 Base-Backbone interact. energy: -0.244 local terms energy: -59.502489 where: bonds (distance) C4'-P energy: -11.952 bonds (distance) P-C4' energy: -9.813 flat angles C4'-P-C4' energy: -11.298 flat angles P-C4'-P energy: -8.964 tors. eta vs tors. theta energy: -17.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -186.027730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.027730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.027730 (E_RNA) where: Base-Base interactions energy: -126.534 where: short stacking energy: -62.616 Base-Backbone interact. energy: -0.003 local terms energy: -59.490641 where: bonds (distance) C4'-P energy: -11.861 bonds (distance) P-C4' energy: -12.564 flat angles C4'-P-C4' energy: -12.381 flat angles P-C4'-P energy: -7.100 tors. eta vs tors. theta energy: -15.585 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: 6, replica: 4 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -164.745119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.745119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.745119 (E_RNA) where: Base-Base interactions energy: -114.940 where: short stacking energy: -44.793 Base-Backbone interact. energy: -0.097 local terms energy: -49.708782 where: bonds (distance) C4'-P energy: -11.214 bonds (distance) P-C4' energy: -10.034 flat angles C4'-P-C4' energy: -10.408 flat angles P-C4'-P energy: -5.041 tors. eta vs tors. theta energy: -13.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -166.626154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.626154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.626154 (E_RNA) where: Base-Base interactions energy: -113.867 where: short stacking energy: -52.245 Base-Backbone interact. energy: -0.002 local terms energy: -52.757526 where: bonds (distance) C4'-P energy: -8.754 bonds (distance) P-C4' energy: -10.480 flat angles C4'-P-C4' energy: -12.633 flat angles P-C4'-P energy: -7.697 tors. eta vs tors. theta energy: -13.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -180.218529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.218529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.218529 (E_RNA) where: Base-Base interactions energy: -128.861 where: short stacking energy: -53.306 Base-Backbone interact. energy: -0.003 local terms energy: -51.354835 where: bonds (distance) C4'-P energy: -5.027 bonds (distance) P-C4' energy: -10.467 flat angles C4'-P-C4' energy: -13.856 flat angles P-C4'-P energy: -4.055 tors. eta vs tors. theta energy: -17.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -63.224145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.224145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.224145 (E_RNA) where: Base-Base interactions energy: -23.967 where: short stacking energy: -23.699 Base-Backbone interact. energy: -0.102 local terms energy: -39.155203 where: bonds (distance) C4'-P energy: -12.290 bonds (distance) P-C4' energy: -11.728 flat angles C4'-P-C4' energy: -8.182 flat angles P-C4'-P energy: -6.810 tors. eta vs tors. theta energy: -0.146 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: 3 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -64.164663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.164663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.164663 (E_RNA) where: Base-Base interactions energy: -19.927 where: short stacking energy: -17.986 Base-Backbone interact. energy: -0.328 local terms energy: -43.909670 where: bonds (distance) C4'-P energy: -12.137 bonds (distance) P-C4' energy: -14.797 flat angles C4'-P-C4' energy: -9.289 flat angles P-C4'-P energy: -6.274 tors. eta vs tors. theta energy: -1.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -205.447277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.447277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.447277 (E_RNA) where: Base-Base interactions energy: -141.561 where: short stacking energy: -59.425 Base-Backbone interact. energy: -0.002 local terms energy: -63.884846 where: bonds (distance) C4'-P energy: -13.814 bonds (distance) P-C4' energy: -13.848 flat angles C4'-P-C4' energy: -12.848 flat angles P-C4'-P energy: -7.164 tors. eta vs tors. theta energy: -16.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -199.283746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.283746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.283746 (E_RNA) where: Base-Base interactions energy: -136.621 where: short stacking energy: -55.610 Base-Backbone interact. energy: -0.145 local terms energy: -62.518040 where: bonds (distance) C4'-P energy: -13.388 bonds (distance) P-C4' energy: -13.702 flat angles C4'-P-C4' energy: -10.673 flat angles P-C4'-P energy: -7.854 tors. eta vs tors. theta energy: -16.902 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: 7 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -195.447400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.447400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.447400 (E_RNA) where: Base-Base interactions energy: -137.163 where: short stacking energy: -53.530 Base-Backbone interact. energy: -0.000 local terms energy: -58.283983 where: bonds (distance) C4'-P energy: -11.106 bonds (distance) P-C4' energy: -8.326 flat angles C4'-P-C4' energy: -13.055 flat angles P-C4'-P energy: -10.562 tors. eta vs tors. theta energy: -15.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -196.685653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.685653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.685653 (E_RNA) where: Base-Base interactions energy: -131.768 where: short stacking energy: -53.254 Base-Backbone interact. energy: -0.000 local terms energy: -64.917661 where: bonds (distance) C4'-P energy: -12.104 bonds (distance) P-C4' energy: -11.923 flat angles C4'-P-C4' energy: -13.584 flat angles P-C4'-P energy: -10.598 tors. eta vs tors. theta energy: -16.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -190.965598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.965598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.965598 (E_RNA) where: Base-Base interactions energy: -133.056 where: short stacking energy: -56.577 Base-Backbone interact. energy: -0.006 local terms energy: -57.904161 where: bonds (distance) C4'-P energy: -7.916 bonds (distance) P-C4' energy: -11.781 flat angles C4'-P-C4' energy: -12.530 flat angles P-C4'-P energy: -10.341 tors. eta vs tors. theta energy: -15.337 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: 5 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -188.788388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.788388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.788388 (E_RNA) where: Base-Base interactions energy: -128.610 where: short stacking energy: -52.113 Base-Backbone interact. energy: -0.248 local terms energy: -59.930290 where: bonds (distance) C4'-P energy: -11.314 bonds (distance) P-C4' energy: -12.628 flat angles C4'-P-C4' energy: -11.453 flat angles P-C4'-P energy: -9.462 tors. eta vs tors. theta energy: -15.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -194.542078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.542078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.542078 (E_RNA) where: Base-Base interactions energy: -136.273 where: short stacking energy: -58.230 Base-Backbone interact. energy: -0.004 local terms energy: -58.264534 where: bonds (distance) C4'-P energy: -10.398 bonds (distance) P-C4' energy: -9.491 flat angles C4'-P-C4' energy: -13.599 flat angles P-C4'-P energy: -9.034 tors. eta vs tors. theta energy: -15.743 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: 6 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -178.385595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.385595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.385595 (E_RNA) where: Base-Base interactions energy: -125.992 where: short stacking energy: -50.646 Base-Backbone interact. energy: -0.082 local terms energy: -52.311542 where: bonds (distance) C4'-P energy: -8.809 bonds (distance) P-C4' energy: -12.277 flat angles C4'-P-C4' energy: -13.373 flat angles P-C4'-P energy: -6.882 tors. eta vs tors. theta energy: -10.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -71.321038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.321038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.321038 (E_RNA) where: Base-Base interactions energy: -30.591 where: short stacking energy: -30.591 Base-Backbone interact. energy: -0.368 local terms energy: -40.361516 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -10.521 flat angles C4'-P-C4' energy: -10.954 flat angles P-C4'-P energy: -7.259 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: 10, replica: 8 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -62.952104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.952104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.952104 (E_RNA) where: Base-Base interactions energy: -18.502 where: short stacking energy: -18.502 Base-Backbone interact. energy: -0.037 local terms energy: -44.413311 where: bonds (distance) C4'-P energy: -13.896 bonds (distance) P-C4' energy: -10.125 flat angles C4'-P-C4' energy: -5.302 flat angles P-C4'-P energy: -9.159 tors. eta vs tors. theta energy: -5.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -206.098468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.098468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.098468 (E_RNA) where: Base-Base interactions energy: -136.594 where: short stacking energy: -58.335 Base-Backbone interact. energy: -0.008 local terms energy: -69.496261 where: bonds (distance) C4'-P energy: -12.643 bonds (distance) P-C4' energy: -14.582 flat angles C4'-P-C4' energy: -14.441 flat angles P-C4'-P energy: -9.979 tors. eta vs tors. theta energy: -17.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -200.429029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.429029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.429029 (E_RNA) where: Base-Base interactions energy: -137.900 where: short stacking energy: -58.995 Base-Backbone interact. energy: -0.002 local terms energy: -62.526477 where: bonds (distance) C4'-P energy: -13.180 bonds (distance) P-C4' energy: -12.839 flat angles C4'-P-C4' energy: -12.076 flat angles P-C4'-P energy: -7.598 tors. eta vs tors. theta energy: -16.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -198.861586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.861586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.861586 (E_RNA) where: Base-Base interactions energy: -135.893 where: short stacking energy: -53.718 Base-Backbone interact. energy: -0.001 local terms energy: -62.967574 where: bonds (distance) C4'-P energy: -11.943 bonds (distance) P-C4' energy: -11.328 flat angles C4'-P-C4' energy: -11.081 flat angles P-C4'-P energy: -11.499 tors. eta vs tors. theta energy: -17.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -195.445046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.445046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.445046 (E_RNA) where: Base-Base interactions energy: -139.913 where: short stacking energy: -59.093 Base-Backbone interact. energy: -0.001 local terms energy: -55.530563 where: bonds (distance) C4'-P energy: -10.928 bonds (distance) P-C4' energy: -9.450 flat angles C4'-P-C4' energy: -11.051 flat angles P-C4'-P energy: -7.414 tors. eta vs tors. theta energy: -16.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -189.338954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.338954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.338954 (E_RNA) where: Base-Base interactions energy: -126.744 where: short stacking energy: -51.228 Base-Backbone interact. energy: -0.014 local terms energy: -62.580804 where: bonds (distance) C4'-P energy: -9.367 bonds (distance) P-C4' energy: -12.505 flat angles C4'-P-C4' energy: -14.394 flat angles P-C4'-P energy: -10.794 tors. eta vs tors. theta energy: -15.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -179.092946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.092946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.092946 (E_RNA) where: Base-Base interactions energy: -121.260 where: short stacking energy: -49.610 Base-Backbone interact. energy: -0.004 local terms energy: -57.829051 where: bonds (distance) C4'-P energy: -11.288 bonds (distance) P-C4' energy: -12.500 flat angles C4'-P-C4' energy: -12.835 flat angles P-C4'-P energy: -7.498 tors. eta vs tors. theta energy: -13.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -192.948112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.948112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.948112 (E_RNA) where: Base-Base interactions energy: -137.001 where: short stacking energy: -56.297 Base-Backbone interact. energy: 0.138 local terms energy: -56.085280 where: bonds (distance) C4'-P energy: -9.492 bonds (distance) P-C4' energy: -10.805 flat angles C4'-P-C4' energy: -13.428 flat angles P-C4'-P energy: -7.084 tors. eta vs tors. theta energy: -15.276 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: 6 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -182.754650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.754650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.754650 (E_RNA) where: Base-Base interactions energy: -122.660 where: short stacking energy: -50.799 Base-Backbone interact. energy: -0.296 local terms energy: -59.798835 where: bonds (distance) C4'-P energy: -13.105 bonds (distance) P-C4' energy: -13.647 flat angles C4'-P-C4' energy: -10.702 flat angles P-C4'-P energy: -9.087 tors. eta vs tors. theta energy: -13.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -67.472366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.472366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.472366 (E_RNA) where: Base-Base interactions energy: -25.131 where: short stacking energy: -18.071 Base-Backbone interact. energy: -0.776 local terms energy: -41.565738 where: bonds (distance) C4'-P energy: -12.195 bonds (distance) P-C4' energy: -15.566 flat angles C4'-P-C4' energy: -8.538 flat angles P-C4'-P energy: -8.350 tors. eta vs tors. theta energy: 3.083 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: 8 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -62.144196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.144196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.144196 (E_RNA) where: Base-Base interactions energy: -26.599 where: short stacking energy: -21.051 Base-Backbone interact. energy: 0.742 local terms energy: -36.287642 where: bonds (distance) C4'-P energy: -11.036 bonds (distance) P-C4' energy: -12.557 flat angles C4'-P-C4' energy: -9.995 flat angles P-C4'-P energy: -4.774 tors. eta vs tors. theta energy: 2.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -209.098330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.098330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.098330 (E_RNA) where: Base-Base interactions energy: -144.493 where: short stacking energy: -58.923 Base-Backbone interact. energy: -0.044 local terms energy: -64.561588 where: bonds (distance) C4'-P energy: -11.864 bonds (distance) P-C4' energy: -14.621 flat angles C4'-P-C4' energy: -13.025 flat angles P-C4'-P energy: -6.805 tors. eta vs tors. theta energy: -18.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -200.709614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.709614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.709614 (E_RNA) where: Base-Base interactions energy: -135.834 where: short stacking energy: -54.601 Base-Backbone interact. energy: -0.000 local terms energy: -64.875149 where: bonds (distance) C4'-P energy: -13.338 bonds (distance) P-C4' energy: -11.021 flat angles C4'-P-C4' energy: -14.989 flat angles P-C4'-P energy: -10.049 tors. eta vs tors. theta energy: -15.479 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: 4 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -195.036850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.036850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.036850 (E_RNA) where: Base-Base interactions energy: -137.396 where: short stacking energy: -54.460 Base-Backbone interact. energy: 0.364 local terms energy: -58.004756 where: bonds (distance) C4'-P energy: -13.209 bonds (distance) P-C4' energy: -12.607 flat angles C4'-P-C4' energy: -12.129 flat angles P-C4'-P energy: -7.303 tors. eta vs tors. theta energy: -12.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -181.444357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.444357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.444357 (E_RNA) where: Base-Base interactions energy: -123.225 where: short stacking energy: -50.477 Base-Backbone interact. energy: 0.432 local terms energy: -58.650646 where: bonds (distance) C4'-P energy: -11.682 bonds (distance) P-C4' energy: -14.149 flat angles C4'-P-C4' energy: -8.605 flat angles P-C4'-P energy: -9.028 tors. eta vs tors. theta energy: -15.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -177.673304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.673304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.673304 (E_RNA) where: Base-Base interactions energy: -123.630 where: short stacking energy: -47.715 Base-Backbone interact. energy: -1.150 local terms energy: -52.893021 where: bonds (distance) C4'-P energy: -7.762 bonds (distance) P-C4' energy: -11.131 flat angles C4'-P-C4' energy: -14.396 flat angles P-C4'-P energy: -9.594 tors. eta vs tors. theta energy: -10.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -200.960348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.960348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.960348 (E_RNA) where: Base-Base interactions energy: -135.570 where: short stacking energy: -57.567 Base-Backbone interact. energy: -0.002 local terms energy: -65.388484 where: bonds (distance) C4'-P energy: -11.582 bonds (distance) P-C4' energy: -15.824 flat angles C4'-P-C4' energy: -13.001 flat angles P-C4'-P energy: -8.255 tors. eta vs tors. theta energy: -16.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -168.377915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.377915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.377915 (E_RNA) where: Base-Base interactions energy: -113.397 where: short stacking energy: -40.449 Base-Backbone interact. energy: -0.013 local terms energy: -54.967133 where: bonds (distance) C4'-P energy: -11.528 bonds (distance) P-C4' energy: -13.264 flat angles C4'-P-C4' energy: -9.187 flat angles P-C4'-P energy: -6.755 tors. eta vs tors. theta energy: -14.232 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: 5 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -169.751218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.751218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.751218 (E_RNA) where: Base-Base interactions energy: -120.222 where: short stacking energy: -51.651 Base-Backbone interact. energy: -0.728 local terms energy: -48.801404 where: bonds (distance) C4'-P energy: -5.356 bonds (distance) P-C4' energy: -11.993 flat angles C4'-P-C4' energy: -11.075 flat angles P-C4'-P energy: -6.180 tors. eta vs tors. theta energy: -14.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -69.123788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.123788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.123788 (E_RNA) where: Base-Base interactions energy: -36.306 where: short stacking energy: -20.597 Base-Backbone interact. energy: -0.773 local terms energy: -32.045407 where: bonds (distance) C4'-P energy: -6.118 bonds (distance) P-C4' energy: -11.691 flat angles C4'-P-C4' energy: -6.797 flat angles P-C4'-P energy: -4.348 tors. eta vs tors. theta energy: -3.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -66.912966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.912966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.912966 (E_RNA) where: Base-Base interactions energy: -31.309 where: short stacking energy: -21.861 Base-Backbone interact. energy: -0.083 local terms energy: -35.520849 where: bonds (distance) C4'-P energy: -7.072 bonds (distance) P-C4' energy: -11.393 flat angles C4'-P-C4' energy: -9.371 flat angles P-C4'-P energy: -2.608 tors. eta vs tors. theta energy: -5.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -201.205060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.205060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.205060 (E_RNA) where: Base-Base interactions energy: -136.734 where: short stacking energy: -60.408 Base-Backbone interact. energy: -0.005 local terms energy: -64.466060 where: bonds (distance) C4'-P energy: -12.377 bonds (distance) P-C4' energy: -14.661 flat angles C4'-P-C4' energy: -12.821 flat angles P-C4'-P energy: -8.447 tors. eta vs tors. theta energy: -16.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -200.986525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.986525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.986525 (E_RNA) where: Base-Base interactions energy: -140.201 where: short stacking energy: -60.486 Base-Backbone interact. energy: -0.002 local terms energy: -60.783601 where: bonds (distance) C4'-P energy: -10.745 bonds (distance) P-C4' energy: -12.820 flat angles C4'-P-C4' energy: -12.441 flat angles P-C4'-P energy: -7.922 tors. eta vs tors. theta energy: -16.855 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: 4 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -197.496143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.496143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.496143 (E_RNA) where: Base-Base interactions energy: -137.051 where: short stacking energy: -56.058 Base-Backbone interact. energy: -0.059 local terms energy: -60.385883 where: bonds (distance) C4'-P energy: -10.461 bonds (distance) P-C4' energy: -12.732 flat angles C4'-P-C4' energy: -11.316 flat angles P-C4'-P energy: -10.975 tors. eta vs tors. theta energy: -14.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -184.738089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.738089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.738089 (E_RNA) where: Base-Base interactions energy: -125.773 where: short stacking energy: -59.128 Base-Backbone interact. energy: -0.007 local terms energy: -58.957862 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -14.220 flat angles C4'-P-C4' energy: -13.534 flat angles P-C4'-P energy: -8.540 tors. eta vs tors. theta energy: -14.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -188.128840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.128840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.128840 (E_RNA) where: Base-Base interactions energy: -131.223 where: short stacking energy: -54.416 Base-Backbone interact. energy: -0.001 local terms energy: -56.904498 where: bonds (distance) C4'-P energy: -10.816 bonds (distance) P-C4' energy: -7.840 flat angles C4'-P-C4' energy: -13.176 flat angles P-C4'-P energy: -7.859 tors. eta vs tors. theta energy: -17.213 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: 147 Temperature: 1.150000 Total energy: -174.867991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.867991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.867991 (E_RNA) where: Base-Base interactions energy: -124.473 where: short stacking energy: -49.544 Base-Backbone interact. energy: -0.033 local terms energy: -50.361878 where: bonds (distance) C4'-P energy: -9.450 bonds (distance) P-C4' energy: -9.042 flat angles C4'-P-C4' energy: -11.950 flat angles P-C4'-P energy: -6.606 tors. eta vs tors. theta energy: -13.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -170.795627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.795627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.795627 (E_RNA) where: Base-Base interactions energy: -120.206 where: short stacking energy: -52.554 Base-Backbone interact. energy: -0.600 local terms energy: -49.989826 where: bonds (distance) C4'-P energy: -11.135 bonds (distance) P-C4' energy: -6.478 flat angles C4'-P-C4' energy: -12.986 flat angles P-C4'-P energy: -7.842 tors. eta vs tors. theta energy: -11.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -174.341232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.341232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.341232 (E_RNA) where: Base-Base interactions energy: -118.568 where: short stacking energy: -43.428 Base-Backbone interact. energy: -0.058 local terms energy: -55.714952 where: bonds (distance) C4'-P energy: -10.879 bonds (distance) P-C4' energy: -13.522 flat angles C4'-P-C4' energy: -12.605 flat angles P-C4'-P energy: -8.482 tors. eta vs tors. theta energy: -10.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -70.848069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.848069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.848069 (E_RNA) where: Base-Base interactions energy: -34.590 where: short stacking energy: -24.170 Base-Backbone interact. energy: -0.029 local terms energy: -36.229228 where: bonds (distance) C4'-P energy: -11.611 bonds (distance) P-C4' energy: -13.738 flat angles C4'-P-C4' energy: -7.057 flat angles P-C4'-P energy: -3.702 tors. eta vs tors. theta energy: -0.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -64.593192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.593192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.593192 (E_RNA) where: Base-Base interactions energy: -26.860 where: short stacking energy: -26.860 Base-Backbone interact. energy: -0.270 local terms energy: -37.463624 where: bonds (distance) C4'-P energy: -3.838 bonds (distance) P-C4' energy: -12.964 flat angles C4'-P-C4' energy: -10.638 flat angles P-C4'-P energy: -7.369 tors. eta vs tors. theta energy: -2.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -201.381520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.381520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.381520 (E_RNA) where: Base-Base interactions energy: -140.832 where: short stacking energy: -58.549 Base-Backbone interact. energy: -0.064 local terms energy: -60.485358 where: bonds (distance) C4'-P energy: -12.770 bonds (distance) P-C4' energy: -14.674 flat angles C4'-P-C4' energy: -12.664 flat angles P-C4'-P energy: -4.497 tors. eta vs tors. theta energy: -15.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -201.340419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.340419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.340419 (E_RNA) where: Base-Base interactions energy: -133.940 where: short stacking energy: -57.821 Base-Backbone interact. energy: -0.001 local terms energy: -67.399622 where: bonds (distance) C4'-P energy: -12.420 bonds (distance) P-C4' energy: -12.306 flat angles C4'-P-C4' energy: -14.910 flat angles P-C4'-P energy: -11.481 tors. eta vs tors. theta energy: -16.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -199.634343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.634343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.634343 (E_RNA) where: Base-Base interactions energy: -136.522 where: short stacking energy: -54.712 Base-Backbone interact. energy: -0.359 local terms energy: -62.753544 where: bonds (distance) C4'-P energy: -13.922 bonds (distance) P-C4' energy: -12.119 flat angles C4'-P-C4' energy: -10.577 flat angles P-C4'-P energy: -10.265 tors. eta vs tors. theta energy: -15.871 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: 4, replica: 9 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -180.298759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.298759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.298759 (E_RNA) where: Base-Base interactions energy: -127.404 where: short stacking energy: -48.143 Base-Backbone interact. energy: -0.168 local terms energy: -52.726972 where: bonds (distance) C4'-P energy: -11.152 bonds (distance) P-C4' energy: -13.762 flat angles C4'-P-C4' energy: -11.052 flat angles P-C4'-P energy: -8.519 tors. eta vs tors. theta energy: -8.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -186.185733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.185733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.185733 (E_RNA) where: Base-Base interactions energy: -125.666 where: short stacking energy: -58.507 Base-Backbone interact. energy: -0.025 local terms energy: -60.495249 where: bonds (distance) C4'-P energy: -11.231 bonds (distance) P-C4' energy: -9.060 flat angles C4'-P-C4' energy: -11.506 flat angles P-C4'-P energy: -11.727 tors. eta vs tors. theta energy: -16.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -185.931523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.931523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.931523 (E_RNA) where: Base-Base interactions energy: -127.388 where: short stacking energy: -52.241 Base-Backbone interact. energy: -0.009 local terms energy: -58.534684 where: bonds (distance) C4'-P energy: -11.843 bonds (distance) P-C4' energy: -12.933 flat angles C4'-P-C4' energy: -12.694 flat angles P-C4'-P energy: -7.921 tors. eta vs tors. theta energy: -13.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -180.742274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.742274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.742274 (E_RNA) where: Base-Base interactions energy: -124.833 where: short stacking energy: -51.096 Base-Backbone interact. energy: -0.009 local terms energy: -55.899916 where: bonds (distance) C4'-P energy: -12.679 bonds (distance) P-C4' energy: -11.772 flat angles C4'-P-C4' energy: -12.138 flat angles P-C4'-P energy: -7.084 tors. eta vs tors. theta energy: -12.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -160.542613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.542613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.542613 (E_RNA) where: Base-Base interactions energy: -105.396 where: short stacking energy: -41.074 Base-Backbone interact. energy: -0.121 local terms energy: -55.025769 where: bonds (distance) C4'-P energy: -13.214 bonds (distance) P-C4' energy: -12.528 flat angles C4'-P-C4' energy: -10.720 flat angles P-C4'-P energy: -11.196 tors. eta vs tors. theta energy: -7.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -80.618734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.618734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.618734 (E_RNA) where: Base-Base interactions energy: -35.834 where: short stacking energy: -28.669 Base-Backbone interact. energy: 0.793 local terms energy: -45.578182 where: bonds (distance) C4'-P energy: -13.247 bonds (distance) P-C4' energy: -12.927 flat angles C4'-P-C4' energy: -11.762 flat angles P-C4'-P energy: -5.292 tors. eta vs tors. theta energy: -2.350 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: 8 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -66.103614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.103614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.103614 (E_RNA) where: Base-Base interactions energy: -24.636 where: short stacking energy: -22.148 Base-Backbone interact. energy: -0.112 local terms energy: -41.355443 where: bonds (distance) C4'-P energy: -9.511 bonds (distance) P-C4' energy: -10.809 flat angles C4'-P-C4' energy: -10.894 flat angles P-C4'-P energy: -7.112 tors. eta vs tors. theta energy: -3.030 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: 1, replica: 2 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -203.714000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.714000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.714000 (E_RNA) where: Base-Base interactions energy: -141.012 where: short stacking energy: -59.962 Base-Backbone interact. energy: 1.035 local terms energy: -63.737019 where: bonds (distance) C4'-P energy: -11.935 bonds (distance) P-C4' energy: -13.518 flat angles C4'-P-C4' energy: -15.209 flat angles P-C4'-P energy: -8.561 tors. eta vs tors. theta energy: -14.514 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: 4 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -204.088805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.088805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.088805 (E_RNA) where: Base-Base interactions energy: -142.723 where: short stacking energy: -58.793 Base-Backbone interact. energy: -0.004 local terms energy: -61.361397 where: bonds (distance) C4'-P energy: -11.554 bonds (distance) P-C4' energy: -14.638 flat angles C4'-P-C4' energy: -9.912 flat angles P-C4'-P energy: -10.473 tors. eta vs tors. theta energy: -14.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -192.355568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.355568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.355568 (E_RNA) where: Base-Base interactions energy: -131.253 where: short stacking energy: -57.087 Base-Backbone interact. energy: -0.160 local terms energy: -60.942349 where: bonds (distance) C4'-P energy: -13.354 bonds (distance) P-C4' energy: -12.809 flat angles C4'-P-C4' energy: -13.274 flat angles P-C4'-P energy: -9.172 tors. eta vs tors. theta energy: -12.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -186.621105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.621105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.621105 (E_RNA) where: Base-Base interactions energy: -126.908 where: short stacking energy: -54.961 Base-Backbone interact. energy: 1.271 local terms energy: -60.983676 where: bonds (distance) C4'-P energy: -13.229 bonds (distance) P-C4' energy: -11.324 flat angles C4'-P-C4' energy: -13.076 flat angles P-C4'-P energy: -8.236 tors. eta vs tors. theta energy: -15.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -177.851035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.851035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.851035 (E_RNA) where: Base-Base interactions energy: -126.700 where: short stacking energy: -46.741 Base-Backbone interact. energy: -0.001 local terms energy: -51.150330 where: bonds (distance) C4'-P energy: -7.463 bonds (distance) P-C4' energy: -12.046 flat angles C4'-P-C4' energy: -13.417 flat angles P-C4'-P energy: -5.014 tors. eta vs tors. theta energy: -13.211 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: 5 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -177.171391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.171391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.171391 (E_RNA) where: Base-Base interactions energy: -127.385 where: short stacking energy: -48.702 Base-Backbone interact. energy: -0.642 local terms energy: -49.144164 where: bonds (distance) C4'-P energy: -7.298 bonds (distance) P-C4' energy: -14.358 flat angles C4'-P-C4' energy: -9.278 flat angles P-C4'-P energy: -6.482 tors. eta vs tors. theta energy: -11.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -167.751187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.751187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.751187 (E_RNA) where: Base-Base interactions energy: -113.281 where: short stacking energy: -45.843 Base-Backbone interact. energy: -0.202 local terms energy: -54.268317 where: bonds (distance) C4'-P energy: -9.305 bonds (distance) P-C4' energy: -12.398 flat angles C4'-P-C4' energy: -14.361 flat angles P-C4'-P energy: -8.539 tors. eta vs tors. theta energy: -9.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -169.900286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.900286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.900286 (E_RNA) where: Base-Base interactions energy: -118.655 where: short stacking energy: -47.229 Base-Backbone interact. energy: -0.033 local terms energy: -51.211870 where: bonds (distance) C4'-P energy: -11.400 bonds (distance) P-C4' energy: -12.240 flat angles C4'-P-C4' energy: -10.961 flat angles P-C4'-P energy: -5.902 tors. eta vs tors. theta energy: -10.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -75.403044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.403044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.403044 (E_RNA) where: Base-Base interactions energy: -34.517 where: short stacking energy: -34.435 Base-Backbone interact. energy: -0.003 local terms energy: -40.883808 where: bonds (distance) C4'-P energy: -12.912 bonds (distance) P-C4' energy: -9.632 flat angles C4'-P-C4' energy: -6.654 flat angles P-C4'-P energy: -5.701 tors. eta vs tors. theta energy: -5.985 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: 8 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -61.423324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.423324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.423324 (E_RNA) where: Base-Base interactions energy: -23.871 where: short stacking energy: -23.468 Base-Backbone interact. energy: -0.287 local terms energy: -37.265464 where: bonds (distance) C4'-P energy: -11.839 bonds (distance) P-C4' energy: -6.117 flat angles C4'-P-C4' energy: -14.685 flat angles P-C4'-P energy: -3.005 tors. eta vs tors. theta energy: -1.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -205.308195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.308195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.308195 (E_RNA) where: Base-Base interactions energy: -142.930 where: short stacking energy: -62.627 Base-Backbone interact. energy: -0.002 local terms energy: -62.376416 where: bonds (distance) C4'-P energy: -9.955 bonds (distance) P-C4' energy: -12.927 flat angles C4'-P-C4' energy: -13.720 flat angles P-C4'-P energy: -8.351 tors. eta vs tors. theta energy: -17.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -196.684481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.684481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.684481 (E_RNA) where: Base-Base interactions energy: -135.998 where: short stacking energy: -59.135 Base-Backbone interact. energy: -0.003 local terms energy: -60.683785 where: bonds (distance) C4'-P energy: -13.060 bonds (distance) P-C4' energy: -11.162 flat angles C4'-P-C4' energy: -12.420 flat angles P-C4'-P energy: -9.003 tors. eta vs tors. theta energy: -15.038 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: 3, replica: 1 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -193.547008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.547008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.547008 (E_RNA) where: Base-Base interactions energy: -133.759 where: short stacking energy: -55.426 Base-Backbone interact. energy: -0.002 local terms energy: -59.786408 where: bonds (distance) C4'-P energy: -4.355 bonds (distance) P-C4' energy: -13.504 flat angles C4'-P-C4' energy: -13.042 flat angles P-C4'-P energy: -10.363 tors. eta vs tors. theta energy: -18.522 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: 7 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -199.134694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.134694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.134694 (E_RNA) where: Base-Base interactions energy: -139.328 where: short stacking energy: -58.354 Base-Backbone interact. energy: -0.558 local terms energy: -59.248730 where: bonds (distance) C4'-P energy: -12.966 bonds (distance) P-C4' energy: -13.740 flat angles C4'-P-C4' energy: -10.122 flat angles P-C4'-P energy: -6.985 tors. eta vs tors. theta energy: -15.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -191.140477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.140477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.140477 (E_RNA) where: Base-Base interactions energy: -126.955 where: short stacking energy: -47.925 Base-Backbone interact. energy: -0.002 local terms energy: -64.183828 where: bonds (distance) C4'-P energy: -13.015 bonds (distance) P-C4' energy: -15.094 flat angles C4'-P-C4' energy: -14.076 flat angles P-C4'-P energy: -7.378 tors. eta vs tors. theta energy: -14.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -173.194049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.194049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.194049 (E_RNA) where: Base-Base interactions energy: -116.307 where: short stacking energy: -49.919 Base-Backbone interact. energy: -0.022 local terms energy: -56.865038 where: bonds (distance) C4'-P energy: -11.197 bonds (distance) P-C4' energy: -13.318 flat angles C4'-P-C4' energy: -12.374 flat angles P-C4'-P energy: -7.525 tors. eta vs tors. theta energy: -12.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -173.415296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.415296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.415296 (E_RNA) where: Base-Base interactions energy: -117.324 where: short stacking energy: -48.539 Base-Backbone interact. energy: -0.095 local terms energy: -55.996360 where: bonds (distance) C4'-P energy: -7.173 bonds (distance) P-C4' energy: -10.791 flat angles C4'-P-C4' energy: -11.811 flat angles P-C4'-P energy: -9.653 tors. eta vs tors. theta energy: -16.569 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: 10 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -172.478333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.478333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.478333 (E_RNA) where: Base-Base interactions energy: -117.869 where: short stacking energy: -47.310 Base-Backbone interact. energy: -0.000 local terms energy: -54.609489 where: bonds (distance) C4'-P energy: -8.568 bonds (distance) P-C4' energy: -12.309 flat angles C4'-P-C4' energy: -12.841 flat angles P-C4'-P energy: -7.526 tors. eta vs tors. theta energy: -13.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -102.048208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.048208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.048208 (E_RNA) where: Base-Base interactions energy: -52.462 where: short stacking energy: -27.840 Base-Backbone interact. energy: -0.496 local terms energy: -49.090152 where: bonds (distance) C4'-P energy: -7.570 bonds (distance) P-C4' energy: -12.571 flat angles C4'-P-C4' energy: -10.033 flat angles P-C4'-P energy: -10.407 tors. eta vs tors. theta energy: -8.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -69.425554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.425554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.425554 (E_RNA) where: Base-Base interactions energy: -34.538 where: short stacking energy: -27.894 Base-Backbone interact. energy: -0.011 local terms energy: -34.876416 where: bonds (distance) C4'-P energy: -9.081 bonds (distance) P-C4' energy: -4.780 flat angles C4'-P-C4' energy: -9.792 flat angles P-C4'-P energy: -4.084 tors. eta vs tors. theta energy: -7.140 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: 4 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -197.066720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.066720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.066720 (E_RNA) where: Base-Base interactions energy: -134.772 where: short stacking energy: -56.915 Base-Backbone interact. energy: -0.005 local terms energy: -62.289759 where: bonds (distance) C4'-P energy: -11.036 bonds (distance) P-C4' energy: -12.702 flat angles C4'-P-C4' energy: -12.711 flat angles P-C4'-P energy: -9.318 tors. eta vs tors. theta energy: -16.523 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: 2, replica: 1 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -199.084795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.084795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.084795 (E_RNA) where: Base-Base interactions energy: -139.226 where: short stacking energy: -55.090 Base-Backbone interact. energy: -0.049 local terms energy: -59.809721 where: bonds (distance) C4'-P energy: -13.132 bonds (distance) P-C4' energy: -11.609 flat angles C4'-P-C4' energy: -13.921 flat angles P-C4'-P energy: -2.528 tors. eta vs tors. theta energy: -18.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -202.672564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.672564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.672564 (E_RNA) where: Base-Base interactions energy: -143.987 where: short stacking energy: -60.104 Base-Backbone interact. energy: -0.037 local terms energy: -58.649185 where: bonds (distance) C4'-P energy: -10.112 bonds (distance) P-C4' energy: -10.392 flat angles C4'-P-C4' energy: -13.899 flat angles P-C4'-P energy: -9.318 tors. eta vs tors. theta energy: -14.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -191.713663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.713663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.713663 (E_RNA) where: Base-Base interactions energy: -138.671 where: short stacking energy: -56.607 Base-Backbone interact. energy: -0.002 local terms energy: -53.040442 where: bonds (distance) C4'-P energy: -13.090 bonds (distance) P-C4' energy: -9.263 flat angles C4'-P-C4' energy: -13.172 flat angles P-C4'-P energy: -3.111 tors. eta vs tors. theta energy: -14.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -185.206332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.206332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.206332 (E_RNA) where: Base-Base interactions energy: -129.749 where: short stacking energy: -56.276 Base-Backbone interact. energy: -0.029 local terms energy: -55.428519 where: bonds (distance) C4'-P energy: -11.242 bonds (distance) P-C4' energy: -10.594 flat angles C4'-P-C4' energy: -12.520 flat angles P-C4'-P energy: -8.258 tors. eta vs tors. theta energy: -12.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -179.957218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.957218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.957218 (E_RNA) where: Base-Base interactions energy: -123.694 where: short stacking energy: -53.931 Base-Backbone interact. energy: -0.028 local terms energy: -56.235423 where: bonds (distance) C4'-P energy: -11.003 bonds (distance) P-C4' energy: -8.033 flat angles C4'-P-C4' energy: -13.232 flat angles P-C4'-P energy: -9.170 tors. eta vs tors. theta energy: -14.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -172.484149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.484149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.484149 (E_RNA) where: Base-Base interactions energy: -120.953 where: short stacking energy: -44.688 Base-Backbone interact. energy: -0.009 local terms energy: -51.522793 where: bonds (distance) C4'-P energy: -10.099 bonds (distance) P-C4' energy: -13.299 flat angles C4'-P-C4' energy: -12.272 flat angles P-C4'-P energy: -5.842 tors. eta vs tors. theta energy: -10.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -170.006215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.006215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.006215 (E_RNA) where: Base-Base interactions energy: -124.214 where: short stacking energy: -51.972 Base-Backbone interact. energy: 2.081 local terms energy: -47.873663 where: bonds (distance) C4'-P energy: -14.253 bonds (distance) P-C4' energy: -13.534 flat angles C4'-P-C4' energy: -0.506 flat angles P-C4'-P energy: -9.350 tors. eta vs tors. theta energy: -10.231 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: 8 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -69.125302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.125302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.125302 (E_RNA) where: Base-Base interactions energy: -26.857 where: short stacking energy: -20.659 Base-Backbone interact. energy: -0.114 local terms energy: -42.153754 where: bonds (distance) C4'-P energy: -7.385 bonds (distance) P-C4' energy: -14.360 flat angles C4'-P-C4' energy: -11.616 flat angles P-C4'-P energy: -8.445 tors. eta vs tors. theta energy: -0.348 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: 3 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -65.084040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.084040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.084040 (E_RNA) where: Base-Base interactions energy: -18.934 where: short stacking energy: -17.692 Base-Backbone interact. energy: 1.227 local terms energy: -47.377245 where: bonds (distance) C4'-P energy: -12.850 bonds (distance) P-C4' energy: -12.969 flat angles C4'-P-C4' energy: -7.461 flat angles P-C4'-P energy: -5.513 tors. eta vs tors. theta energy: -8.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -203.570504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.570504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.570504 (E_RNA) where: Base-Base interactions energy: -146.112 where: short stacking energy: -61.677 Base-Backbone interact. energy: 0.257 local terms energy: -57.715034 where: bonds (distance) C4'-P energy: -9.633 bonds (distance) P-C4' energy: -10.348 flat angles C4'-P-C4' energy: -14.560 flat angles P-C4'-P energy: -6.365 tors. eta vs tors. theta energy: -16.810 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: 4 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -203.715340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.715340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.715340 (E_RNA) where: Base-Base interactions energy: -139.036 where: short stacking energy: -59.715 Base-Backbone interact. energy: -0.003 local terms energy: -64.677205 where: bonds (distance) C4'-P energy: -13.007 bonds (distance) P-C4' energy: -14.224 flat angles C4'-P-C4' energy: -12.532 flat angles P-C4'-P energy: -7.315 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: 3, replica: 5 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -194.830237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.830237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.830237 (E_RNA) where: Base-Base interactions energy: -137.775 where: short stacking energy: -58.856 Base-Backbone interact. energy: -0.083 local terms energy: -56.972115 where: bonds (distance) C4'-P energy: -11.484 bonds (distance) P-C4' energy: -12.401 flat angles C4'-P-C4' energy: -14.606 flat angles P-C4'-P energy: -3.668 tors. eta vs tors. theta energy: -14.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -191.695241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.695241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.695241 (E_RNA) where: Base-Base interactions energy: -135.168 where: short stacking energy: -57.861 Base-Backbone interact. energy: -0.000 local terms energy: -56.527248 where: bonds (distance) C4'-P energy: -14.050 bonds (distance) P-C4' energy: -10.756 flat angles C4'-P-C4' energy: -10.395 flat angles P-C4'-P energy: -7.017 tors. eta vs tors. theta energy: -14.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -184.755005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.755005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.755005 (E_RNA) where: Base-Base interactions energy: -123.470 where: short stacking energy: -54.046 Base-Backbone interact. energy: -0.133 local terms energy: -61.151623 where: bonds (distance) C4'-P energy: -13.301 bonds (distance) P-C4' energy: -12.666 flat angles C4'-P-C4' energy: -11.203 flat angles P-C4'-P energy: -11.152 tors. eta vs tors. theta energy: -12.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -165.603104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.603104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.603104 (E_RNA) where: Base-Base interactions energy: -118.085 where: short stacking energy: -48.133 Base-Backbone interact. energy: -0.100 local terms energy: -47.417531 where: bonds (distance) C4'-P energy: -9.901 bonds (distance) P-C4' energy: -11.812 flat angles C4'-P-C4' energy: -11.442 flat angles P-C4'-P energy: -7.318 tors. eta vs tors. theta energy: -6.944 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: 9 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -178.827256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.827256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.827256 (E_RNA) where: Base-Base interactions energy: -124.087 where: short stacking energy: -54.146 Base-Backbone interact. energy: 0.019 local terms energy: -54.759120 where: bonds (distance) C4'-P energy: -13.367 bonds (distance) P-C4' energy: -7.469 flat angles C4'-P-C4' energy: -9.616 flat angles P-C4'-P energy: -7.091 tors. eta vs tors. theta energy: -17.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -175.390199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.390199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.390199 (E_RNA) where: Base-Base interactions energy: -114.233 where: short stacking energy: -51.264 Base-Backbone interact. energy: -0.006 local terms energy: -61.151742 where: bonds (distance) C4'-P energy: -11.799 bonds (distance) P-C4' energy: -12.548 flat angles C4'-P-C4' energy: -13.643 flat angles P-C4'-P energy: -9.400 tors. eta vs tors. theta energy: -13.762 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: 9, replica: 3 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -80.948503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.948503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.948503 (E_RNA) where: Base-Base interactions energy: -39.677 where: short stacking energy: -17.124 Base-Backbone interact. energy: -0.518 local terms energy: -40.753937 where: bonds (distance) C4'-P energy: -14.377 bonds (distance) P-C4' energy: -13.125 flat angles C4'-P-C4' energy: -10.884 flat angles P-C4'-P energy: -2.650 tors. eta vs tors. theta energy: 0.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -71.652125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.652125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.652125 (E_RNA) where: Base-Base interactions energy: -29.598 where: short stacking energy: -22.141 Base-Backbone interact. energy: -0.086 local terms energy: -41.968658 where: bonds (distance) C4'-P energy: -5.960 bonds (distance) P-C4' energy: -12.594 flat angles C4'-P-C4' energy: -11.775 flat angles P-C4'-P energy: -9.486 tors. eta vs tors. theta energy: -2.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -201.774187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.774187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.774187 (E_RNA) where: Base-Base interactions energy: -137.501 where: short stacking energy: -55.880 Base-Backbone interact. energy: -0.002 local terms energy: -64.272085 where: bonds (distance) C4'-P energy: -11.376 bonds (distance) P-C4' energy: -15.333 flat angles C4'-P-C4' energy: -11.056 flat angles P-C4'-P energy: -9.488 tors. eta vs tors. theta energy: -17.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -198.608476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.608476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.608476 (E_RNA) where: Base-Base interactions energy: -138.400 where: short stacking energy: -56.583 Base-Backbone interact. energy: -0.001 local terms energy: -60.207547 where: bonds (distance) C4'-P energy: -13.950 bonds (distance) P-C4' energy: -12.129 flat angles C4'-P-C4' energy: -12.964 flat angles P-C4'-P energy: -6.377 tors. eta vs tors. theta energy: -14.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -191.845016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.845016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.845016 (E_RNA) where: Base-Base interactions energy: -128.784 where: short stacking energy: -58.245 Base-Backbone interact. energy: -0.033 local terms energy: -63.027510 where: bonds (distance) C4'-P energy: -8.429 bonds (distance) P-C4' energy: -13.567 flat angles C4'-P-C4' energy: -14.822 flat angles P-C4'-P energy: -9.147 tors. eta vs tors. theta energy: -17.062 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: 4, replica: 6 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -194.473829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.473829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.473829 (E_RNA) where: Base-Base interactions energy: -139.108 where: short stacking energy: -59.254 Base-Backbone interact. energy: 1.176 local terms energy: -56.541445 where: bonds (distance) C4'-P energy: -11.032 bonds (distance) P-C4' energy: -10.461 flat angles C4'-P-C4' energy: -12.153 flat angles P-C4'-P energy: -7.041 tors. eta vs tors. theta energy: -15.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -190.904748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.904748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.904748 (E_RNA) where: Base-Base interactions energy: -133.386 where: short stacking energy: -53.617 Base-Backbone interact. energy: -0.023 local terms energy: -57.496327 where: bonds (distance) C4'-P energy: -13.950 bonds (distance) P-C4' energy: -11.066 flat angles C4'-P-C4' energy: -12.644 flat angles P-C4'-P energy: -5.658 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: 6, replica: 9 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -182.996313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.996313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.996313 (E_RNA) where: Base-Base interactions energy: -124.253 where: short stacking energy: -53.053 Base-Backbone interact. energy: -0.115 local terms energy: -58.628238 where: bonds (distance) C4'-P energy: -13.566 bonds (distance) P-C4' energy: -8.973 flat angles C4'-P-C4' energy: -11.660 flat angles P-C4'-P energy: -10.004 tors. eta vs tors. theta energy: -14.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -177.360811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.360811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.360811 (E_RNA) where: Base-Base interactions energy: -124.324 where: short stacking energy: -53.506 Base-Backbone interact. energy: 0.135 local terms energy: -53.172117 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -12.461 flat angles C4'-P-C4' energy: -11.273 flat angles P-C4'-P energy: -7.596 tors. eta vs tors. theta energy: -15.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -170.551332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.551332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.551332 (E_RNA) where: Base-Base interactions energy: -120.650 where: short stacking energy: -52.471 Base-Backbone interact. energy: -0.169 local terms energy: -49.732273 where: bonds (distance) C4'-P energy: -10.263 bonds (distance) P-C4' energy: -11.115 flat angles C4'-P-C4' energy: -11.334 flat angles P-C4'-P energy: -8.652 tors. eta vs tors. theta energy: -8.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -62.831644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.831644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.831644 (E_RNA) where: Base-Base interactions energy: -21.043 where: short stacking energy: -21.043 Base-Backbone interact. energy: 0.016 local terms energy: -41.804776 where: bonds (distance) C4'-P energy: -9.846 bonds (distance) P-C4' energy: -9.750 flat angles C4'-P-C4' energy: -10.332 flat angles P-C4'-P energy: -9.299 tors. eta vs tors. theta energy: -2.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -61.152930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.152930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.152930 (E_RNA) where: Base-Base interactions energy: -22.280 where: short stacking energy: -22.280 Base-Backbone interact. energy: -0.058 local terms energy: -38.815327 where: bonds (distance) C4'-P energy: -8.673 bonds (distance) P-C4' energy: -12.419 flat angles C4'-P-C4' energy: -13.286 flat angles P-C4'-P energy: -5.546 tors. eta vs tors. theta energy: 1.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -203.447759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.447759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.447759 (E_RNA) where: Base-Base interactions energy: -138.449 where: short stacking energy: -60.381 Base-Backbone interact. energy: -0.043 local terms energy: -64.955835 where: bonds (distance) C4'-P energy: -12.585 bonds (distance) P-C4' energy: -12.641 flat angles C4'-P-C4' energy: -13.148 flat angles P-C4'-P energy: -9.466 tors. eta vs tors. theta energy: -17.116 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: 1 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -203.926208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.926208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.926208 (E_RNA) where: Base-Base interactions energy: -136.135 where: short stacking energy: -59.651 Base-Backbone interact. energy: -0.123 local terms energy: -67.668307 where: bonds (distance) C4'-P energy: -12.001 bonds (distance) P-C4' energy: -13.544 flat angles C4'-P-C4' energy: -15.176 flat angles P-C4'-P energy: -7.973 tors. eta vs tors. theta energy: -18.974 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: 6 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -198.214891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.214891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.214891 (E_RNA) where: Base-Base interactions energy: -137.878 where: short stacking energy: -60.253 Base-Backbone interact. energy: -0.003 local terms energy: -60.333827 where: bonds (distance) C4'-P energy: -14.439 bonds (distance) P-C4' energy: -11.908 flat angles C4'-P-C4' energy: -7.853 flat angles P-C4'-P energy: -10.113 tors. eta vs tors. theta energy: -16.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -200.026895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.026895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.026895 (E_RNA) where: Base-Base interactions energy: -137.874 where: short stacking energy: -59.073 Base-Backbone interact. energy: 0.656 local terms energy: -62.809220 where: bonds (distance) C4'-P energy: -14.671 bonds (distance) P-C4' energy: -12.566 flat angles C4'-P-C4' energy: -14.722 flat angles P-C4'-P energy: -5.972 tors. eta vs tors. theta energy: -14.878 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: 9 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -179.745351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.745351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.745351 (E_RNA) where: Base-Base interactions energy: -125.687 where: short stacking energy: -51.232 Base-Backbone interact. energy: -0.003 local terms energy: -54.054621 where: bonds (distance) C4'-P energy: -10.398 bonds (distance) P-C4' energy: -11.002 flat angles C4'-P-C4' energy: -10.869 flat angles P-C4'-P energy: -9.690 tors. eta vs tors. theta energy: -12.096 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: 2 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -184.956590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.956590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.956590 (E_RNA) where: Base-Base interactions energy: -123.585 where: short stacking energy: -52.535 Base-Backbone interact. energy: -0.119 local terms energy: -61.252530 where: bonds (distance) C4'-P energy: -13.487 bonds (distance) P-C4' energy: -9.249 flat angles C4'-P-C4' energy: -13.290 flat angles P-C4'-P energy: -10.632 tors. eta vs tors. theta energy: -14.595 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: 10 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -182.470460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.470460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.470460 (E_RNA) where: Base-Base interactions energy: -133.783 where: short stacking energy: -57.414 Base-Backbone interact. energy: -0.006 local terms energy: -48.682452 where: bonds (distance) C4'-P energy: -10.834 bonds (distance) P-C4' energy: -9.711 flat angles C4'-P-C4' energy: -7.955 flat angles P-C4'-P energy: -5.703 tors. eta vs tors. theta energy: -14.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -178.905242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.905242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.905242 (E_RNA) where: Base-Base interactions energy: -126.261 where: short stacking energy: -52.960 Base-Backbone interact. energy: -0.041 local terms energy: -52.603088 where: bonds (distance) C4'-P energy: -10.091 bonds (distance) P-C4' energy: -9.846 flat angles C4'-P-C4' energy: -14.274 flat angles P-C4'-P energy: -3.021 tors. eta vs tors. theta energy: -15.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -62.316332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.316332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.316332 (E_RNA) where: Base-Base interactions energy: -23.316 where: short stacking energy: -23.316 Base-Backbone interact. energy: -0.196 local terms energy: -38.804608 where: bonds (distance) C4'-P energy: -12.075 bonds (distance) P-C4' energy: -8.999 flat angles C4'-P-C4' energy: -11.081 flat angles P-C4'-P energy: -5.817 tors. eta vs tors. theta energy: -0.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -65.543303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.543303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.543303 (E_RNA) where: Base-Base interactions energy: -25.118 where: short stacking energy: -22.828 Base-Backbone interact. energy: -0.102 local terms energy: -40.323024 where: bonds (distance) C4'-P energy: -9.952 bonds (distance) P-C4' energy: -7.651 flat angles C4'-P-C4' energy: -12.465 flat angles P-C4'-P energy: -5.196 tors. eta vs tors. theta energy: -5.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -201.963125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.963125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.963125 (E_RNA) where: Base-Base interactions energy: -138.130 where: short stacking energy: -58.852 Base-Backbone interact. energy: 0.049 local terms energy: -63.881977 where: bonds (distance) C4'-P energy: -12.949 bonds (distance) P-C4' energy: -11.462 flat angles C4'-P-C4' energy: -14.492 flat angles P-C4'-P energy: -8.354 tors. eta vs tors. theta energy: -16.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -201.844186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.844186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.844186 (E_RNA) where: Base-Base interactions energy: -133.934 where: short stacking energy: -58.179 Base-Backbone interact. energy: -0.001 local terms energy: -67.909582 where: bonds (distance) C4'-P energy: -13.379 bonds (distance) P-C4' energy: -13.753 flat angles C4'-P-C4' energy: -14.788 flat angles P-C4'-P energy: -9.804 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: 3, replica: 1 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -200.757049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.757049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.757049 (E_RNA) where: Base-Base interactions energy: -142.280 where: short stacking energy: -58.519 Base-Backbone interact. energy: 0.398 local terms energy: -58.874497 where: bonds (distance) C4'-P energy: -12.538 bonds (distance) P-C4' energy: -13.215 flat angles C4'-P-C4' energy: -8.810 flat angles P-C4'-P energy: -6.233 tors. eta vs tors. theta energy: -18.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -190.270593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.270593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.270593 (E_RNA) where: Base-Base interactions energy: -133.947 where: short stacking energy: -58.062 Base-Backbone interact. energy: -0.001 local terms energy: -56.322655 where: bonds (distance) C4'-P energy: -9.708 bonds (distance) P-C4' energy: -11.846 flat angles C4'-P-C4' energy: -10.721 flat angles P-C4'-P energy: -8.913 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: 5, replica: 9 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -185.098862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.098862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.098862 (E_RNA) where: Base-Base interactions energy: -120.901 where: short stacking energy: -52.457 Base-Backbone interact. energy: -0.317 local terms energy: -63.880906 where: bonds (distance) C4'-P energy: -13.266 bonds (distance) P-C4' energy: -14.882 flat angles C4'-P-C4' energy: -13.354 flat angles P-C4'-P energy: -10.787 tors. eta vs tors. theta energy: -11.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -194.103429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.103429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.103429 (E_RNA) where: Base-Base interactions energy: -135.641 where: short stacking energy: -58.850 Base-Backbone interact. energy: 0.024 local terms energy: -58.486506 where: bonds (distance) C4'-P energy: -8.747 bonds (distance) P-C4' energy: -10.926 flat angles C4'-P-C4' energy: -11.749 flat angles P-C4'-P energy: -11.610 tors. eta vs tors. theta energy: -15.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -181.829730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.829730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.829730 (E_RNA) where: Base-Base interactions energy: -130.574 where: short stacking energy: -52.683 Base-Backbone interact. energy: -0.003 local terms energy: -51.252797 where: bonds (distance) C4'-P energy: -8.362 bonds (distance) P-C4' energy: -12.386 flat angles C4'-P-C4' energy: -6.538 flat angles P-C4'-P energy: -8.050 tors. eta vs tors. theta energy: -15.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -174.123429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.123429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.123429 (E_RNA) where: Base-Base interactions energy: -119.355 where: short stacking energy: -53.440 Base-Backbone interact. energy: -0.805 local terms energy: -53.962903 where: bonds (distance) C4'-P energy: -9.300 bonds (distance) P-C4' energy: -9.679 flat angles C4'-P-C4' energy: -12.156 flat angles P-C4'-P energy: -8.433 tors. eta vs tors. theta energy: -14.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -67.455323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.455323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.455323 (E_RNA) where: Base-Base interactions energy: -26.879 where: short stacking energy: -26.879 Base-Backbone interact. energy: -0.010 local terms energy: -40.566850 where: bonds (distance) C4'-P energy: -6.440 bonds (distance) P-C4' energy: -12.054 flat angles C4'-P-C4' energy: -9.705 flat angles P-C4'-P energy: -5.071 tors. eta vs tors. theta energy: -7.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -70.958477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.958477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.958477 (E_RNA) where: Base-Base interactions energy: -36.270 where: short stacking energy: -14.730 Base-Backbone interact. energy: -0.281 local terms energy: -34.407389 where: bonds (distance) C4'-P energy: -10.916 bonds (distance) P-C4' energy: -9.171 flat angles C4'-P-C4' energy: -6.975 flat angles P-C4'-P energy: -7.335 tors. eta vs tors. theta energy: -0.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -208.969846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.969846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.969846 (E_RNA) where: Base-Base interactions energy: -142.106 where: short stacking energy: -61.168 Base-Backbone interact. energy: -0.004 local terms energy: -66.859031 where: bonds (distance) C4'-P energy: -11.798 bonds (distance) P-C4' energy: -15.308 flat angles C4'-P-C4' energy: -11.496 flat angles P-C4'-P energy: -10.092 tors. eta vs tors. theta energy: -18.166 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: 4 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -201.087205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.087205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.087205 (E_RNA) where: Base-Base interactions energy: -139.923 where: short stacking energy: -58.721 Base-Backbone interact. energy: -0.002 local terms energy: -61.162699 where: bonds (distance) C4'-P energy: -11.781 bonds (distance) P-C4' energy: -11.711 flat angles C4'-P-C4' energy: -13.123 flat angles P-C4'-P energy: -8.174 tors. eta vs tors. theta energy: -16.374 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: 3, replica: 5 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -196.299268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.299268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.299268 (E_RNA) where: Base-Base interactions energy: -135.792 where: short stacking energy: -62.953 Base-Backbone interact. energy: -0.045 local terms energy: -60.462612 where: bonds (distance) C4'-P energy: -8.506 bonds (distance) P-C4' energy: -10.714 flat angles C4'-P-C4' energy: -15.717 flat angles P-C4'-P energy: -9.633 tors. eta vs tors. theta energy: -15.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -190.877515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.877515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.877515 (E_RNA) where: Base-Base interactions energy: -137.919 where: short stacking energy: -61.180 Base-Backbone interact. energy: -0.003 local terms energy: -52.955480 where: bonds (distance) C4'-P energy: -7.157 bonds (distance) P-C4' energy: -11.160 flat angles C4'-P-C4' energy: -13.156 flat angles P-C4'-P energy: -6.763 tors. eta vs tors. theta energy: -14.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -176.032899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.032899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.032899 (E_RNA) where: Base-Base interactions energy: -123.429 where: short stacking energy: -48.776 Base-Backbone interact. energy: -0.325 local terms energy: -52.279289 where: bonds (distance) C4'-P energy: -13.568 bonds (distance) P-C4' energy: -10.077 flat angles C4'-P-C4' energy: -11.322 flat angles P-C4'-P energy: -4.166 tors. eta vs tors. theta energy: -13.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -192.204891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.204891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.204891 (E_RNA) where: Base-Base interactions energy: -130.619 where: short stacking energy: -50.756 Base-Backbone interact. energy: -0.134 local terms energy: -61.451906 where: bonds (distance) C4'-P energy: -9.707 bonds (distance) P-C4' energy: -14.184 flat angles C4'-P-C4' energy: -13.183 flat angles P-C4'-P energy: -7.310 tors. eta vs tors. theta energy: -17.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -178.271160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.271160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.271160 (E_RNA) where: Base-Base interactions energy: -121.268 where: short stacking energy: -47.957 Base-Backbone interact. energy: -0.018 local terms energy: -56.985259 where: bonds (distance) C4'-P energy: -13.818 bonds (distance) P-C4' energy: -12.406 flat angles C4'-P-C4' energy: -12.861 flat angles P-C4'-P energy: -5.044 tors. eta vs tors. theta energy: -12.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -180.036662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.036662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.036662 (E_RNA) where: Base-Base interactions energy: -126.779 where: short stacking energy: -54.160 Base-Backbone interact. energy: -0.000 local terms energy: -53.257385 where: bonds (distance) C4'-P energy: -10.067 bonds (distance) P-C4' energy: -10.387 flat angles C4'-P-C4' energy: -11.252 flat angles P-C4'-P energy: -8.091 tors. eta vs tors. theta energy: -13.460 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: 3 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -65.829948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.829948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.829948 (E_RNA) where: Base-Base interactions energy: -34.622 where: short stacking energy: -24.483 Base-Backbone interact. energy: -0.049 local terms energy: -31.159164 where: bonds (distance) C4'-P energy: -8.506 bonds (distance) P-C4' energy: -9.905 flat angles C4'-P-C4' energy: -5.151 flat angles P-C4'-P energy: -7.265 tors. eta vs tors. theta energy: -0.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -78.949966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.949966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.949966 (E_RNA) where: Base-Base interactions energy: -41.691 where: short stacking energy: -28.056 Base-Backbone interact. energy: -0.107 local terms energy: -37.151745 where: bonds (distance) C4'-P energy: -11.710 bonds (distance) P-C4' energy: -9.593 flat angles C4'-P-C4' energy: -6.874 flat angles P-C4'-P energy: -6.828 tors. eta vs tors. theta energy: -2.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -207.233005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.233005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.233005 (E_RNA) where: Base-Base interactions energy: -142.219 where: short stacking energy: -59.561 Base-Backbone interact. energy: -0.001 local terms energy: -65.013270 where: bonds (distance) C4'-P energy: -11.641 bonds (distance) P-C4' energy: -14.904 flat angles C4'-P-C4' energy: -13.019 flat angles P-C4'-P energy: -10.931 tors. eta vs tors. theta energy: -14.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -191.303151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.303151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.303151 (E_RNA) where: Base-Base interactions energy: -129.534 where: short stacking energy: -55.547 Base-Backbone interact. energy: -0.012 local terms energy: -61.756611 where: bonds (distance) C4'-P energy: -11.541 bonds (distance) P-C4' energy: -12.638 flat angles C4'-P-C4' energy: -12.571 flat angles P-C4'-P energy: -10.681 tors. eta vs tors. theta energy: -14.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -193.506935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.506935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.506935 (E_RNA) where: Base-Base interactions energy: -134.448 where: short stacking energy: -54.274 Base-Backbone interact. energy: -0.910 local terms energy: -58.149576 where: bonds (distance) C4'-P energy: -9.892 bonds (distance) P-C4' energy: -11.095 flat angles C4'-P-C4' energy: -11.846 flat angles P-C4'-P energy: -9.205 tors. eta vs tors. theta energy: -16.111 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: 1 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -177.866710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.866710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.866710 (E_RNA) where: Base-Base interactions energy: -118.125 where: short stacking energy: -47.816 Base-Backbone interact. energy: -0.190 local terms energy: -59.552085 where: bonds (distance) C4'-P energy: -11.562 bonds (distance) P-C4' energy: -12.684 flat angles C4'-P-C4' energy: -13.408 flat angles P-C4'-P energy: -8.407 tors. eta vs tors. theta energy: -13.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -183.553851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.553851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.553851 (E_RNA) where: Base-Base interactions energy: -123.035 where: short stacking energy: -49.164 Base-Backbone interact. energy: -0.179 local terms energy: -60.338974 where: bonds (distance) C4'-P energy: -10.311 bonds (distance) P-C4' energy: -12.531 flat angles C4'-P-C4' energy: -13.057 flat angles P-C4'-P energy: -10.105 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: 6, replica: 7 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -179.682287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.682287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.682287 (E_RNA) where: Base-Base interactions energy: -120.108 where: short stacking energy: -58.716 Base-Backbone interact. energy: -0.002 local terms energy: -59.572045 where: bonds (distance) C4'-P energy: -10.515 bonds (distance) P-C4' energy: -11.355 flat angles C4'-P-C4' energy: -12.478 flat angles P-C4'-P energy: -9.009 tors. eta vs tors. theta energy: -16.215 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: 9 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -182.975214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.975214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.975214 (E_RNA) where: Base-Base interactions energy: -127.570 where: short stacking energy: -52.529 Base-Backbone interact. energy: -0.091 local terms energy: -55.314693 where: bonds (distance) C4'-P energy: -13.425 bonds (distance) P-C4' energy: -6.893 flat angles C4'-P-C4' energy: -10.934 flat angles P-C4'-P energy: -9.363 tors. eta vs tors. theta energy: -14.700 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: 8, replica: 2 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -185.252497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.252497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.252497 (E_RNA) where: Base-Base interactions energy: -126.423 where: short stacking energy: -56.120 Base-Backbone interact. energy: -0.001 local terms energy: -58.828239 where: bonds (distance) C4'-P energy: -9.405 bonds (distance) P-C4' energy: -13.364 flat angles C4'-P-C4' energy: -10.877 flat angles P-C4'-P energy: -8.481 tors. eta vs tors. theta energy: -16.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -68.840134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.840134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.840134 (E_RNA) where: Base-Base interactions energy: -30.587 where: short stacking energy: -22.839 Base-Backbone interact. energy: -0.032 local terms energy: -38.221083 where: bonds (distance) C4'-P energy: -9.177 bonds (distance) P-C4' energy: -9.837 flat angles C4'-P-C4' energy: -9.530 flat angles P-C4'-P energy: -5.351 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: 8 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -83.186999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.186999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.186999 (E_RNA) where: Base-Base interactions energy: -45.317 where: short stacking energy: -27.197 Base-Backbone interact. energy: -0.289 local terms energy: -37.580655 where: bonds (distance) C4'-P energy: -3.936 bonds (distance) P-C4' energy: -8.783 flat angles C4'-P-C4' energy: -10.337 flat angles P-C4'-P energy: -8.340 tors. eta vs tors. theta energy: -6.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -200.688767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.688767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.688767 (E_RNA) where: Base-Base interactions energy: -143.001 where: short stacking energy: -48.856 Base-Backbone interact. energy: 0.240 local terms energy: -57.926907 where: bonds (distance) C4'-P energy: -13.258 bonds (distance) P-C4' energy: -11.292 flat angles C4'-P-C4' energy: -14.032 flat angles P-C4'-P energy: -7.500 tors. eta vs tors. theta energy: -11.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -200.410552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.410552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.410552 (E_RNA) where: Base-Base interactions energy: -133.670 where: short stacking energy: -57.431 Base-Backbone interact. energy: -0.686 local terms energy: -66.053654 where: bonds (distance) C4'-P energy: -13.570 bonds (distance) P-C4' energy: -12.187 flat angles C4'-P-C4' energy: -13.076 flat angles P-C4'-P energy: -9.829 tors. eta vs tors. theta energy: -17.393 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: 4 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -197.980467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.980467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.980467 (E_RNA) where: Base-Base interactions energy: -136.771 where: short stacking energy: -55.105 Base-Backbone interact. energy: -0.005 local terms energy: -61.204669 where: bonds (distance) C4'-P energy: -12.336 bonds (distance) P-C4' energy: -11.743 flat angles C4'-P-C4' energy: -12.487 flat angles P-C4'-P energy: -8.257 tors. eta vs tors. theta energy: -16.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -186.552793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.552793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.552793 (E_RNA) where: Base-Base interactions energy: -134.788 where: short stacking energy: -53.501 Base-Backbone interact. energy: -0.019 local terms energy: -51.745379 where: bonds (distance) C4'-P energy: -7.662 bonds (distance) P-C4' energy: -15.573 flat angles C4'-P-C4' energy: -6.748 flat angles P-C4'-P energy: -8.138 tors. eta vs tors. theta energy: -13.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -182.153167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.153167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.153167 (E_RNA) where: Base-Base interactions energy: -129.710 where: short stacking energy: -53.638 Base-Backbone interact. energy: -0.128 local terms energy: -52.314949 where: bonds (distance) C4'-P energy: -10.738 bonds (distance) P-C4' energy: -11.880 flat angles C4'-P-C4' energy: -12.484 flat angles P-C4'-P energy: -5.615 tors. eta vs tors. theta energy: -11.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -184.427416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.427416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.427416 (E_RNA) where: Base-Base interactions energy: -131.406 where: short stacking energy: -49.764 Base-Backbone interact. energy: -0.061 local terms energy: -52.960647 where: bonds (distance) C4'-P energy: -14.030 bonds (distance) P-C4' energy: -9.269 flat angles C4'-P-C4' energy: -10.762 flat angles P-C4'-P energy: -5.261 tors. eta vs tors. theta energy: -13.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -171.367483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.367483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.367483 (E_RNA) where: Base-Base interactions energy: -117.951 where: short stacking energy: -52.567 Base-Backbone interact. energy: -0.856 local terms energy: -52.560483 where: bonds (distance) C4'-P energy: -7.592 bonds (distance) P-C4' energy: -10.651 flat angles C4'-P-C4' energy: -10.562 flat angles P-C4'-P energy: -8.938 tors. eta vs tors. theta energy: -14.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -162.008431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.008431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.008431 (E_RNA) where: Base-Base interactions energy: -116.361 where: short stacking energy: -46.588 Base-Backbone interact. energy: -0.001 local terms energy: -45.646889 where: bonds (distance) C4'-P energy: -10.850 bonds (distance) P-C4' energy: -11.726 flat angles C4'-P-C4' energy: -9.650 flat angles P-C4'-P energy: -1.781 tors. eta vs tors. theta energy: -11.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -61.599050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.599050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.599050 (E_RNA) where: Base-Base interactions energy: -15.457 where: short stacking energy: -15.457 Base-Backbone interact. energy: -0.098 local terms energy: -46.044524 where: bonds (distance) C4'-P energy: -11.942 bonds (distance) P-C4' energy: -12.466 flat angles C4'-P-C4' energy: -11.463 flat angles P-C4'-P energy: -7.733 tors. eta vs tors. theta energy: -2.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -62.304390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.304390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.304390 (E_RNA) where: Base-Base interactions energy: -27.474 where: short stacking energy: -26.106 Base-Backbone interact. energy: -0.115 local terms energy: -34.715956 where: bonds (distance) C4'-P energy: -11.801 bonds (distance) P-C4' energy: -9.273 flat angles C4'-P-C4' energy: -9.673 flat angles P-C4'-P energy: 1.328 tors. eta vs tors. theta energy: -5.297 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: 5 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -199.242131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.242131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.242131 (E_RNA) where: Base-Base interactions energy: -136.321 where: short stacking energy: -61.528 Base-Backbone interact. energy: -0.000 local terms energy: -62.920356 where: bonds (distance) C4'-P energy: -10.166 bonds (distance) P-C4' energy: -13.482 flat angles C4'-P-C4' energy: -13.639 flat angles P-C4'-P energy: -9.447 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: 2, replica: 4 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -202.076073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.076073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.076073 (E_RNA) where: Base-Base interactions energy: -134.513 where: short stacking energy: -56.483 Base-Backbone interact. energy: -0.587 local terms energy: -66.976062 where: bonds (distance) C4'-P energy: -12.607 bonds (distance) P-C4' energy: -13.035 flat angles C4'-P-C4' energy: -14.635 flat angles P-C4'-P energy: -9.712 tors. eta vs tors. theta energy: -16.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -196.237997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.237997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.237997 (E_RNA) where: Base-Base interactions energy: -133.525 where: short stacking energy: -59.793 Base-Backbone interact. energy: -0.002 local terms energy: -62.711264 where: bonds (distance) C4'-P energy: -11.132 bonds (distance) P-C4' energy: -12.187 flat angles C4'-P-C4' energy: -13.673 flat angles P-C4'-P energy: -9.776 tors. eta vs tors. theta energy: -15.943 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: 7 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -202.540238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.540238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.540238 (E_RNA) where: Base-Base interactions energy: -135.153 where: short stacking energy: -57.881 Base-Backbone interact. energy: 0.375 local terms energy: -67.762661 where: bonds (distance) C4'-P energy: -12.307 bonds (distance) P-C4' energy: -13.963 flat angles C4'-P-C4' energy: -13.836 flat angles P-C4'-P energy: -11.514 tors. eta vs tors. theta energy: -16.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -192.513229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.513229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.513229 (E_RNA) where: Base-Base interactions energy: -138.311 where: short stacking energy: -55.587 Base-Backbone interact. energy: 0.027 local terms energy: -54.230039 where: bonds (distance) C4'-P energy: -12.281 bonds (distance) P-C4' energy: -7.443 flat angles C4'-P-C4' energy: -11.165 flat angles P-C4'-P energy: -11.124 tors. eta vs tors. theta energy: -12.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -180.667636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.667636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.667636 (E_RNA) where: Base-Base interactions energy: -121.527 where: short stacking energy: -52.430 Base-Backbone interact. energy: -0.246 local terms energy: -58.894738 where: bonds (distance) C4'-P energy: -12.059 bonds (distance) P-C4' energy: -11.994 flat angles C4'-P-C4' energy: -13.690 flat angles P-C4'-P energy: -7.423 tors. eta vs tors. theta energy: -13.730 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: 10 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -171.690073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.690073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.690073 (E_RNA) where: Base-Base interactions energy: -120.235 where: short stacking energy: -50.022 Base-Backbone interact. energy: -0.437 local terms energy: -51.018030 where: bonds (distance) C4'-P energy: -12.721 bonds (distance) P-C4' energy: -9.647 flat angles C4'-P-C4' energy: -13.455 flat angles P-C4'-P energy: -3.146 tors. eta vs tors. theta energy: -12.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -171.621362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.621362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.621362 (E_RNA) where: Base-Base interactions energy: -117.939 where: short stacking energy: -49.995 Base-Backbone interact. energy: -0.000 local terms energy: -53.681921 where: bonds (distance) C4'-P energy: -11.251 bonds (distance) P-C4' energy: -10.088 flat angles C4'-P-C4' energy: -8.774 flat angles P-C4'-P energy: -7.643 tors. eta vs tors. theta energy: -15.926 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: 9, replica: 8 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -73.257895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.257895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.257895 (E_RNA) where: Base-Base interactions energy: -27.787 where: short stacking energy: -25.124 Base-Backbone interact. energy: -0.113 local terms energy: -45.357645 where: bonds (distance) C4'-P energy: -11.466 bonds (distance) P-C4' energy: -13.275 flat angles C4'-P-C4' energy: -11.025 flat angles P-C4'-P energy: -5.210 tors. eta vs tors. theta energy: -4.381 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: 3 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -69.382046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.382046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.382046 (E_RNA) where: Base-Base interactions energy: -31.424 where: short stacking energy: -30.151 Base-Backbone interact. energy: 0.275 local terms energy: -38.232702 where: bonds (distance) C4'-P energy: -6.739 bonds (distance) P-C4' energy: -12.954 flat angles C4'-P-C4' energy: -9.215 flat angles P-C4'-P energy: -6.589 tors. eta vs tors. theta energy: -2.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -205.076451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.076451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.076451 (E_RNA) where: Base-Base interactions energy: -138.007 where: short stacking energy: -62.026 Base-Backbone interact. energy: -0.006 local terms energy: -67.063567 where: bonds (distance) C4'-P energy: -11.426 bonds (distance) P-C4' energy: -14.882 flat angles C4'-P-C4' energy: -13.351 flat angles P-C4'-P energy: -10.101 tors. eta vs tors. theta energy: -17.304 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: 4 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -195.528260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.528260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.528260 (E_RNA) where: Base-Base interactions energy: -138.718 where: short stacking energy: -57.233 Base-Backbone interact. energy: -0.090 local terms energy: -56.720232 where: bonds (distance) C4'-P energy: -12.778 bonds (distance) P-C4' energy: -10.341 flat angles C4'-P-C4' energy: -11.598 flat angles P-C4'-P energy: -8.191 tors. eta vs tors. theta energy: -13.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -198.364523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.364523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.364523 (E_RNA) where: Base-Base interactions energy: -133.764 where: short stacking energy: -55.836 Base-Backbone interact. energy: -0.001 local terms energy: -64.599358 where: bonds (distance) C4'-P energy: -12.759 bonds (distance) P-C4' energy: -12.821 flat angles C4'-P-C4' energy: -13.328 flat angles P-C4'-P energy: -8.824 tors. eta vs tors. theta energy: -16.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -197.250084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.250084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.250084 (E_RNA) where: Base-Base interactions energy: -135.770 where: short stacking energy: -56.082 Base-Backbone interact. energy: -0.012 local terms energy: -61.467452 where: bonds (distance) C4'-P energy: -12.813 bonds (distance) P-C4' energy: -14.554 flat angles C4'-P-C4' energy: -12.376 flat angles P-C4'-P energy: -6.791 tors. eta vs tors. theta energy: -14.933 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: 2 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -185.906521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.906521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.906521 (E_RNA) where: Base-Base interactions energy: -129.963 where: short stacking energy: -48.962 Base-Backbone interact. energy: -0.088 local terms energy: -55.855573 where: bonds (distance) C4'-P energy: -13.284 bonds (distance) P-C4' energy: -9.089 flat angles C4'-P-C4' energy: -10.307 flat angles P-C4'-P energy: -6.802 tors. eta vs tors. theta energy: -16.374 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: 1 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -179.488610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.488610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.488610 (E_RNA) where: Base-Base interactions energy: -123.764 where: short stacking energy: -56.748 Base-Backbone interact. energy: -0.484 local terms energy: -55.241486 where: bonds (distance) C4'-P energy: -7.716 bonds (distance) P-C4' energy: -11.838 flat angles C4'-P-C4' energy: -14.562 flat angles P-C4'-P energy: -7.952 tors. eta vs tors. theta energy: -13.173 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: 10 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -178.781071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.781071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.781071 (E_RNA) where: Base-Base interactions energy: -118.636 where: short stacking energy: -50.734 Base-Backbone interact. energy: 0.527 local terms energy: -60.671804 where: bonds (distance) C4'-P energy: -13.123 bonds (distance) P-C4' energy: -8.751 flat angles C4'-P-C4' energy: -14.566 flat angles P-C4'-P energy: -9.317 tors. eta vs tors. theta energy: -14.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -180.019666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.019666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.019666 (E_RNA) where: Base-Base interactions energy: -118.821 where: short stacking energy: -42.602 Base-Backbone interact. energy: -0.412 local terms energy: -60.787322 where: bonds (distance) C4'-P energy: -12.465 bonds (distance) P-C4' energy: -9.367 flat angles C4'-P-C4' energy: -13.191 flat angles P-C4'-P energy: -10.122 tors. eta vs tors. theta energy: -15.642 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: 3 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -68.042799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.042799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.042799 (E_RNA) where: Base-Base interactions energy: -28.893 where: short stacking energy: -27.801 Base-Backbone interact. energy: -0.120 local terms energy: -39.029215 where: bonds (distance) C4'-P energy: -8.448 bonds (distance) P-C4' energy: -12.563 flat angles C4'-P-C4' energy: -7.980 flat angles P-C4'-P energy: -8.927 tors. eta vs tors. theta energy: -1.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -63.953260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.953260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.953260 (E_RNA) where: Base-Base interactions energy: -34.009 where: short stacking energy: -11.760 Base-Backbone interact. energy: -0.062 local terms energy: -29.883008 where: bonds (distance) C4'-P energy: -9.501 bonds (distance) P-C4' energy: -8.514 flat angles C4'-P-C4' energy: -7.365 flat angles P-C4'-P energy: -6.702 tors. eta vs tors. theta energy: 2.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -205.775296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.775296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.775296 (E_RNA) where: Base-Base interactions energy: -139.061 where: short stacking energy: -59.692 Base-Backbone interact. energy: -0.017 local terms energy: -66.697123 where: bonds (distance) C4'-P energy: -14.083 bonds (distance) P-C4' energy: -12.390 flat angles C4'-P-C4' energy: -13.620 flat angles P-C4'-P energy: -10.392 tors. eta vs tors. theta energy: -16.212 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: 6 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -198.023101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.023101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.023101 (E_RNA) where: Base-Base interactions energy: -137.035 where: short stacking energy: -58.263 Base-Backbone interact. energy: -0.000 local terms energy: -60.987717 where: bonds (distance) C4'-P energy: -11.624 bonds (distance) P-C4' energy: -10.804 flat angles C4'-P-C4' energy: -13.062 flat angles P-C4'-P energy: -8.913 tors. eta vs tors. theta energy: -16.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -198.270965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.270965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.270965 (E_RNA) where: Base-Base interactions energy: -142.541 where: short stacking energy: -59.058 Base-Backbone interact. energy: -0.000 local terms energy: -55.729058 where: bonds (distance) C4'-P energy: -9.843 bonds (distance) P-C4' energy: -7.486 flat angles C4'-P-C4' energy: -13.710 flat angles P-C4'-P energy: -9.432 tors. eta vs tors. theta energy: -15.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -182.880044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.880044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.880044 (E_RNA) where: Base-Base interactions energy: -129.214 where: short stacking energy: -57.858 Base-Backbone interact. energy: -0.007 local terms energy: -53.658948 where: bonds (distance) C4'-P energy: -11.906 bonds (distance) P-C4' energy: -11.023 flat angles C4'-P-C4' energy: -10.173 flat angles P-C4'-P energy: -8.889 tors. eta vs tors. theta energy: -11.668 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: 5, replica: 7 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -164.424914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.424914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.424914 (E_RNA) where: Base-Base interactions energy: -114.719 where: short stacking energy: -49.393 Base-Backbone interact. energy: -0.250 local terms energy: -49.455861 where: bonds (distance) C4'-P energy: -9.749 bonds (distance) P-C4' energy: -10.771 flat angles C4'-P-C4' energy: -7.856 flat angles P-C4'-P energy: -11.331 tors. eta vs tors. theta energy: -9.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -195.239458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.239458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.239458 (E_RNA) where: Base-Base interactions energy: -140.731 where: short stacking energy: -63.108 Base-Backbone interact. energy: -0.006 local terms energy: -54.502403 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -7.418 flat angles C4'-P-C4' energy: -13.311 flat angles P-C4'-P energy: -9.174 tors. eta vs tors. theta energy: -16.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -187.696822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.696822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.696822 (E_RNA) where: Base-Base interactions energy: -130.965 where: short stacking energy: -52.808 Base-Backbone interact. energy: -0.002 local terms energy: -56.729731 where: bonds (distance) C4'-P energy: -10.406 bonds (distance) P-C4' energy: -13.028 flat angles C4'-P-C4' energy: -13.509 flat angles P-C4'-P energy: -5.140 tors. eta vs tors. theta energy: -14.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -173.466378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.466378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.466378 (E_RNA) where: Base-Base interactions energy: -115.575 where: short stacking energy: -46.126 Base-Backbone interact. energy: -0.103 local terms energy: -57.788735 where: bonds (distance) C4'-P energy: -12.192 bonds (distance) P-C4' energy: -10.055 flat angles C4'-P-C4' energy: -12.883 flat angles P-C4'-P energy: -7.775 tors. eta vs tors. theta energy: -14.884 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: 3 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -73.409700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.409700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.409700 (E_RNA) where: Base-Base interactions energy: -33.596 where: short stacking energy: -33.596 Base-Backbone interact. energy: -0.443 local terms energy: -39.371295 where: bonds (distance) C4'-P energy: -9.118 bonds (distance) P-C4' energy: -11.031 flat angles C4'-P-C4' energy: -8.500 flat angles P-C4'-P energy: -6.601 tors. eta vs tors. theta energy: -4.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -66.968583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.968583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.968583 (E_RNA) where: Base-Base interactions energy: -23.654 where: short stacking energy: -22.891 Base-Backbone interact. energy: -0.067 local terms energy: -43.247426 where: bonds (distance) C4'-P energy: -9.141 bonds (distance) P-C4' energy: -13.345 flat angles C4'-P-C4' energy: -11.357 flat angles P-C4'-P energy: -7.256 tors. eta vs tors. theta energy: -2.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -203.584654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.584654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.584654 (E_RNA) where: Base-Base interactions energy: -140.689 where: short stacking energy: -58.352 Base-Backbone interact. energy: -0.211 local terms energy: -62.684868 where: bonds (distance) C4'-P energy: -14.741 bonds (distance) P-C4' energy: -10.525 flat angles C4'-P-C4' energy: -10.955 flat angles P-C4'-P energy: -9.951 tors. eta vs tors. theta energy: -16.513 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: 6 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -200.611751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.611751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.611751 (E_RNA) where: Base-Base interactions energy: -133.366 where: short stacking energy: -55.898 Base-Backbone interact. energy: -0.002 local terms energy: -67.243919 where: bonds (distance) C4'-P energy: -12.428 bonds (distance) P-C4' energy: -13.586 flat angles C4'-P-C4' energy: -15.022 flat angles P-C4'-P energy: -8.352 tors. eta vs tors. theta energy: -17.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -196.103163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.103163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.103163 (E_RNA) where: Base-Base interactions energy: -138.292 where: short stacking energy: -59.573 Base-Backbone interact. energy: -0.001 local terms energy: -57.810306 where: bonds (distance) C4'-P energy: -13.793 bonds (distance) P-C4' energy: -8.834 flat angles C4'-P-C4' energy: -11.712 flat angles P-C4'-P energy: -9.109 tors. eta vs tors. theta energy: -14.363 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: 4, replica: 2 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -190.397610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.397610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.397610 (E_RNA) where: Base-Base interactions energy: -127.465 where: short stacking energy: -55.212 Base-Backbone interact. energy: -0.051 local terms energy: -62.881916 where: bonds (distance) C4'-P energy: -14.563 bonds (distance) P-C4' energy: -9.796 flat angles C4'-P-C4' energy: -14.571 flat angles P-C4'-P energy: -8.612 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: 5, replica: 10 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -186.913512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.913512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.913512 (E_RNA) where: Base-Base interactions energy: -128.743 where: short stacking energy: -49.882 Base-Backbone interact. energy: -0.105 local terms energy: -58.065682 where: bonds (distance) C4'-P energy: -11.479 bonds (distance) P-C4' energy: -13.870 flat angles C4'-P-C4' energy: -8.228 flat angles P-C4'-P energy: -9.254 tors. eta vs tors. theta energy: -15.235 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: 7 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -179.392131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.392131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.392131 (E_RNA) where: Base-Base interactions energy: -122.709 where: short stacking energy: -49.407 Base-Backbone interact. energy: -0.007 local terms energy: -56.675822 where: bonds (distance) C4'-P energy: -11.367 bonds (distance) P-C4' energy: -13.512 flat angles C4'-P-C4' energy: -11.299 flat angles P-C4'-P energy: -7.529 tors. eta vs tors. theta energy: -12.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -165.522635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.522635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.522635 (E_RNA) where: Base-Base interactions energy: -115.883 where: short stacking energy: -46.586 Base-Backbone interact. energy: 1.982 local terms energy: -51.621648 where: bonds (distance) C4'-P energy: -11.695 bonds (distance) P-C4' energy: -8.332 flat angles C4'-P-C4' energy: -13.845 flat angles P-C4'-P energy: -7.943 tors. eta vs tors. theta energy: -9.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -178.526193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.526193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.526193 (E_RNA) where: Base-Base interactions energy: -125.654 where: short stacking energy: -49.363 Base-Backbone interact. energy: -0.771 local terms energy: -52.101267 where: bonds (distance) C4'-P energy: -6.852 bonds (distance) P-C4' energy: -11.677 flat angles C4'-P-C4' energy: -11.710 flat angles P-C4'-P energy: -8.621 tors. eta vs tors. theta energy: -13.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -68.613228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.613228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.613228 (E_RNA) where: Base-Base interactions energy: -25.158 where: short stacking energy: -25.158 Base-Backbone interact. energy: -0.048 local terms energy: -43.407659 where: bonds (distance) C4'-P energy: -10.995 bonds (distance) P-C4' energy: -14.639 flat angles C4'-P-C4' energy: -6.955 flat angles P-C4'-P energy: -6.037 tors. eta vs tors. theta energy: -4.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -65.965325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.965325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.965325 (E_RNA) where: Base-Base interactions energy: -23.708 where: short stacking energy: -19.211 Base-Backbone interact. energy: -0.059 local terms energy: -42.197823 where: bonds (distance) C4'-P energy: -8.038 bonds (distance) P-C4' energy: -12.218 flat angles C4'-P-C4' energy: -8.633 flat angles P-C4'-P energy: -5.971 tors. eta vs tors. theta energy: -7.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -203.705226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.705226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.705226 (E_RNA) where: Base-Base interactions energy: -142.654 where: short stacking energy: -60.674 Base-Backbone interact. energy: -0.001 local terms energy: -61.050128 where: bonds (distance) C4'-P energy: -11.939 bonds (distance) P-C4' energy: -11.730 flat angles C4'-P-C4' energy: -13.377 flat angles P-C4'-P energy: -6.697 tors. eta vs tors. theta energy: -17.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -201.707679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.707679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.707679 (E_RNA) where: Base-Base interactions energy: -135.157 where: short stacking energy: -59.359 Base-Backbone interact. energy: -1.058 local terms energy: -65.492749 where: bonds (distance) C4'-P energy: -11.980 bonds (distance) P-C4' energy: -14.825 flat angles C4'-P-C4' energy: -12.138 flat angles P-C4'-P energy: -10.509 tors. eta vs tors. theta energy: -16.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -197.378640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.378640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.378640 (E_RNA) where: Base-Base interactions energy: -136.785 where: short stacking energy: -55.229 Base-Backbone interact. energy: -0.240 local terms energy: -60.353840 where: bonds (distance) C4'-P energy: -12.410 bonds (distance) P-C4' energy: -14.202 flat angles C4'-P-C4' energy: -8.792 flat angles P-C4'-P energy: -8.646 tors. eta vs tors. theta energy: -16.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -182.277844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.277844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.277844 (E_RNA) where: Base-Base interactions energy: -128.318 where: short stacking energy: -51.939 Base-Backbone interact. energy: -0.001 local terms energy: -53.958777 where: bonds (distance) C4'-P energy: -8.830 bonds (distance) P-C4' energy: -14.907 flat angles C4'-P-C4' energy: -8.565 flat angles P-C4'-P energy: -8.633 tors. eta vs tors. theta energy: -13.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -191.634929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.634929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.634929 (E_RNA) where: Base-Base interactions energy: -133.407 where: short stacking energy: -56.325 Base-Backbone interact. energy: -0.139 local terms energy: -58.088430 where: bonds (distance) C4'-P energy: -7.683 bonds (distance) P-C4' energy: -13.963 flat angles C4'-P-C4' energy: -13.853 flat angles P-C4'-P energy: -6.299 tors. eta vs tors. theta energy: -16.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -182.601224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.601224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.601224 (E_RNA) where: Base-Base interactions energy: -124.913 where: short stacking energy: -44.308 Base-Backbone interact. energy: -0.004 local terms energy: -57.684911 where: bonds (distance) C4'-P energy: -10.974 bonds (distance) P-C4' energy: -12.788 flat angles C4'-P-C4' energy: -11.190 flat angles P-C4'-P energy: -8.512 tors. eta vs tors. theta energy: -14.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -179.911119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.911119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.911119 (E_RNA) where: Base-Base interactions energy: -123.424 where: short stacking energy: -55.867 Base-Backbone interact. energy: -0.076 local terms energy: -56.411687 where: bonds (distance) C4'-P energy: -9.964 bonds (distance) P-C4' energy: -9.890 flat angles C4'-P-C4' energy: -12.571 flat angles P-C4'-P energy: -7.629 tors. eta vs tors. theta energy: -16.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -169.274935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.274935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.274935 (E_RNA) where: Base-Base interactions energy: -114.940 where: short stacking energy: -44.465 Base-Backbone interact. energy: 0.372 local terms energy: -54.706926 where: bonds (distance) C4'-P energy: -10.331 bonds (distance) P-C4' energy: -11.886 flat angles C4'-P-C4' energy: -11.825 flat angles P-C4'-P energy: -7.945 tors. eta vs tors. theta energy: -12.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -82.528135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.528135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.528135 (E_RNA) where: Base-Base interactions energy: -40.338 where: short stacking energy: -28.453 Base-Backbone interact. energy: -0.105 local terms energy: -42.084491 where: bonds (distance) C4'-P energy: -8.928 bonds (distance) P-C4' energy: -4.831 flat angles C4'-P-C4' energy: -11.234 flat angles P-C4'-P energy: -7.573 tors. eta vs tors. theta energy: -9.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -62.230022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.230022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.230022 (E_RNA) where: Base-Base interactions energy: -22.113 where: short stacking energy: -22.113 Base-Backbone interact. energy: 0.367 local terms energy: -40.484600 where: bonds (distance) C4'-P energy: -10.142 bonds (distance) P-C4' energy: -12.147 flat angles C4'-P-C4' energy: -9.851 flat angles P-C4'-P energy: -7.588 tors. eta vs tors. theta energy: -0.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -204.767604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.767604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.767604 (E_RNA) where: Base-Base interactions energy: -148.224 where: short stacking energy: -59.344 Base-Backbone interact. energy: 0.324 local terms energy: -56.868081 where: bonds (distance) C4'-P energy: -11.131 bonds (distance) P-C4' energy: -15.333 flat angles C4'-P-C4' energy: -12.100 flat angles P-C4'-P energy: -5.673 tors. eta vs tors. theta energy: -12.632 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: 2, replica: 4 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -202.350987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.350987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.350987 (E_RNA) where: Base-Base interactions energy: -138.896 where: short stacking energy: -59.529 Base-Backbone interact. energy: -0.001 local terms energy: -63.454123 where: bonds (distance) C4'-P energy: -10.779 bonds (distance) P-C4' energy: -13.239 flat angles C4'-P-C4' energy: -13.305 flat angles P-C4'-P energy: -11.064 tors. eta vs tors. theta energy: -15.067 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: 6 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -197.273130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.273130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.273130 (E_RNA) where: Base-Base interactions energy: -131.337 where: short stacking energy: -54.766 Base-Backbone interact. energy: -0.003 local terms energy: -65.932789 where: bonds (distance) C4'-P energy: -13.967 bonds (distance) P-C4' energy: -10.185 flat angles C4'-P-C4' energy: -12.762 flat angles P-C4'-P energy: -11.349 tors. eta vs tors. theta energy: -17.670 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: 2 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -187.240023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.240023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.240023 (E_RNA) where: Base-Base interactions energy: -133.092 where: short stacking energy: -51.595 Base-Backbone interact. energy: -0.079 local terms energy: -54.068534 where: bonds (distance) C4'-P energy: -7.682 bonds (distance) P-C4' energy: -13.356 flat angles C4'-P-C4' energy: -12.537 flat angles P-C4'-P energy: -7.905 tors. eta vs tors. theta energy: -12.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -180.089038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.089038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.089038 (E_RNA) where: Base-Base interactions energy: -130.271 where: short stacking energy: -41.294 Base-Backbone interact. energy: -0.110 local terms energy: -49.708274 where: bonds (distance) C4'-P energy: -5.585 bonds (distance) P-C4' energy: -13.613 flat angles C4'-P-C4' energy: -11.446 flat angles P-C4'-P energy: -8.153 tors. eta vs tors. theta energy: -10.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -168.755760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.755760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.755760 (E_RNA) where: Base-Base interactions energy: -115.788 where: short stacking energy: -44.153 Base-Backbone interact. energy: -0.102 local terms energy: -52.865619 where: bonds (distance) C4'-P energy: -12.749 bonds (distance) P-C4' energy: -10.275 flat angles C4'-P-C4' energy: -12.495 flat angles P-C4'-P energy: -7.695 tors. eta vs tors. theta energy: -9.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -165.814312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.814312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.814312 (E_RNA) where: Base-Base interactions energy: -115.825 where: short stacking energy: -44.708 Base-Backbone interact. energy: -0.130 local terms energy: -49.859317 where: bonds (distance) C4'-P energy: -11.123 bonds (distance) P-C4' energy: -13.966 flat angles C4'-P-C4' energy: -10.943 flat angles P-C4'-P energy: -6.293 tors. eta vs tors. theta energy: -7.534 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: 7 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -177.929846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.929846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.929846 (E_RNA) where: Base-Base interactions energy: -125.558 where: short stacking energy: -49.882 Base-Backbone interact. energy: -0.166 local terms energy: -52.205439 where: bonds (distance) C4'-P energy: -7.034 bonds (distance) P-C4' energy: -13.088 flat angles C4'-P-C4' energy: -11.961 flat angles P-C4'-P energy: -7.902 tors. eta vs tors. theta energy: -12.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -72.504164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.504164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.504164 (E_RNA) where: Base-Base interactions energy: -34.728 where: short stacking energy: -14.237 Base-Backbone interact. energy: -0.159 local terms energy: -37.617197 where: bonds (distance) C4'-P energy: -8.018 bonds (distance) P-C4' energy: -9.606 flat angles C4'-P-C4' energy: -6.500 flat angles P-C4'-P energy: -7.219 tors. eta vs tors. theta energy: -6.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -60.540871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.540871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.540871 (E_RNA) where: Base-Base interactions energy: -18.719 where: short stacking energy: -18.719 Base-Backbone interact. energy: -0.039 local terms energy: -41.782047 where: bonds (distance) C4'-P energy: -7.223 bonds (distance) P-C4' energy: -9.347 flat angles C4'-P-C4' energy: -12.995 flat angles P-C4'-P energy: -9.781 tors. eta vs tors. theta energy: -2.437 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: 5 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -199.170005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.170005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.170005 (E_RNA) where: Base-Base interactions energy: -135.894 where: short stacking energy: -57.177 Base-Backbone interact. energy: -0.001 local terms energy: -63.275295 where: bonds (distance) C4'-P energy: -12.324 bonds (distance) P-C4' energy: -15.563 flat angles C4'-P-C4' energy: -13.262 flat angles P-C4'-P energy: -6.110 tors. eta vs tors. theta energy: -16.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -199.033351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.033351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.033351 (E_RNA) where: Base-Base interactions energy: -134.170 where: short stacking energy: -58.336 Base-Backbone interact. energy: -0.199 local terms energy: -64.664598 where: bonds (distance) C4'-P energy: -13.470 bonds (distance) P-C4' energy: -12.463 flat angles C4'-P-C4' energy: -11.851 flat angles P-C4'-P energy: -9.593 tors. eta vs tors. theta energy: -17.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -199.443138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.443138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.443138 (E_RNA) where: Base-Base interactions energy: -136.776 where: short stacking energy: -57.544 Base-Backbone interact. energy: -0.000 local terms energy: -62.667196 where: bonds (distance) C4'-P energy: -13.524 bonds (distance) P-C4' energy: -10.601 flat angles C4'-P-C4' energy: -13.366 flat angles P-C4'-P energy: -10.253 tors. eta vs tors. theta energy: -14.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -191.923875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.923875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.923875 (E_RNA) where: Base-Base interactions energy: -131.152 where: short stacking energy: -52.334 Base-Backbone interact. energy: 0.211 local terms energy: -60.982715 where: bonds (distance) C4'-P energy: -10.601 bonds (distance) P-C4' energy: -14.410 flat angles C4'-P-C4' energy: -12.077 flat angles P-C4'-P energy: -8.540 tors. eta vs tors. theta energy: -15.355 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: 5, replica: 9 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -173.334112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.334112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.334112 (E_RNA) where: Base-Base interactions energy: -119.234 where: short stacking energy: -51.482 Base-Backbone interact. energy: -0.017 local terms energy: -54.082968 where: bonds (distance) C4'-P energy: -12.787 bonds (distance) P-C4' energy: -10.993 flat angles C4'-P-C4' energy: -10.576 flat angles P-C4'-P energy: -6.208 tors. eta vs tors. theta energy: -13.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -185.880136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.880136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.880136 (E_RNA) where: Base-Base interactions energy: -127.860 where: short stacking energy: -51.048 Base-Backbone interact. energy: -0.022 local terms energy: -57.998165 where: bonds (distance) C4'-P energy: -10.870 bonds (distance) P-C4' energy: -8.370 flat angles C4'-P-C4' energy: -14.627 flat angles P-C4'-P energy: -10.197 tors. eta vs tors. theta energy: -13.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -180.700044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.700044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.700044 (E_RNA) where: Base-Base interactions energy: -121.333 where: short stacking energy: -45.670 Base-Backbone interact. energy: -0.082 local terms energy: -59.285560 where: bonds (distance) C4'-P energy: -12.084 bonds (distance) P-C4' energy: -13.846 flat angles C4'-P-C4' energy: -8.643 flat angles P-C4'-P energy: -10.576 tors. eta vs tors. theta energy: -14.137 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: 7 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -170.653455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.653455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.653455 (E_RNA) where: Base-Base interactions energy: -117.158 where: short stacking energy: -45.228 Base-Backbone interact. energy: -0.140 local terms energy: -53.354873 where: bonds (distance) C4'-P energy: -11.935 bonds (distance) P-C4' energy: -12.465 flat angles C4'-P-C4' energy: -9.086 flat angles P-C4'-P energy: -10.339 tors. eta vs tors. theta energy: -9.530 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: 8 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -64.800379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.800379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.800379 (E_RNA) where: Base-Base interactions energy: -24.819 where: short stacking energy: -16.067 Base-Backbone interact. energy: -0.102 local terms energy: -39.879284 where: bonds (distance) C4'-P energy: -10.825 bonds (distance) P-C4' energy: -12.391 flat angles C4'-P-C4' energy: -10.441 flat angles P-C4'-P energy: -4.631 tors. eta vs tors. theta energy: -1.592 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: 10, replica: 3 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -59.249288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.249288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.249288 (E_RNA) where: Base-Base interactions energy: -25.789 where: short stacking energy: -16.904 Base-Backbone interact. energy: -0.229 local terms energy: -33.231711 where: bonds (distance) C4'-P energy: -11.703 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -9.788 flat angles P-C4'-P energy: -3.171 tors. eta vs tors. theta energy: -3.917 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: 6 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -201.121829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.121829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.121829 (E_RNA) where: Base-Base interactions energy: -142.069 where: short stacking energy: -60.593 Base-Backbone interact. energy: -0.094 local terms energy: -58.958633 where: bonds (distance) C4'-P energy: -11.819 bonds (distance) P-C4' energy: -12.112 flat angles C4'-P-C4' energy: -14.370 flat angles P-C4'-P energy: -4.857 tors. eta vs tors. theta energy: -15.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -198.764038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.764038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.764038 (E_RNA) where: Base-Base interactions energy: -140.487 where: short stacking energy: -56.761 Base-Backbone interact. energy: -0.109 local terms energy: -58.167998 where: bonds (distance) C4'-P energy: -8.081 bonds (distance) P-C4' energy: -11.891 flat angles C4'-P-C4' energy: -12.913 flat angles P-C4'-P energy: -7.089 tors. eta vs tors. theta energy: -18.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -199.697527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.697527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.697527 (E_RNA) where: Base-Base interactions energy: -139.620 where: short stacking energy: -60.310 Base-Backbone interact. energy: 0.066 local terms energy: -60.142879 where: bonds (distance) C4'-P energy: -12.962 bonds (distance) P-C4' energy: -9.496 flat angles C4'-P-C4' energy: -13.484 flat angles P-C4'-P energy: -9.476 tors. eta vs tors. theta energy: -14.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -198.684499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.684499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.684499 (E_RNA) where: Base-Base interactions energy: -139.296 where: short stacking energy: -56.882 Base-Backbone interact. energy: -0.056 local terms energy: -59.332609 where: bonds (distance) C4'-P energy: -10.978 bonds (distance) P-C4' energy: -14.199 flat angles C4'-P-C4' energy: -12.381 flat angles P-C4'-P energy: -6.190 tors. eta vs tors. theta energy: -15.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -172.774735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.774735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.774735 (E_RNA) where: Base-Base interactions energy: -106.972 where: short stacking energy: -45.000 Base-Backbone interact. energy: -0.099 local terms energy: -65.704082 where: bonds (distance) C4'-P energy: -12.511 bonds (distance) P-C4' energy: -15.112 flat angles C4'-P-C4' energy: -13.739 flat angles P-C4'-P energy: -10.708 tors. eta vs tors. theta energy: -13.635 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: 1 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -186.221114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.221114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.221114 (E_RNA) where: Base-Base interactions energy: -126.877 where: short stacking energy: -49.880 Base-Backbone interact. energy: -0.001 local terms energy: -59.343042 where: bonds (distance) C4'-P energy: -10.821 bonds (distance) P-C4' energy: -12.517 flat angles C4'-P-C4' energy: -10.758 flat angles P-C4'-P energy: -7.596 tors. eta vs tors. theta energy: -17.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -188.374202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.374202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.374202 (E_RNA) where: Base-Base interactions energy: -129.709 where: short stacking energy: -58.354 Base-Backbone interact. energy: -0.589 local terms energy: -58.076268 where: bonds (distance) C4'-P energy: -12.393 bonds (distance) P-C4' energy: -9.622 flat angles C4'-P-C4' energy: -9.496 flat angles P-C4'-P energy: -8.531 tors. eta vs tors. theta energy: -18.034 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: 8, replica: 10 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -171.396387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.396387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.396387 (E_RNA) where: Base-Base interactions energy: -118.409 where: short stacking energy: -54.681 Base-Backbone interact. energy: -0.040 local terms energy: -52.946756 where: bonds (distance) C4'-P energy: -7.324 bonds (distance) P-C4' energy: -14.205 flat angles C4'-P-C4' energy: -10.951 flat angles P-C4'-P energy: -4.371 tors. eta vs tors. theta energy: -16.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -71.667990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.667990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.667990 (E_RNA) where: Base-Base interactions energy: -23.270 where: short stacking energy: -19.315 Base-Backbone interact. energy: -0.058 local terms energy: -48.339896 where: bonds (distance) C4'-P energy: -9.430 bonds (distance) P-C4' energy: -12.448 flat angles C4'-P-C4' energy: -11.925 flat angles P-C4'-P energy: -8.433 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: 3 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -71.776819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.776819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.776819 (E_RNA) where: Base-Base interactions energy: -24.533 where: short stacking energy: -24.533 Base-Backbone interact. energy: -0.212 local terms energy: -47.032297 where: bonds (distance) C4'-P energy: -9.748 bonds (distance) P-C4' energy: -12.736 flat angles C4'-P-C4' energy: -10.540 flat angles P-C4'-P energy: -9.708 tors. eta vs tors. theta energy: -4.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -202.875788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.875788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.875788 (E_RNA) where: Base-Base interactions energy: -140.412 where: short stacking energy: -57.027 Base-Backbone interact. energy: -0.099 local terms energy: -62.364941 where: bonds (distance) C4'-P energy: -11.668 bonds (distance) P-C4' energy: -11.709 flat angles C4'-P-C4' energy: -12.118 flat angles P-C4'-P energy: -9.167 tors. eta vs tors. theta energy: -17.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -198.314667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.314667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.314667 (E_RNA) where: Base-Base interactions energy: -138.874 where: short stacking energy: -56.665 Base-Backbone interact. energy: -0.000 local terms energy: -59.440780 where: bonds (distance) C4'-P energy: -8.969 bonds (distance) P-C4' energy: -13.018 flat angles C4'-P-C4' energy: -13.997 flat angles P-C4'-P energy: -5.958 tors. eta vs tors. theta energy: -17.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -199.127472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.127472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.127472 (E_RNA) where: Base-Base interactions energy: -139.673 where: short stacking energy: -58.977 Base-Backbone interact. energy: -0.001 local terms energy: -59.453460 where: bonds (distance) C4'-P energy: -10.394 bonds (distance) P-C4' energy: -13.068 flat angles C4'-P-C4' energy: -12.974 flat angles P-C4'-P energy: -7.396 tors. eta vs tors. theta energy: -15.621 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: 9 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -193.742492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.742492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.742492 (E_RNA) where: Base-Base interactions energy: -135.305 where: short stacking energy: -58.803 Base-Backbone interact. energy: -0.001 local terms energy: -58.436598 where: bonds (distance) C4'-P energy: -13.321 bonds (distance) P-C4' energy: -9.479 flat angles C4'-P-C4' energy: -13.638 flat angles P-C4'-P energy: -5.336 tors. eta vs tors. theta energy: -16.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -194.240538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.240538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.240538 (E_RNA) where: Base-Base interactions energy: -133.327 where: short stacking energy: -55.730 Base-Backbone interact. energy: -0.042 local terms energy: -60.872018 where: bonds (distance) C4'-P energy: -14.245 bonds (distance) P-C4' energy: -15.365 flat angles C4'-P-C4' energy: -12.547 flat angles P-C4'-P energy: -2.729 tors. eta vs tors. theta energy: -15.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -173.777531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.777531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.777531 (E_RNA) where: Base-Base interactions energy: -119.604 where: short stacking energy: -48.199 Base-Backbone interact. energy: -0.261 local terms energy: -53.913051 where: bonds (distance) C4'-P energy: -7.750 bonds (distance) P-C4' energy: -11.578 flat angles C4'-P-C4' energy: -14.236 flat angles P-C4'-P energy: -7.471 tors. eta vs tors. theta energy: -12.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -167.851894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.851894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.851894 (E_RNA) where: Base-Base interactions energy: -112.812 where: short stacking energy: -39.855 Base-Backbone interact. energy: -0.100 local terms energy: -54.940071 where: bonds (distance) C4'-P energy: -10.151 bonds (distance) P-C4' energy: -11.884 flat angles C4'-P-C4' energy: -10.172 flat angles P-C4'-P energy: -9.181 tors. eta vs tors. theta energy: -13.552 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: 10 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -170.901799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.901799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.901799 (E_RNA) where: Base-Base interactions energy: -116.645 where: short stacking energy: -47.644 Base-Backbone interact. energy: -0.011 local terms energy: -54.246162 where: bonds (distance) C4'-P energy: -9.558 bonds (distance) P-C4' energy: -13.254 flat angles C4'-P-C4' energy: -11.368 flat angles P-C4'-P energy: -7.384 tors. eta vs tors. theta energy: -12.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -74.059026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.059026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.059026 (E_RNA) where: Base-Base interactions energy: -32.994 where: short stacking energy: -27.256 Base-Backbone interact. energy: -0.077 local terms energy: -40.987675 where: bonds (distance) C4'-P energy: -6.548 bonds (distance) P-C4' energy: -14.871 flat angles C4'-P-C4' energy: -10.538 flat angles P-C4'-P energy: -6.804 tors. eta vs tors. theta energy: -2.227 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: 10, replica: 3 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -79.252191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.252191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.252191 (E_RNA) where: Base-Base interactions energy: -36.696 where: short stacking energy: -22.207 Base-Backbone interact. energy: -0.301 local terms energy: -42.254958 where: bonds (distance) C4'-P energy: -11.848 bonds (distance) P-C4' energy: -8.223 flat angles C4'-P-C4' energy: -11.036 flat angles P-C4'-P energy: -7.428 tors. eta vs tors. theta energy: -3.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -204.598626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.598626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.598626 (E_RNA) where: Base-Base interactions energy: -142.620 where: short stacking energy: -61.898 Base-Backbone interact. energy: -0.003 local terms energy: -61.975182 where: bonds (distance) C4'-P energy: -13.586 bonds (distance) P-C4' energy: -11.604 flat angles C4'-P-C4' energy: -9.716 flat angles P-C4'-P energy: -9.701 tors. eta vs tors. theta energy: -17.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -202.159117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.159117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.159117 (E_RNA) where: Base-Base interactions energy: -133.661 where: short stacking energy: -58.397 Base-Backbone interact. energy: -1.053 local terms energy: -67.444703 where: bonds (distance) C4'-P energy: -13.002 bonds (distance) P-C4' energy: -14.217 flat angles C4'-P-C4' energy: -13.197 flat angles P-C4'-P energy: -9.980 tors. eta vs tors. theta energy: -17.048 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: 3, replica: 4 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -192.372177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.372177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.372177 (E_RNA) where: Base-Base interactions energy: -129.480 where: short stacking energy: -57.029 Base-Backbone interact. energy: -0.477 local terms energy: -62.415264 where: bonds (distance) C4'-P energy: -13.264 bonds (distance) P-C4' energy: -13.569 flat angles C4'-P-C4' energy: -13.551 flat angles P-C4'-P energy: -7.403 tors. eta vs tors. theta energy: -14.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -187.658665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.658665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.658665 (E_RNA) where: Base-Base interactions energy: -122.768 where: short stacking energy: -48.631 Base-Backbone interact. energy: -0.323 local terms energy: -64.568398 where: bonds (distance) C4'-P energy: -12.555 bonds (distance) P-C4' energy: -15.792 flat angles C4'-P-C4' energy: -12.891 flat angles P-C4'-P energy: -8.752 tors. eta vs tors. theta energy: -14.580 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: 2 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -189.975797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.975797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.975797 (E_RNA) where: Base-Base interactions energy: -135.260 where: short stacking energy: -56.552 Base-Backbone interact. energy: -0.000 local terms energy: -54.715013 where: bonds (distance) C4'-P energy: -6.099 bonds (distance) P-C4' energy: -8.567 flat angles C4'-P-C4' energy: -13.382 flat angles P-C4'-P energy: -9.705 tors. eta vs tors. theta energy: -16.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -169.740725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.740725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.740725 (E_RNA) where: Base-Base interactions energy: -108.975 where: short stacking energy: -40.797 Base-Backbone interact. energy: -0.853 local terms energy: -59.912886 where: bonds (distance) C4'-P energy: -14.083 bonds (distance) P-C4' energy: -13.106 flat angles C4'-P-C4' energy: -12.134 flat angles P-C4'-P energy: -8.410 tors. eta vs tors. theta energy: -12.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -174.179569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.179569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.179569 (E_RNA) where: Base-Base interactions energy: -121.791 where: short stacking energy: -49.513 Base-Backbone interact. energy: -0.029 local terms energy: -52.359066 where: bonds (distance) C4'-P energy: -10.887 bonds (distance) P-C4' energy: -9.337 flat angles C4'-P-C4' energy: -11.076 flat angles P-C4'-P energy: -6.818 tors. eta vs tors. theta energy: -14.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -183.102196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.102196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.102196 (E_RNA) where: Base-Base interactions energy: -129.001 where: short stacking energy: -50.675 Base-Backbone interact. energy: -0.001 local terms energy: -54.099863 where: bonds (distance) C4'-P energy: -12.767 bonds (distance) P-C4' energy: -5.564 flat angles C4'-P-C4' energy: -11.933 flat angles P-C4'-P energy: -8.662 tors. eta vs tors. theta energy: -15.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -65.132755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.132755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.132755 (E_RNA) where: Base-Base interactions energy: -32.314 where: short stacking energy: -19.370 Base-Backbone interact. energy: 0.977 local terms energy: -33.795406 where: bonds (distance) C4'-P energy: -8.729 bonds (distance) P-C4' energy: -10.939 flat angles C4'-P-C4' energy: -8.642 flat angles P-C4'-P energy: -4.069 tors. eta vs tors. theta energy: -1.417 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: 10, replica: 3 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -70.562410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.562410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.562410 (E_RNA) where: Base-Base interactions energy: -35.655 where: short stacking energy: -19.081 Base-Backbone interact. energy: -0.368 local terms energy: -34.539376 where: bonds (distance) C4'-P energy: -7.860 bonds (distance) P-C4' energy: -10.137 flat angles C4'-P-C4' energy: -12.177 flat angles P-C4'-P energy: -3.380 tors. eta vs tors. theta energy: -0.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -203.360763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.360763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.360763 (E_RNA) where: Base-Base interactions energy: -137.785 where: short stacking energy: -57.467 Base-Backbone interact. energy: -0.003 local terms energy: -65.573325 where: bonds (distance) C4'-P energy: -12.452 bonds (distance) P-C4' energy: -12.215 flat angles C4'-P-C4' energy: -14.524 flat angles P-C4'-P energy: -10.592 tors. eta vs tors. theta energy: -15.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -199.213947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.213947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.213947 (E_RNA) where: Base-Base interactions energy: -136.387 where: short stacking energy: -58.076 Base-Backbone interact. energy: -0.067 local terms energy: -62.760187 where: bonds (distance) C4'-P energy: -12.278 bonds (distance) P-C4' energy: -13.702 flat angles C4'-P-C4' energy: -13.584 flat angles P-C4'-P energy: -6.265 tors. eta vs tors. theta energy: -16.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -198.082099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.082099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.082099 (E_RNA) where: Base-Base interactions energy: -139.975 where: short stacking energy: -59.840 Base-Backbone interact. energy: -0.002 local terms energy: -58.105032 where: bonds (distance) C4'-P energy: -9.864 bonds (distance) P-C4' energy: -11.138 flat angles C4'-P-C4' energy: -13.164 flat angles P-C4'-P energy: -9.755 tors. eta vs tors. theta energy: -14.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -194.189447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.189447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.189447 (E_RNA) where: Base-Base interactions energy: -134.342 where: short stacking energy: -57.103 Base-Backbone interact. energy: -0.001 local terms energy: -59.846783 where: bonds (distance) C4'-P energy: -11.826 bonds (distance) P-C4' energy: -13.014 flat angles C4'-P-C4' energy: -11.549 flat angles P-C4'-P energy: -7.068 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: 5, replica: 9 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -193.718906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.718906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.718906 (E_RNA) where: Base-Base interactions energy: -135.216 where: short stacking energy: -57.437 Base-Backbone interact. energy: -0.075 local terms energy: -58.427651 where: bonds (distance) C4'-P energy: -8.168 bonds (distance) P-C4' energy: -14.181 flat angles C4'-P-C4' energy: -12.988 flat angles P-C4'-P energy: -6.091 tors. eta vs tors. theta energy: -17.000 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: 10 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -177.849476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.849476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.849476 (E_RNA) where: Base-Base interactions energy: -118.713 where: short stacking energy: -49.227 Base-Backbone interact. energy: -0.007 local terms energy: -59.129060 where: bonds (distance) C4'-P energy: -11.057 bonds (distance) P-C4' energy: -11.315 flat angles C4'-P-C4' energy: -11.926 flat angles P-C4'-P energy: -9.626 tors. eta vs tors. theta energy: -15.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -175.253043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.253043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.253043 (E_RNA) where: Base-Base interactions energy: -124.023 where: short stacking energy: -49.196 Base-Backbone interact. energy: -0.091 local terms energy: -51.138502 where: bonds (distance) C4'-P energy: -10.217 bonds (distance) P-C4' energy: -4.644 flat angles C4'-P-C4' energy: -12.608 flat angles P-C4'-P energy: -7.683 tors. eta vs tors. theta energy: -15.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -182.250424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.250424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.250424 (E_RNA) where: Base-Base interactions energy: -127.547 where: short stacking energy: -55.714 Base-Backbone interact. energy: -0.017 local terms energy: -54.685589 where: bonds (distance) C4'-P energy: -12.299 bonds (distance) P-C4' energy: -6.332 flat angles C4'-P-C4' energy: -11.404 flat angles P-C4'-P energy: -12.233 tors. eta vs tors. theta energy: -12.418 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: 8 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -65.956728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.956728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.956728 (E_RNA) where: Base-Base interactions energy: -21.491 where: short stacking energy: -21.491 Base-Backbone interact. energy: -0.138 local terms energy: -44.327358 where: bonds (distance) C4'-P energy: -13.392 bonds (distance) P-C4' energy: -11.483 flat angles C4'-P-C4' energy: -9.276 flat angles P-C4'-P energy: -8.088 tors. eta vs tors. theta energy: -2.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -63.041456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.041456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.041456 (E_RNA) where: Base-Base interactions energy: -27.715 where: short stacking energy: -19.125 Base-Backbone interact. energy: -0.088 local terms energy: -35.238961 where: bonds (distance) C4'-P energy: -10.591 bonds (distance) P-C4' energy: -2.266 flat angles C4'-P-C4' energy: -10.827 flat angles P-C4'-P energy: -9.122 tors. eta vs tors. theta energy: -2.433 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: 4 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -204.160930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.160930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.160930 (E_RNA) where: Base-Base interactions energy: -139.252 where: short stacking energy: -60.082 Base-Backbone interact. energy: -0.043 local terms energy: -64.866080 where: bonds (distance) C4'-P energy: -14.356 bonds (distance) P-C4' energy: -13.039 flat angles C4'-P-C4' energy: -10.791 flat angles P-C4'-P energy: -11.208 tors. eta vs tors. theta energy: -15.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -201.159403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.159403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.159403 (E_RNA) where: Base-Base interactions energy: -134.097 where: short stacking energy: -57.712 Base-Backbone interact. energy: -0.844 local terms energy: -66.218651 where: bonds (distance) C4'-P energy: -12.915 bonds (distance) P-C4' energy: -13.665 flat angles C4'-P-C4' energy: -13.307 flat angles P-C4'-P energy: -10.332 tors. eta vs tors. theta energy: -16.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -186.596880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.596880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.596880 (E_RNA) where: Base-Base interactions energy: -123.864 where: short stacking energy: -58.342 Base-Backbone interact. energy: -0.141 local terms energy: -62.592266 where: bonds (distance) C4'-P energy: -12.601 bonds (distance) P-C4' energy: -13.772 flat angles C4'-P-C4' energy: -11.701 flat angles P-C4'-P energy: -9.883 tors. eta vs tors. theta energy: -14.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -197.339017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.339017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.339017 (E_RNA) where: Base-Base interactions energy: -129.630 where: short stacking energy: -53.035 Base-Backbone interact. energy: -0.000 local terms energy: -67.708978 where: bonds (distance) C4'-P energy: -13.694 bonds (distance) P-C4' energy: -14.811 flat angles C4'-P-C4' energy: -13.620 flat angles P-C4'-P energy: -8.012 tors. eta vs tors. theta energy: -17.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -194.252506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.252506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.252506 (E_RNA) where: Base-Base interactions energy: -139.233 where: short stacking energy: -57.168 Base-Backbone interact. energy: -0.002 local terms energy: -55.017163 where: bonds (distance) C4'-P energy: -11.039 bonds (distance) P-C4' energy: -7.366 flat angles C4'-P-C4' energy: -11.763 flat angles P-C4'-P energy: -10.244 tors. eta vs tors. theta energy: -14.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -187.767255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.767255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.767255 (E_RNA) where: Base-Base interactions energy: -125.754 where: short stacking energy: -52.178 Base-Backbone interact. energy: 0.515 local terms energy: -62.527892 where: bonds (distance) C4'-P energy: -10.629 bonds (distance) P-C4' energy: -14.818 flat angles C4'-P-C4' energy: -14.652 flat angles P-C4'-P energy: -8.159 tors. eta vs tors. theta energy: -14.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -185.432607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.432607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.432607 (E_RNA) where: Base-Base interactions energy: -128.853 where: short stacking energy: -50.888 Base-Backbone interact. energy: -0.001 local terms energy: -56.578178 where: bonds (distance) C4'-P energy: -11.783 bonds (distance) P-C4' energy: -13.575 flat angles C4'-P-C4' energy: -10.946 flat angles P-C4'-P energy: -4.276 tors. eta vs tors. theta energy: -15.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -172.632575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.632575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.632575 (E_RNA) where: Base-Base interactions energy: -121.986 where: short stacking energy: -48.769 Base-Backbone interact. energy: -0.032 local terms energy: -50.614436 where: bonds (distance) C4'-P energy: -10.104 bonds (distance) P-C4' energy: -9.691 flat angles C4'-P-C4' energy: -10.544 flat angles P-C4'-P energy: -6.333 tors. eta vs tors. theta energy: -13.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -66.984018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.984018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.984018 (E_RNA) where: Base-Base interactions energy: -25.485 where: short stacking energy: -23.868 Base-Backbone interact. energy: -0.236 local terms energy: -41.262981 where: bonds (distance) C4'-P energy: -10.468 bonds (distance) P-C4' energy: -12.641 flat angles C4'-P-C4' energy: -10.366 flat angles P-C4'-P energy: -6.292 tors. eta vs tors. theta energy: -1.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -64.546011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.546011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.546011 (E_RNA) where: Base-Base interactions energy: -19.492 where: short stacking energy: -15.042 Base-Backbone interact. energy: -0.349 local terms energy: -44.705155 where: bonds (distance) C4'-P energy: -13.089 bonds (distance) P-C4' energy: -14.410 flat angles C4'-P-C4' energy: -9.645 flat angles P-C4'-P energy: -9.196 tors. eta vs tors. theta energy: 1.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -205.052354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.052354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.052354 (E_RNA) where: Base-Base interactions energy: -136.510 where: short stacking energy: -57.330 Base-Backbone interact. energy: -0.002 local terms energy: -68.540624 where: bonds (distance) C4'-P energy: -13.052 bonds (distance) P-C4' energy: -15.538 flat angles C4'-P-C4' energy: -11.830 flat angles P-C4'-P energy: -12.256 tors. eta vs tors. theta energy: -15.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -196.545469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.545469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.545469 (E_RNA) where: Base-Base interactions energy: -131.404 where: short stacking energy: -51.975 Base-Backbone interact. energy: -0.008 local terms energy: -65.133950 where: bonds (distance) C4'-P energy: -14.075 bonds (distance) P-C4' energy: -14.917 flat angles C4'-P-C4' energy: -13.057 flat angles P-C4'-P energy: -8.819 tors. eta vs tors. theta energy: -14.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -194.188281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.188281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.188281 (E_RNA) where: Base-Base interactions energy: -133.165 where: short stacking energy: -55.567 Base-Backbone interact. energy: -0.013 local terms energy: -61.010752 where: bonds (distance) C4'-P energy: -11.690 bonds (distance) P-C4' energy: -11.478 flat angles C4'-P-C4' energy: -11.605 flat angles P-C4'-P energy: -11.311 tors. eta vs tors. theta energy: -14.927 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: 4, replica: 2 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -188.813575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.813575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.813575 (E_RNA) where: Base-Base interactions energy: -133.985 where: short stacking energy: -56.762 Base-Backbone interact. energy: -0.007 local terms energy: -54.822318 where: bonds (distance) C4'-P energy: -11.607 bonds (distance) P-C4' energy: -13.507 flat angles C4'-P-C4' energy: -10.457 flat angles P-C4'-P energy: -8.652 tors. eta vs tors. theta energy: -10.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -174.620755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.620755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.620755 (E_RNA) where: Base-Base interactions energy: -125.738 where: short stacking energy: -53.183 Base-Backbone interact. energy: -0.708 local terms energy: -48.175347 where: bonds (distance) C4'-P energy: -8.992 bonds (distance) P-C4' energy: -10.153 flat angles C4'-P-C4' energy: -9.333 flat angles P-C4'-P energy: -5.221 tors. eta vs tors. theta energy: -14.476 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: 6, replica: 7 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -178.345465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.345465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.345465 (E_RNA) where: Base-Base interactions energy: -117.879 where: short stacking energy: -50.026 Base-Backbone interact. energy: -0.117 local terms energy: -60.349303 where: bonds (distance) C4'-P energy: -14.092 bonds (distance) P-C4' energy: -10.629 flat angles C4'-P-C4' energy: -13.627 flat angles P-C4'-P energy: -8.242 tors. eta vs tors. theta energy: -13.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -176.528099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.528099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.528099 (E_RNA) where: Base-Base interactions energy: -121.989 where: short stacking energy: -48.569 Base-Backbone interact. energy: -0.227 local terms energy: -54.311546 where: bonds (distance) C4'-P energy: -11.778 bonds (distance) P-C4' energy: -12.634 flat angles C4'-P-C4' energy: -13.991 flat angles P-C4'-P energy: -5.425 tors. eta vs tors. theta energy: -10.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -186.857431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.857431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.857431 (E_RNA) where: Base-Base interactions energy: -129.189 where: short stacking energy: -53.210 Base-Backbone interact. energy: -0.018 local terms energy: -57.650078 where: bonds (distance) C4'-P energy: -10.345 bonds (distance) P-C4' energy: -12.899 flat angles C4'-P-C4' energy: -12.667 flat angles P-C4'-P energy: -8.820 tors. eta vs tors. theta energy: -12.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -81.009036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.009036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.009036 (E_RNA) where: Base-Base interactions energy: -36.290 where: short stacking energy: -36.290 Base-Backbone interact. energy: -0.011 local terms energy: -44.707232 where: bonds (distance) C4'-P energy: -7.818 bonds (distance) P-C4' energy: -11.287 flat angles C4'-P-C4' energy: -10.693 flat angles P-C4'-P energy: -2.780 tors. eta vs tors. theta energy: -12.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -68.543333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.543333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.543333 (E_RNA) where: Base-Base interactions energy: -32.143 where: short stacking energy: -30.985 Base-Backbone interact. energy: -0.035 local terms energy: -36.365988 where: bonds (distance) C4'-P energy: -11.012 bonds (distance) P-C4' energy: -6.960 flat angles C4'-P-C4' energy: -8.053 flat angles P-C4'-P energy: -2.992 tors. eta vs tors. theta energy: -7.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -204.549686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.549686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.549686 (E_RNA) where: Base-Base interactions energy: -137.994 where: short stacking energy: -60.921 Base-Backbone interact. energy: 0.854 local terms energy: -67.409624 where: bonds (distance) C4'-P energy: -10.837 bonds (distance) P-C4' energy: -13.519 flat angles C4'-P-C4' energy: -14.940 flat angles P-C4'-P energy: -10.590 tors. eta vs tors. theta energy: -17.524 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: 2, replica: 5 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -197.743700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.743700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.743700 (E_RNA) where: Base-Base interactions energy: -137.509 where: short stacking energy: -60.370 Base-Backbone interact. energy: -0.001 local terms energy: -60.233668 where: bonds (distance) C4'-P energy: -11.019 bonds (distance) P-C4' energy: -13.762 flat angles C4'-P-C4' energy: -11.754 flat angles P-C4'-P energy: -10.435 tors. eta vs tors. theta energy: -13.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -192.881722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.881722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.881722 (E_RNA) where: Base-Base interactions energy: -131.478 where: short stacking energy: -52.871 Base-Backbone interact. energy: -0.008 local terms energy: -61.395939 where: bonds (distance) C4'-P energy: -13.077 bonds (distance) P-C4' energy: -11.948 flat angles C4'-P-C4' energy: -14.301 flat angles P-C4'-P energy: -6.805 tors. eta vs tors. theta energy: -15.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -187.916758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.916758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.916758 (E_RNA) where: Base-Base interactions energy: -131.442 where: short stacking energy: -46.295 Base-Backbone interact. energy: -0.083 local terms energy: -56.392328 where: bonds (distance) C4'-P energy: -10.660 bonds (distance) P-C4' energy: -13.984 flat angles C4'-P-C4' energy: -12.236 flat angles P-C4'-P energy: -6.723 tors. eta vs tors. theta energy: -12.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -182.424452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.424452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.424452 (E_RNA) where: Base-Base interactions energy: -124.983 where: short stacking energy: -51.745 Base-Backbone interact. energy: -0.003 local terms energy: -57.438724 where: bonds (distance) C4'-P energy: -13.089 bonds (distance) P-C4' energy: -13.343 flat angles C4'-P-C4' energy: -9.129 flat angles P-C4'-P energy: -9.018 tors. eta vs tors. theta energy: -12.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -178.068094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.068094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.068094 (E_RNA) where: Base-Base interactions energy: -126.267 where: short stacking energy: -61.471 Base-Backbone interact. energy: -0.001 local terms energy: -51.800282 where: bonds (distance) C4'-P energy: -11.437 bonds (distance) P-C4' energy: -8.875 flat angles C4'-P-C4' energy: -9.934 flat angles P-C4'-P energy: -4.671 tors. eta vs tors. theta energy: -16.882 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: 9 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -184.106456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.106456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.106456 (E_RNA) where: Base-Base interactions energy: -128.184 where: short stacking energy: -49.760 Base-Backbone interact. energy: -0.018 local terms energy: -55.904216 where: bonds (distance) C4'-P energy: -10.303 bonds (distance) P-C4' energy: -11.060 flat angles C4'-P-C4' energy: -12.949 flat angles P-C4'-P energy: -7.831 tors. eta vs tors. theta energy: -13.761 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: 1 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -179.831504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.831504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.831504 (E_RNA) where: Base-Base interactions energy: -120.575 where: short stacking energy: -53.598 Base-Backbone interact. energy: -0.101 local terms energy: -59.154964 where: bonds (distance) C4'-P energy: -12.964 bonds (distance) P-C4' energy: -10.099 flat angles C4'-P-C4' energy: -11.836 flat angles P-C4'-P energy: -9.503 tors. eta vs tors. theta energy: -14.752 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: 8 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -68.192951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.192951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.192951 (E_RNA) where: Base-Base interactions energy: -24.510 where: short stacking energy: -24.510 Base-Backbone interact. energy: -0.336 local terms energy: -43.347332 where: bonds (distance) C4'-P energy: -9.471 bonds (distance) P-C4' energy: -9.425 flat angles C4'-P-C4' energy: -9.080 flat angles P-C4'-P energy: -11.573 tors. eta vs tors. theta energy: -3.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -68.989895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.989895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.989895 (E_RNA) where: Base-Base interactions energy: -27.114 where: short stacking energy: -27.114 Base-Backbone interact. energy: -0.122 local terms energy: -41.754006 where: bonds (distance) C4'-P energy: -12.977 bonds (distance) P-C4' energy: -10.153 flat angles C4'-P-C4' energy: -7.602 flat angles P-C4'-P energy: -9.792 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: 1, replica: 4 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -194.998783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.998783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.998783 (E_RNA) where: Base-Base interactions energy: -134.992 where: short stacking energy: -53.366 Base-Backbone interact. energy: -0.416 local terms energy: -59.590866 where: bonds (distance) C4'-P energy: -10.618 bonds (distance) P-C4' energy: -12.454 flat angles C4'-P-C4' energy: -13.316 flat angles P-C4'-P energy: -10.520 tors. eta vs tors. theta energy: -12.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -203.129175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.129175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.129175 (E_RNA) where: Base-Base interactions energy: -134.291 where: short stacking energy: -60.189 Base-Backbone interact. energy: -0.733 local terms energy: -68.105326 where: bonds (distance) C4'-P energy: -12.601 bonds (distance) P-C4' energy: -13.084 flat angles C4'-P-C4' energy: -13.876 flat angles P-C4'-P energy: -10.529 tors. eta vs tors. theta energy: -18.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -193.431455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.431455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.431455 (E_RNA) where: Base-Base interactions energy: -135.514 where: short stacking energy: -56.542 Base-Backbone interact. energy: -0.002 local terms energy: -57.914950 where: bonds (distance) C4'-P energy: -9.290 bonds (distance) P-C4' energy: -12.375 flat angles C4'-P-C4' energy: -11.365 flat angles P-C4'-P energy: -8.750 tors. eta vs tors. theta energy: -16.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -187.731326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.731326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.731326 (E_RNA) where: Base-Base interactions energy: -127.876 where: short stacking energy: -54.444 Base-Backbone interact. energy: -0.003 local terms energy: -59.852071 where: bonds (distance) C4'-P energy: -11.823 bonds (distance) P-C4' energy: -12.242 flat angles C4'-P-C4' energy: -12.574 flat angles P-C4'-P energy: -8.716 tors. eta vs tors. theta energy: -14.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -179.172132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.172132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.172132 (E_RNA) where: Base-Base interactions energy: -126.318 where: short stacking energy: -53.684 Base-Backbone interact. energy: -0.173 local terms energy: -52.680912 where: bonds (distance) C4'-P energy: -12.068 bonds (distance) P-C4' energy: -11.249 flat angles C4'-P-C4' energy: -9.338 flat angles P-C4'-P energy: -6.949 tors. eta vs tors. theta energy: -13.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -177.919371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.919371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.919371 (E_RNA) where: Base-Base interactions energy: -122.470 where: short stacking energy: -52.302 Base-Backbone interact. energy: -0.084 local terms energy: -55.365436 where: bonds (distance) C4'-P energy: -10.150 bonds (distance) P-C4' energy: -13.715 flat angles C4'-P-C4' energy: -9.125 flat angles P-C4'-P energy: -7.307 tors. eta vs tors. theta energy: -15.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -168.013247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.013247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.013247 (E_RNA) where: Base-Base interactions energy: -112.372 where: short stacking energy: -46.556 Base-Backbone interact. energy: -0.025 local terms energy: -55.616267 where: bonds (distance) C4'-P energy: -11.057 bonds (distance) P-C4' energy: -12.687 flat angles C4'-P-C4' energy: -11.821 flat angles P-C4'-P energy: -8.359 tors. eta vs tors. theta energy: -11.694 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: 1 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -180.691447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.691447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.691447 (E_RNA) where: Base-Base interactions energy: -125.514 where: short stacking energy: -53.108 Base-Backbone interact. energy: -0.001 local terms energy: -55.175961 where: bonds (distance) C4'-P energy: -7.327 bonds (distance) P-C4' energy: -11.018 flat angles C4'-P-C4' energy: -13.551 flat angles P-C4'-P energy: -9.111 tors. eta vs tors. theta energy: -14.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -65.369186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.369186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.369186 (E_RNA) where: Base-Base interactions energy: -20.669 where: short stacking energy: -21.342 Base-Backbone interact. energy: -0.185 local terms energy: -44.515101 where: bonds (distance) C4'-P energy: -9.673 bonds (distance) P-C4' energy: -12.408 flat angles C4'-P-C4' energy: -10.158 flat angles P-C4'-P energy: -8.399 tors. eta vs tors. theta energy: -3.876 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: 3 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -60.849630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.849630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.849630 (E_RNA) where: Base-Base interactions energy: -18.434 where: short stacking energy: -18.039 Base-Backbone interact. energy: -0.111 local terms energy: -42.304821 where: bonds (distance) C4'-P energy: -9.972 bonds (distance) P-C4' energy: -9.908 flat angles C4'-P-C4' energy: -10.235 flat angles P-C4'-P energy: -9.158 tors. eta vs tors. theta energy: -3.031 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: 2 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -206.145141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.145141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.145141 (E_RNA) where: Base-Base interactions energy: -139.959 where: short stacking energy: -62.541 Base-Backbone interact. energy: -0.001 local terms energy: -66.184853 where: bonds (distance) C4'-P energy: -12.304 bonds (distance) P-C4' energy: -12.102 flat angles C4'-P-C4' energy: -15.036 flat angles P-C4'-P energy: -11.995 tors. eta vs tors. theta energy: -14.748 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: 2, replica: 4 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -201.868348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.868348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.868348 (E_RNA) where: Base-Base interactions energy: -136.786 where: short stacking energy: -61.596 Base-Backbone interact. energy: -0.003 local terms energy: -65.080287 where: bonds (distance) C4'-P energy: -11.422 bonds (distance) P-C4' energy: -12.215 flat angles C4'-P-C4' energy: -13.331 flat angles P-C4'-P energy: -8.641 tors. eta vs tors. theta energy: -19.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -200.808751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.808751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.808751 (E_RNA) where: Base-Base interactions energy: -138.399 where: short stacking energy: -56.870 Base-Backbone interact. energy: -0.002 local terms energy: -62.407413 where: bonds (distance) C4'-P energy: -13.550 bonds (distance) P-C4' energy: -11.144 flat angles C4'-P-C4' energy: -13.562 flat angles P-C4'-P energy: -6.039 tors. eta vs tors. theta energy: -18.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -180.762635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.762635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.762635 (E_RNA) where: Base-Base interactions energy: -121.363 where: short stacking energy: -48.922 Base-Backbone interact. energy: -0.244 local terms energy: -59.155562 where: bonds (distance) C4'-P energy: -10.937 bonds (distance) P-C4' energy: -15.561 flat angles C4'-P-C4' energy: -10.392 flat angles P-C4'-P energy: -8.486 tors. eta vs tors. theta energy: -13.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -180.168860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.168860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.168860 (E_RNA) where: Base-Base interactions energy: -123.110 where: short stacking energy: -47.189 Base-Backbone interact. energy: -0.001 local terms energy: -57.057656 where: bonds (distance) C4'-P energy: -12.547 bonds (distance) P-C4' energy: -11.595 flat angles C4'-P-C4' energy: -12.482 flat angles P-C4'-P energy: -6.850 tors. eta vs tors. theta energy: -13.584 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: 6, replica: 7 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -182.364935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.364935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.364935 (E_RNA) where: Base-Base interactions energy: -122.398 where: short stacking energy: -53.089 Base-Backbone interact. energy: -0.181 local terms energy: -59.785463 where: bonds (distance) C4'-P energy: -10.857 bonds (distance) P-C4' energy: -12.536 flat angles C4'-P-C4' energy: -11.603 flat angles P-C4'-P energy: -7.275 tors. eta vs tors. theta energy: -17.514 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: 1 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -165.885872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.885872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.885872 (E_RNA) where: Base-Base interactions energy: -113.903 where: short stacking energy: -45.292 Base-Backbone interact. energy: -0.095 local terms energy: -51.887797 where: bonds (distance) C4'-P energy: -11.027 bonds (distance) P-C4' energy: -11.194 flat angles C4'-P-C4' energy: -11.039 flat angles P-C4'-P energy: -9.020 tors. eta vs tors. theta energy: -9.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -172.546475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.546475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.546475 (E_RNA) where: Base-Base interactions energy: -122.590 where: short stacking energy: -46.516 Base-Backbone interact. energy: -0.014 local terms energy: -49.942926 where: bonds (distance) C4'-P energy: -11.238 bonds (distance) P-C4' energy: -10.524 flat angles C4'-P-C4' energy: -10.862 flat angles P-C4'-P energy: -7.192 tors. eta vs tors. theta energy: -10.126 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: 9, replica: 3 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -60.678863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.678863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.678863 (E_RNA) where: Base-Base interactions energy: -21.230 where: short stacking energy: -21.230 Base-Backbone interact. energy: -0.097 local terms energy: -39.352449 where: bonds (distance) C4'-P energy: -8.943 bonds (distance) P-C4' energy: -12.436 flat angles C4'-P-C4' energy: -12.302 flat angles P-C4'-P energy: -7.838 tors. eta vs tors. theta energy: 2.166 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: 8 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -66.832140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.832140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.832140 (E_RNA) where: Base-Base interactions energy: -21.893 where: short stacking energy: -20.810 Base-Backbone interact. energy: -0.313 local terms energy: -44.626517 where: bonds (distance) C4'-P energy: -11.010 bonds (distance) P-C4' energy: -13.331 flat angles C4'-P-C4' energy: -12.732 flat angles P-C4'-P energy: -4.217 tors. eta vs tors. theta energy: -3.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -206.954073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.954073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.954073 (E_RNA) where: Base-Base interactions energy: -142.817 where: short stacking energy: -62.159 Base-Backbone interact. energy: -0.001 local terms energy: -64.135979 where: bonds (distance) C4'-P energy: -11.343 bonds (distance) P-C4' energy: -12.363 flat angles C4'-P-C4' energy: -14.890 flat angles P-C4'-P energy: -10.768 tors. eta vs tors. theta energy: -14.773 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: 2, replica: 5 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -199.766824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.766824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.766824 (E_RNA) where: Base-Base interactions energy: -137.110 where: short stacking energy: -59.266 Base-Backbone interact. energy: -0.518 local terms energy: -62.138126 where: bonds (distance) C4'-P energy: -11.869 bonds (distance) P-C4' energy: -11.961 flat angles C4'-P-C4' energy: -12.095 flat angles P-C4'-P energy: -7.951 tors. eta vs tors. theta energy: -18.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -202.199643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.199643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.199643 (E_RNA) where: Base-Base interactions energy: -138.821 where: short stacking energy: -62.113 Base-Backbone interact. energy: -0.008 local terms energy: -63.371338 where: bonds (distance) C4'-P energy: -11.802 bonds (distance) P-C4' energy: -10.448 flat angles C4'-P-C4' energy: -13.239 flat angles P-C4'-P energy: -10.872 tors. eta vs tors. theta energy: -17.010 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: 4, replica: 6 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -185.688392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.688392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.688392 (E_RNA) where: Base-Base interactions energy: -125.422 where: short stacking energy: -50.071 Base-Backbone interact. energy: -0.026 local terms energy: -60.241135 where: bonds (distance) C4'-P energy: -10.568 bonds (distance) P-C4' energy: -13.524 flat angles C4'-P-C4' energy: -14.382 flat angles P-C4'-P energy: -7.764 tors. eta vs tors. theta energy: -14.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -189.512137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.512137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.512137 (E_RNA) where: Base-Base interactions energy: -131.091 where: short stacking energy: -52.817 Base-Backbone interact. energy: -0.049 local terms energy: -58.371790 where: bonds (distance) C4'-P energy: -12.129 bonds (distance) P-C4' energy: -12.934 flat angles C4'-P-C4' energy: -11.710 flat angles P-C4'-P energy: -6.068 tors. eta vs tors. theta energy: -15.531 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: 1 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -186.813089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.813089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.813089 (E_RNA) where: Base-Base interactions energy: -136.616 where: short stacking energy: -55.358 Base-Backbone interact. energy: -0.011 local terms energy: -50.186743 where: bonds (distance) C4'-P energy: -10.799 bonds (distance) P-C4' energy: -10.456 flat angles C4'-P-C4' energy: -10.171 flat angles P-C4'-P energy: -3.479 tors. eta vs tors. theta energy: -15.282 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: 7 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -168.285346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.285346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.285346 (E_RNA) where: Base-Base interactions energy: -117.733 where: short stacking energy: -51.645 Base-Backbone interact. energy: -0.043 local terms energy: -50.510138 where: bonds (distance) C4'-P energy: -7.026 bonds (distance) P-C4' energy: -11.119 flat angles C4'-P-C4' energy: -14.867 flat angles P-C4'-P energy: -5.934 tors. eta vs tors. theta energy: -11.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -168.670254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.670254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.670254 (E_RNA) where: Base-Base interactions energy: -110.511 where: short stacking energy: -46.214 Base-Backbone interact. energy: -0.052 local terms energy: -58.106884 where: bonds (distance) C4'-P energy: -10.425 bonds (distance) P-C4' energy: -13.410 flat angles C4'-P-C4' energy: -10.237 flat angles P-C4'-P energy: -6.815 tors. eta vs tors. theta energy: -17.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -64.344540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.344540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.344540 (E_RNA) where: Base-Base interactions energy: -24.615 where: short stacking energy: -23.264 Base-Backbone interact. energy: -0.037 local terms energy: -39.693122 where: bonds (distance) C4'-P energy: -7.637 bonds (distance) P-C4' energy: -9.765 flat angles C4'-P-C4' energy: -12.720 flat angles P-C4'-P energy: -4.184 tors. eta vs tors. theta energy: -5.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -58.668612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.668612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.668612 (E_RNA) where: Base-Base interactions energy: -16.216 where: short stacking energy: -14.536 Base-Backbone interact. energy: -0.082 local terms energy: -42.370212 where: bonds (distance) C4'-P energy: -6.818 bonds (distance) P-C4' energy: -11.517 flat angles C4'-P-C4' energy: -10.883 flat angles P-C4'-P energy: -9.870 tors. eta vs tors. theta energy: -3.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -199.945231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.945231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.945231 (E_RNA) where: Base-Base interactions energy: -136.842 where: short stacking energy: -57.379 Base-Backbone interact. energy: -0.002 local terms energy: -63.101754 where: bonds (distance) C4'-P energy: -11.615 bonds (distance) P-C4' energy: -11.635 flat angles C4'-P-C4' energy: -13.778 flat angles P-C4'-P energy: -10.077 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: 2, replica: 5 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -198.155402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.155402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.155402 (E_RNA) where: Base-Base interactions energy: -132.930 where: short stacking energy: -55.249 Base-Backbone interact. energy: -0.448 local terms energy: -64.777007 where: bonds (distance) C4'-P energy: -14.679 bonds (distance) P-C4' energy: -11.818 flat angles C4'-P-C4' energy: -14.596 flat angles P-C4'-P energy: -8.183 tors. eta vs tors. theta energy: -15.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -203.275294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.275294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.275294 (E_RNA) where: Base-Base interactions energy: -138.165 where: short stacking energy: -57.733 Base-Backbone interact. energy: 0.088 local terms energy: -65.198373 where: bonds (distance) C4'-P energy: -13.826 bonds (distance) P-C4' energy: -12.666 flat angles C4'-P-C4' energy: -14.084 flat angles P-C4'-P energy: -9.000 tors. eta vs tors. theta energy: -15.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -197.269288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.269288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.269288 (E_RNA) where: Base-Base interactions energy: -137.687 where: short stacking energy: -58.757 Base-Backbone interact. energy: -0.000 local terms energy: -59.581981 where: bonds (distance) C4'-P energy: -9.786 bonds (distance) P-C4' energy: -12.447 flat angles C4'-P-C4' energy: -13.388 flat angles P-C4'-P energy: -7.340 tors. eta vs tors. theta energy: -16.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -195.980112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.980112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.980112 (E_RNA) where: Base-Base interactions energy: -135.852 where: short stacking energy: -57.507 Base-Backbone interact. energy: -0.061 local terms energy: -60.067072 where: bonds (distance) C4'-P energy: -12.103 bonds (distance) P-C4' energy: -11.821 flat angles C4'-P-C4' energy: -13.956 flat angles P-C4'-P energy: -6.013 tors. eta vs tors. theta energy: -16.173 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: 9 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -186.031406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.031406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.031406 (E_RNA) where: Base-Base interactions energy: -131.188 where: short stacking energy: -52.611 Base-Backbone interact. energy: -0.043 local terms energy: -54.800721 where: bonds (distance) C4'-P energy: -10.208 bonds (distance) P-C4' energy: -8.241 flat angles C4'-P-C4' energy: -13.336 flat angles P-C4'-P energy: -7.265 tors. eta vs tors. theta energy: -15.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -180.400599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.400599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.400599 (E_RNA) where: Base-Base interactions energy: -120.043 where: short stacking energy: -55.770 Base-Backbone interact. energy: -0.006 local terms energy: -60.352027 where: bonds (distance) C4'-P energy: -13.193 bonds (distance) P-C4' energy: -10.030 flat angles C4'-P-C4' energy: -14.144 flat angles P-C4'-P energy: -8.359 tors. eta vs tors. theta energy: -14.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -163.947600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.947600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.947600 (E_RNA) where: Base-Base interactions energy: -111.713 where: short stacking energy: -48.357 Base-Backbone interact. energy: 0.024 local terms energy: -52.257774 where: bonds (distance) C4'-P energy: -10.932 bonds (distance) P-C4' energy: -10.916 flat angles C4'-P-C4' energy: -12.930 flat angles P-C4'-P energy: -7.329 tors. eta vs tors. theta energy: -10.151 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: 8 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -80.874960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.874960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.874960 (E_RNA) where: Base-Base interactions energy: -28.353 where: short stacking energy: -24.767 Base-Backbone interact. energy: -0.177 local terms energy: -52.345090 where: bonds (distance) C4'-P energy: -14.108 bonds (distance) P-C4' energy: -14.423 flat angles C4'-P-C4' energy: -14.257 flat angles P-C4'-P energy: -7.221 tors. eta vs tors. theta energy: -2.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -74.556852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.556852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.556852 (E_RNA) where: Base-Base interactions energy: -33.316 where: short stacking energy: -29.354 Base-Backbone interact. energy: -0.072 local terms energy: -41.168877 where: bonds (distance) C4'-P energy: -8.025 bonds (distance) P-C4' energy: -13.380 flat angles C4'-P-C4' energy: -10.634 flat angles P-C4'-P energy: -4.142 tors. eta vs tors. theta energy: -4.987 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: 2 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -206.920690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.920690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.920690 (E_RNA) where: Base-Base interactions energy: -140.642 where: short stacking energy: -59.451 Base-Backbone interact. energy: -0.364 local terms energy: -65.914481 where: bonds (distance) C4'-P energy: -13.682 bonds (distance) P-C4' energy: -14.181 flat angles C4'-P-C4' energy: -11.066 flat angles P-C4'-P energy: -8.751 tors. eta vs tors. theta energy: -18.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -198.456063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.456063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.456063 (E_RNA) where: Base-Base interactions energy: -137.285 where: short stacking energy: -58.119 Base-Backbone interact. energy: -0.125 local terms energy: -61.046025 where: bonds (distance) C4'-P energy: -11.853 bonds (distance) P-C4' energy: -10.831 flat angles C4'-P-C4' energy: -11.807 flat angles P-C4'-P energy: -10.118 tors. eta vs tors. theta energy: -16.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -192.416305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.416305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.416305 (E_RNA) where: Base-Base interactions energy: -132.676 where: short stacking energy: -58.375 Base-Backbone interact. energy: -0.003 local terms energy: -59.736981 where: bonds (distance) C4'-P energy: -8.673 bonds (distance) P-C4' energy: -12.094 flat angles C4'-P-C4' energy: -12.313 flat angles P-C4'-P energy: -10.140 tors. eta vs tors. theta energy: -16.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -182.063276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.063276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.063276 (E_RNA) where: Base-Base interactions energy: -125.921 where: short stacking energy: -48.719 Base-Backbone interact. energy: -0.301 local terms energy: -55.840998 where: bonds (distance) C4'-P energy: -10.891 bonds (distance) P-C4' energy: -12.662 flat angles C4'-P-C4' energy: -13.230 flat angles P-C4'-P energy: -6.295 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: 5, replica: 6 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -188.029266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.029266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.029266 (E_RNA) where: Base-Base interactions energy: -129.100 where: short stacking energy: -52.297 Base-Backbone interact. energy: -0.002 local terms energy: -58.927856 where: bonds (distance) C4'-P energy: -13.168 bonds (distance) P-C4' energy: -9.846 flat angles C4'-P-C4' energy: -12.106 flat angles P-C4'-P energy: -7.937 tors. eta vs tors. theta energy: -15.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -186.657750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.657750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.657750 (E_RNA) where: Base-Base interactions energy: -128.226 where: short stacking energy: -51.732 Base-Backbone interact. energy: -0.014 local terms energy: -58.417377 where: bonds (distance) C4'-P energy: -10.058 bonds (distance) P-C4' energy: -10.711 flat angles C4'-P-C4' energy: -15.142 flat angles P-C4'-P energy: -8.114 tors. eta vs tors. theta energy: -14.392 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: 177 Temperature: 1.200000 Total energy: -179.057879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.057879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.057879 (E_RNA) where: Base-Base interactions energy: -124.166 where: short stacking energy: -49.837 Base-Backbone interact. energy: -0.048 local terms energy: -54.844635 where: bonds (distance) C4'-P energy: -13.212 bonds (distance) P-C4' energy: -9.911 flat angles C4'-P-C4' energy: -9.713 flat angles P-C4'-P energy: -8.107 tors. eta vs tors. theta energy: -13.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -161.171961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.171961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.171961 (E_RNA) where: Base-Base interactions energy: -109.301 where: short stacking energy: -44.281 Base-Backbone interact. energy: -0.158 local terms energy: -51.712824 where: bonds (distance) C4'-P energy: -12.030 bonds (distance) P-C4' energy: -11.193 flat angles C4'-P-C4' energy: -11.090 flat angles P-C4'-P energy: -4.594 tors. eta vs tors. theta energy: -12.805 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: 8 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -61.185957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.185957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.185957 (E_RNA) where: Base-Base interactions energy: -19.128 where: short stacking energy: -19.128 Base-Backbone interact. energy: -0.178 local terms energy: -41.879689 where: bonds (distance) C4'-P energy: -10.169 bonds (distance) P-C4' energy: -12.479 flat angles C4'-P-C4' energy: -9.637 flat angles P-C4'-P energy: -9.406 tors. eta vs tors. theta energy: -0.188 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: 10, replica: 3 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -70.039469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.039469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.039469 (E_RNA) where: Base-Base interactions energy: -28.670 where: short stacking energy: -28.670 Base-Backbone interact. energy: -0.004 local terms energy: -41.365734 where: bonds (distance) C4'-P energy: -12.618 bonds (distance) P-C4' energy: -12.877 flat angles C4'-P-C4' energy: -10.134 flat angles P-C4'-P energy: -3.525 tors. eta vs tors. theta energy: -2.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -205.647800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.647800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.647800 (E_RNA) where: Base-Base interactions energy: -141.317 where: short stacking energy: -57.936 Base-Backbone interact. energy: -0.095 local terms energy: -64.235461 where: bonds (distance) C4'-P energy: -10.382 bonds (distance) P-C4' energy: -12.291 flat angles C4'-P-C4' energy: -15.419 flat angles P-C4'-P energy: -8.562 tors. eta vs tors. theta energy: -17.581 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: 2 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -194.497167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.497167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.497167 (E_RNA) where: Base-Base interactions energy: -131.525 where: short stacking energy: -54.229 Base-Backbone interact. energy: -0.104 local terms energy: -62.868509 where: bonds (distance) C4'-P energy: -11.831 bonds (distance) P-C4' energy: -14.280 flat angles C4'-P-C4' energy: -12.364 flat angles P-C4'-P energy: -9.131 tors. eta vs tors. theta energy: -15.262 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: 178 Temperature: 1.000000 Total energy: -194.823701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.823701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.823701 (E_RNA) where: Base-Base interactions energy: -135.569 where: short stacking energy: -55.531 Base-Backbone interact. energy: -1.054 local terms energy: -58.200127 where: bonds (distance) C4'-P energy: -9.973 bonds (distance) P-C4' energy: -14.331 flat angles C4'-P-C4' energy: -11.997 flat angles P-C4'-P energy: -7.177 tors. eta vs tors. theta energy: -14.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -198.320513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.320513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.320513 (E_RNA) where: Base-Base interactions energy: -136.757 where: short stacking energy: -52.406 Base-Backbone interact. energy: -0.087 local terms energy: -61.475985 where: bonds (distance) C4'-P energy: -13.310 bonds (distance) P-C4' energy: -12.259 flat angles C4'-P-C4' energy: -12.113 flat angles P-C4'-P energy: -8.778 tors. eta vs tors. theta energy: -15.016 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: 10 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -184.294775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.294775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.294775 (E_RNA) where: Base-Base interactions energy: -124.800 where: short stacking energy: -53.359 Base-Backbone interact. energy: -0.004 local terms energy: -59.491092 where: bonds (distance) C4'-P energy: -9.170 bonds (distance) P-C4' energy: -10.908 flat angles C4'-P-C4' energy: -13.083 flat angles P-C4'-P energy: -9.761 tors. eta vs tors. theta energy: -16.569 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: 178 Temperature: 1.150000 Total energy: -172.603587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.603587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.603587 (E_RNA) where: Base-Base interactions energy: -118.816 where: short stacking energy: -55.463 Base-Backbone interact. energy: -0.008 local terms energy: -53.779645 where: bonds (distance) C4'-P energy: -9.600 bonds (distance) P-C4' energy: -11.462 flat angles C4'-P-C4' energy: -13.663 flat angles P-C4'-P energy: -6.410 tors. eta vs tors. theta energy: -12.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -178.239683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.239683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.239683 (E_RNA) where: Base-Base interactions energy: -127.035 where: short stacking energy: -47.927 Base-Backbone interact. energy: -0.005 local terms energy: -51.199628 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -11.070 flat angles C4'-P-C4' energy: -12.672 flat angles P-C4'-P energy: -6.455 tors. eta vs tors. theta energy: -12.501 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: 9 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -174.828817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.828817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.828817 (E_RNA) where: Base-Base interactions energy: -119.907 where: short stacking energy: -50.664 Base-Backbone interact. energy: -0.096 local terms energy: -54.826129 where: bonds (distance) C4'-P energy: -11.864 bonds (distance) P-C4' energy: -11.711 flat angles C4'-P-C4' energy: -12.673 flat angles P-C4'-P energy: -9.033 tors. eta vs tors. theta energy: -9.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -69.928591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.928591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.928591 (E_RNA) where: Base-Base interactions energy: -25.388 where: short stacking energy: -19.866 Base-Backbone interact. energy: -0.361 local terms energy: -44.179928 where: bonds (distance) C4'-P energy: -11.516 bonds (distance) P-C4' energy: -13.095 flat angles C4'-P-C4' energy: -10.886 flat angles P-C4'-P energy: -6.904 tors. eta vs tors. theta energy: -1.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -62.576314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.576314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.576314 (E_RNA) where: Base-Base interactions energy: -16.413 where: short stacking energy: -16.413 Base-Backbone interact. energy: -0.177 local terms energy: -45.985673 where: bonds (distance) C4'-P energy: -11.248 bonds (distance) P-C4' energy: -10.662 flat angles C4'-P-C4' energy: -13.020 flat angles P-C4'-P energy: -7.271 tors. eta vs tors. theta energy: -3.784 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: 4 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -203.165556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.165556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.165556 (E_RNA) where: Base-Base interactions energy: -140.263 where: short stacking energy: -59.187 Base-Backbone interact. energy: -0.107 local terms energy: -62.795771 where: bonds (distance) C4'-P energy: -13.111 bonds (distance) P-C4' energy: -12.198 flat angles C4'-P-C4' energy: -11.866 flat angles P-C4'-P energy: -8.280 tors. eta vs tors. theta energy: -17.341 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: 1 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -205.553305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.553305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.553305 (E_RNA) where: Base-Base interactions energy: -139.405 where: short stacking energy: -59.386 Base-Backbone interact. energy: -0.000 local terms energy: -66.148331 where: bonds (distance) C4'-P energy: -11.970 bonds (distance) P-C4' energy: -12.743 flat angles C4'-P-C4' energy: -14.274 flat angles P-C4'-P energy: -10.855 tors. eta vs tors. theta energy: -16.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -195.379854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.379854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.379854 (E_RNA) where: Base-Base interactions energy: -133.409 where: short stacking energy: -58.502 Base-Backbone interact. energy: -0.006 local terms energy: -61.964730 where: bonds (distance) C4'-P energy: -12.262 bonds (distance) P-C4' energy: -13.356 flat angles C4'-P-C4' energy: -14.998 flat angles P-C4'-P energy: -5.606 tors. eta vs tors. theta energy: -15.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -189.970923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.970923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.970923 (E_RNA) where: Base-Base interactions energy: -126.544 where: short stacking energy: -56.068 Base-Backbone interact. energy: -1.017 local terms energy: -62.410446 where: bonds (distance) C4'-P energy: -14.413 bonds (distance) P-C4' energy: -12.722 flat angles C4'-P-C4' energy: -12.323 flat angles P-C4'-P energy: -5.212 tors. eta vs tors. theta energy: -17.740 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: 5 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -190.618558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.618558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.618558 (E_RNA) where: Base-Base interactions energy: -134.946 where: short stacking energy: -60.845 Base-Backbone interact. energy: -0.035 local terms energy: -55.637205 where: bonds (distance) C4'-P energy: -12.866 bonds (distance) P-C4' energy: -11.932 flat angles C4'-P-C4' energy: -10.997 flat angles P-C4'-P energy: -5.070 tors. eta vs tors. theta energy: -14.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -166.444727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.444727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.444727 (E_RNA) where: Base-Base interactions energy: -106.029 where: short stacking energy: -47.101 Base-Backbone interact. energy: -0.059 local terms energy: -60.356631 where: bonds (distance) C4'-P energy: -11.868 bonds (distance) P-C4' energy: -14.195 flat angles C4'-P-C4' energy: -13.171 flat angles P-C4'-P energy: -6.518 tors. eta vs tors. theta energy: -14.605 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: 179 Temperature: 1.200000 Total energy: -177.310384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.310384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.310384 (E_RNA) where: Base-Base interactions energy: -124.993 where: short stacking energy: -53.018 Base-Backbone interact. energy: -0.006 local terms energy: -52.311228 where: bonds (distance) C4'-P energy: -12.788 bonds (distance) P-C4' energy: -11.072 flat angles C4'-P-C4' energy: -10.385 flat angles P-C4'-P energy: -4.433 tors. eta vs tors. theta energy: -13.633 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: 8, replica: 9 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -170.584334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.584334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.584334 (E_RNA) where: Base-Base interactions energy: -121.881 where: short stacking energy: -57.526 Base-Backbone interact. energy: -0.006 local terms energy: -48.697480 where: bonds (distance) C4'-P energy: -9.199 bonds (distance) P-C4' energy: -7.850 flat angles C4'-P-C4' energy: -12.934 flat angles P-C4'-P energy: -5.744 tors. eta vs tors. theta energy: -12.971 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: 3 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -81.888272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.888272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.888272 (E_RNA) where: Base-Base interactions energy: -33.028 where: short stacking energy: -25.377 Base-Backbone interact. energy: -0.016 local terms energy: -48.844135 where: bonds (distance) C4'-P energy: -9.988 bonds (distance) P-C4' energy: -9.808 flat angles C4'-P-C4' energy: -13.972 flat angles P-C4'-P energy: -6.871 tors. eta vs tors. theta energy: -8.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -68.214396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.214396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.214396 (E_RNA) where: Base-Base interactions energy: -23.091 where: short stacking energy: -23.091 Base-Backbone interact. energy: -0.234 local terms energy: -44.889633 where: bonds (distance) C4'-P energy: -11.599 bonds (distance) P-C4' energy: -11.706 flat angles C4'-P-C4' energy: -9.710 flat angles P-C4'-P energy: -6.998 tors. eta vs tors. theta energy: -4.878 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: 1, replica: 1 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -201.411941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.411941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.411941 (E_RNA) where: Base-Base interactions energy: -137.166 where: short stacking energy: -56.873 Base-Backbone interact. energy: -0.007 local terms energy: -64.238331 where: bonds (distance) C4'-P energy: -14.029 bonds (distance) P-C4' energy: -12.980 flat angles C4'-P-C4' energy: -11.512 flat angles P-C4'-P energy: -10.447 tors. eta vs tors. theta energy: -15.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -199.230662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.230662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.230662 (E_RNA) where: Base-Base interactions energy: -136.423 where: short stacking energy: -60.703 Base-Backbone interact. energy: -0.023 local terms energy: -62.785029 where: bonds (distance) C4'-P energy: -12.998 bonds (distance) P-C4' energy: -14.653 flat angles C4'-P-C4' energy: -14.877 flat angles P-C4'-P energy: -6.262 tors. eta vs tors. theta energy: -13.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -201.390097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.390097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.390097 (E_RNA) where: Base-Base interactions energy: -135.509 where: short stacking energy: -59.767 Base-Backbone interact. energy: -0.315 local terms energy: -65.566067 where: bonds (distance) C4'-P energy: -13.558 bonds (distance) P-C4' energy: -12.032 flat angles C4'-P-C4' energy: -14.676 flat angles P-C4'-P energy: -8.737 tors. eta vs tors. theta energy: -16.564 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: 2 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -192.202625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.202625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.202625 (E_RNA) where: Base-Base interactions energy: -134.913 where: short stacking energy: -56.720 Base-Backbone interact. energy: -0.003 local terms energy: -57.286688 where: bonds (distance) C4'-P energy: -7.621 bonds (distance) P-C4' energy: -13.502 flat angles C4'-P-C4' energy: -11.668 flat angles P-C4'-P energy: -9.275 tors. eta vs tors. theta energy: -15.222 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: 5, replica: 5 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -181.215436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.215436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.215436 (E_RNA) where: Base-Base interactions energy: -124.744 where: short stacking energy: -48.638 Base-Backbone interact. energy: -0.020 local terms energy: -56.450787 where: bonds (distance) C4'-P energy: -11.450 bonds (distance) P-C4' energy: -10.989 flat angles C4'-P-C4' energy: -13.934 flat angles P-C4'-P energy: -6.335 tors. eta vs tors. theta energy: -13.742 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: 6, replica: 7 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -181.070612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.070612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.070612 (E_RNA) where: Base-Base interactions energy: -120.599 where: short stacking energy: -50.726 Base-Backbone interact. energy: -0.001 local terms energy: -60.470962 where: bonds (distance) C4'-P energy: -12.190 bonds (distance) P-C4' energy: -9.135 flat angles C4'-P-C4' energy: -12.635 flat angles P-C4'-P energy: -9.558 tors. eta vs tors. theta energy: -16.953 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: 9 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -165.060484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.060484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.060484 (E_RNA) where: Base-Base interactions energy: -117.882 where: short stacking energy: -42.425 Base-Backbone interact. energy: -0.116 local terms energy: -47.062077 where: bonds (distance) C4'-P energy: -11.690 bonds (distance) P-C4' energy: -11.384 flat angles C4'-P-C4' energy: -11.684 flat angles P-C4'-P energy: -6.719 tors. eta vs tors. theta energy: -5.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -168.911978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.911978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.911978 (E_RNA) where: Base-Base interactions energy: -116.334 where: short stacking energy: -45.484 Base-Backbone interact. energy: -0.064 local terms energy: -52.514067 where: bonds (distance) C4'-P energy: -13.247 bonds (distance) P-C4' energy: -6.959 flat angles C4'-P-C4' energy: -13.573 flat angles P-C4'-P energy: -6.437 tors. eta vs tors. theta energy: -12.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -72.712661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.712661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.712661 (E_RNA) where: Base-Base interactions energy: -31.503 where: short stacking energy: -21.067 Base-Backbone interact. energy: -0.116 local terms energy: -41.093851 where: bonds (distance) C4'-P energy: -10.688 bonds (distance) P-C4' energy: -13.328 flat angles C4'-P-C4' energy: -8.432 flat angles P-C4'-P energy: -3.185 tors. eta vs tors. theta energy: -5.460 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: 8 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -63.266864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.266864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.266864 (E_RNA) where: Base-Base interactions energy: -20.498 where: short stacking energy: -20.498 Base-Backbone interact. energy: -0.142 local terms energy: -42.627116 where: bonds (distance) C4'-P energy: -12.030 bonds (distance) P-C4' energy: -9.589 flat angles C4'-P-C4' energy: -10.393 flat angles P-C4'-P energy: -8.340 tors. eta vs tors. theta energy: -2.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -201.372813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.372813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.372813 (E_RNA) where: Base-Base interactions energy: -138.401 where: short stacking energy: -58.508 Base-Backbone interact. energy: -0.098 local terms energy: -62.874283 where: bonds (distance) C4'-P energy: -14.092 bonds (distance) P-C4' energy: -11.211 flat angles C4'-P-C4' energy: -10.811 flat angles P-C4'-P energy: -8.731 tors. eta vs tors. theta energy: -18.029 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: 10 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -198.797258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.797258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.797258 (E_RNA) where: Base-Base interactions energy: -136.519 where: short stacking energy: -59.272 Base-Backbone interact. energy: -0.006 local terms energy: -62.273148 where: bonds (distance) C4'-P energy: -11.362 bonds (distance) P-C4' energy: -12.609 flat angles C4'-P-C4' energy: -12.588 flat angles P-C4'-P energy: -9.623 tors. eta vs tors. theta energy: -16.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -198.024554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.024554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.024554 (E_RNA) where: Base-Base interactions energy: -129.372 where: short stacking energy: -58.218 Base-Backbone interact. energy: -0.008 local terms energy: -68.645078 where: bonds (distance) C4'-P energy: -13.586 bonds (distance) P-C4' energy: -13.607 flat angles C4'-P-C4' energy: -14.714 flat angles P-C4'-P energy: -9.202 tors. eta vs tors. theta energy: -17.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -185.362624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.362624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.362624 (E_RNA) where: Base-Base interactions energy: -132.354 where: short stacking energy: -52.050 Base-Backbone interact. energy: -0.010 local terms energy: -52.998687 where: bonds (distance) C4'-P energy: -5.807 bonds (distance) P-C4' energy: -14.818 flat angles C4'-P-C4' energy: -7.545 flat angles P-C4'-P energy: -7.636 tors. eta vs tors. theta energy: -17.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -183.528967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.528967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.528967 (E_RNA) where: Base-Base interactions energy: -126.383 where: short stacking energy: -56.784 Base-Backbone interact. energy: -0.005 local terms energy: -57.141131 where: bonds (distance) C4'-P energy: -12.038 bonds (distance) P-C4' energy: -8.882 flat angles C4'-P-C4' energy: -11.587 flat angles P-C4'-P energy: -7.807 tors. eta vs tors. theta energy: -16.827 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: 9 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -178.842260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.842260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.842260 (E_RNA) where: Base-Base interactions energy: -126.841 where: short stacking energy: -51.310 Base-Backbone interact. energy: 0.208 local terms energy: -52.209706 where: bonds (distance) C4'-P energy: -7.750 bonds (distance) P-C4' energy: -12.507 flat angles C4'-P-C4' energy: -10.095 flat angles P-C4'-P energy: -11.258 tors. eta vs tors. theta energy: -10.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -178.221926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.221926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.221926 (E_RNA) where: Base-Base interactions energy: -125.341 where: short stacking energy: -49.326 Base-Backbone interact. energy: -0.248 local terms energy: -52.633036 where: bonds (distance) C4'-P energy: -11.107 bonds (distance) P-C4' energy: -11.248 flat angles C4'-P-C4' energy: -13.702 flat angles P-C4'-P energy: -4.743 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: 8, replica: 6 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -160.141455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.141455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.141455 (E_RNA) where: Base-Base interactions energy: -110.201 where: short stacking energy: -45.742 Base-Backbone interact. energy: 0.487 local terms energy: -50.428245 where: bonds (distance) C4'-P energy: -12.004 bonds (distance) P-C4' energy: -11.408 flat angles C4'-P-C4' energy: -10.390 flat angles P-C4'-P energy: -8.564 tors. eta vs tors. theta energy: -8.064 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: 3 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -78.600886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.600886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.600886 (E_RNA) where: Base-Base interactions energy: -34.524 where: short stacking energy: -24.535 Base-Backbone interact. energy: 1.041 local terms energy: -45.117992 where: bonds (distance) C4'-P energy: -9.703 bonds (distance) P-C4' energy: -13.040 flat angles C4'-P-C4' energy: -9.887 flat angles P-C4'-P energy: -10.034 tors. eta vs tors. theta energy: -2.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -84.074791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.074791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.074791 (E_RNA) where: Base-Base interactions energy: -40.875 where: short stacking energy: -19.964 Base-Backbone interact. energy: -0.313 local terms energy: -42.886892 where: bonds (distance) C4'-P energy: -5.115 bonds (distance) P-C4' energy: -14.678 flat angles C4'-P-C4' energy: -8.879 flat angles P-C4'-P energy: -11.885 tors. eta vs tors. theta energy: -2.331 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: 10 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -200.753660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.753660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.753660 (E_RNA) where: Base-Base interactions energy: -139.534 where: short stacking energy: -58.627 Base-Backbone interact. energy: -0.004 local terms energy: -61.215607 where: bonds (distance) C4'-P energy: -12.517 bonds (distance) P-C4' energy: -11.002 flat angles C4'-P-C4' energy: -11.063 flat angles P-C4'-P energy: -11.402 tors. eta vs tors. theta energy: -15.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -196.159833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.159833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.159833 (E_RNA) where: Base-Base interactions energy: -136.069 where: short stacking energy: -58.387 Base-Backbone interact. energy: -0.078 local terms energy: -60.012902 where: bonds (distance) C4'-P energy: -13.504 bonds (distance) P-C4' energy: -9.803 flat angles C4'-P-C4' energy: -11.482 flat angles P-C4'-P energy: -7.848 tors. eta vs tors. theta energy: -17.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -195.799076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.799076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.799076 (E_RNA) where: Base-Base interactions energy: -139.961 where: short stacking energy: -58.385 Base-Backbone interact. energy: -0.001 local terms energy: -55.837595 where: bonds (distance) C4'-P energy: -8.577 bonds (distance) P-C4' energy: -10.727 flat angles C4'-P-C4' energy: -9.490 flat angles P-C4'-P energy: -11.531 tors. eta vs tors. theta energy: -15.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -185.649699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.649699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.649699 (E_RNA) where: Base-Base interactions energy: -122.343 where: short stacking energy: -53.145 Base-Backbone interact. energy: -0.051 local terms energy: -63.254917 where: bonds (distance) C4'-P energy: -13.879 bonds (distance) P-C4' energy: -12.381 flat angles C4'-P-C4' energy: -12.512 flat angles P-C4'-P energy: -8.872 tors. eta vs tors. theta energy: -15.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -170.771001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.771001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.771001 (E_RNA) where: Base-Base interactions energy: -111.793 where: short stacking energy: -49.604 Base-Backbone interact. energy: -0.019 local terms energy: -58.958902 where: bonds (distance) C4'-P energy: -9.527 bonds (distance) P-C4' energy: -14.871 flat angles C4'-P-C4' energy: -12.692 flat angles P-C4'-P energy: -8.202 tors. eta vs tors. theta energy: -13.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -173.305379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.305379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.305379 (E_RNA) where: Base-Base interactions energy: -119.537 where: short stacking energy: -45.310 Base-Backbone interact. energy: -0.475 local terms energy: -53.293014 where: bonds (distance) C4'-P energy: -11.012 bonds (distance) P-C4' energy: -13.346 flat angles C4'-P-C4' energy: -13.560 flat angles P-C4'-P energy: -4.516 tors. eta vs tors. theta energy: -10.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -188.471300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.471300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.471300 (E_RNA) where: Base-Base interactions energy: -135.016 where: short stacking energy: -57.743 Base-Backbone interact. energy: 0.782 local terms energy: -54.237057 where: bonds (distance) C4'-P energy: -12.709 bonds (distance) P-C4' energy: -7.755 flat angles C4'-P-C4' energy: -11.408 flat angles P-C4'-P energy: -9.214 tors. eta vs tors. theta energy: -13.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -176.687872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.687872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.687872 (E_RNA) where: Base-Base interactions energy: -125.928 where: short stacking energy: -51.710 Base-Backbone interact. energy: -0.432 local terms energy: -50.327624 where: bonds (distance) C4'-P energy: -8.135 bonds (distance) P-C4' energy: -12.688 flat angles C4'-P-C4' energy: -11.494 flat angles P-C4'-P energy: -6.489 tors. eta vs tors. theta energy: -11.521 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: 8 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -78.510988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.510988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.510988 (E_RNA) where: Base-Base interactions energy: -28.700 where: short stacking energy: -25.515 Base-Backbone interact. energy: -0.007 local terms energy: -49.804731 where: bonds (distance) C4'-P energy: -11.577 bonds (distance) P-C4' energy: -12.454 flat angles C4'-P-C4' energy: -11.055 flat angles P-C4'-P energy: -6.971 tors. eta vs tors. theta energy: -7.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -59.366538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.366538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.366538 (E_RNA) where: Base-Base interactions energy: -21.671 where: short stacking energy: -20.915 Base-Backbone interact. energy: -0.016 local terms energy: -37.679460 where: bonds (distance) C4'-P energy: -4.834 bonds (distance) P-C4' energy: -12.165 flat angles C4'-P-C4' energy: -9.927 flat angles P-C4'-P energy: -6.064 tors. eta vs tors. theta energy: -4.690 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: 10 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -201.188914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.188914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.188914 (E_RNA) where: Base-Base interactions energy: -136.932 where: short stacking energy: -57.351 Base-Backbone interact. energy: -0.002 local terms energy: -64.254550 where: bonds (distance) C4'-P energy: -13.516 bonds (distance) P-C4' energy: -12.637 flat angles C4'-P-C4' energy: -12.949 flat angles P-C4'-P energy: -9.298 tors. eta vs tors. theta energy: -15.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -199.533785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.533785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.533785 (E_RNA) where: Base-Base interactions energy: -136.551 where: short stacking energy: -55.614 Base-Backbone interact. energy: -0.033 local terms energy: -62.950169 where: bonds (distance) C4'-P energy: -13.035 bonds (distance) P-C4' energy: -13.969 flat angles C4'-P-C4' energy: -10.953 flat angles P-C4'-P energy: -9.121 tors. eta vs tors. theta energy: -15.872 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: 183 Temperature: 1.000000 Total energy: -197.709385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.709385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.709385 (E_RNA) where: Base-Base interactions energy: -139.280 where: short stacking energy: -59.680 Base-Backbone interact. energy: -0.001 local terms energy: -58.429040 where: bonds (distance) C4'-P energy: -9.337 bonds (distance) P-C4' energy: -14.790 flat angles C4'-P-C4' energy: -14.829 flat angles P-C4'-P energy: -4.696 tors. eta vs tors. theta energy: -14.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -178.217200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.217200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.217200 (E_RNA) where: Base-Base interactions energy: -120.976 where: short stacking energy: -52.769 Base-Backbone interact. energy: -0.019 local terms energy: -57.222188 where: bonds (distance) C4'-P energy: -8.986 bonds (distance) P-C4' energy: -11.803 flat angles C4'-P-C4' energy: -13.435 flat angles P-C4'-P energy: -10.768 tors. eta vs tors. theta energy: -12.231 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: 5, replica: 9 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -184.710172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.710172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.710172 (E_RNA) where: Base-Base interactions energy: -125.312 where: short stacking energy: -53.074 Base-Backbone interact. energy: -0.071 local terms energy: -59.326927 where: bonds (distance) C4'-P energy: -10.010 bonds (distance) P-C4' energy: -14.259 flat angles C4'-P-C4' energy: -11.895 flat angles P-C4'-P energy: -7.716 tors. eta vs tors. theta energy: -15.447 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: 6 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -187.914204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.914204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.914204 (E_RNA) where: Base-Base interactions energy: -124.032 where: short stacking energy: -54.827 Base-Backbone interact. energy: -0.001 local terms energy: -63.880928 where: bonds (distance) C4'-P energy: -13.309 bonds (distance) P-C4' energy: -15.336 flat angles C4'-P-C4' energy: -11.422 flat angles P-C4'-P energy: -8.939 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: 7, replica: 2 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -179.862353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.862353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.862353 (E_RNA) where: Base-Base interactions energy: -122.832 where: short stacking energy: -51.873 Base-Backbone interact. energy: -0.000 local terms energy: -57.029988 where: bonds (distance) C4'-P energy: -12.323 bonds (distance) P-C4' energy: -12.998 flat angles C4'-P-C4' energy: -8.870 flat angles P-C4'-P energy: -9.225 tors. eta vs tors. theta energy: -13.614 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: 7 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -171.122600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.122600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.122600 (E_RNA) where: Base-Base interactions energy: -110.881 where: short stacking energy: -44.069 Base-Backbone interact. energy: -0.063 local terms energy: -60.179402 where: bonds (distance) C4'-P energy: -11.890 bonds (distance) P-C4' energy: -12.027 flat angles C4'-P-C4' energy: -12.358 flat angles P-C4'-P energy: -10.059 tors. eta vs tors. theta energy: -13.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -69.860548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.860548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.860548 (E_RNA) where: Base-Base interactions energy: -24.437 where: short stacking energy: -24.006 Base-Backbone interact. energy: -0.265 local terms energy: -45.158064 where: bonds (distance) C4'-P energy: -14.571 bonds (distance) P-C4' energy: -11.556 flat angles C4'-P-C4' energy: -10.503 flat angles P-C4'-P energy: -9.077 tors. eta vs tors. theta energy: 0.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -66.525349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.525349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.525349 (E_RNA) where: Base-Base interactions energy: -29.153 where: short stacking energy: -28.995 Base-Backbone interact. energy: -0.125 local terms energy: -37.247346 where: bonds (distance) C4'-P energy: -8.345 bonds (distance) P-C4' energy: -11.489 flat angles C4'-P-C4' energy: -13.514 flat angles P-C4'-P energy: -4.509 tors. eta vs tors. theta energy: 0.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -208.243493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.243493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.243493 (E_RNA) where: Base-Base interactions energy: -140.463 where: short stacking energy: -61.773 Base-Backbone interact. energy: -0.004 local terms energy: -67.776386 where: bonds (distance) C4'-P energy: -13.467 bonds (distance) P-C4' energy: -12.306 flat angles C4'-P-C4' energy: -14.744 flat angles P-C4'-P energy: -11.459 tors. eta vs tors. theta energy: -15.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -207.027990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.027990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.027990 (E_RNA) where: Base-Base interactions energy: -143.542 where: short stacking energy: -62.447 Base-Backbone interact. energy: -0.044 local terms energy: -63.442255 where: bonds (distance) C4'-P energy: -11.176 bonds (distance) P-C4' energy: -14.535 flat angles C4'-P-C4' energy: -13.519 flat angles P-C4'-P energy: -10.343 tors. eta vs tors. theta energy: -13.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -175.356552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.356552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.356552 (E_RNA) where: Base-Base interactions energy: -125.810 where: short stacking energy: -52.534 Base-Backbone interact. energy: -0.103 local terms energy: -49.443567 where: bonds (distance) C4'-P energy: -11.629 bonds (distance) P-C4' energy: -10.918 flat angles C4'-P-C4' energy: -8.922 flat angles P-C4'-P energy: -9.202 tors. eta vs tors. theta energy: -8.772 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: 1 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -196.797151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.797151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.797151 (E_RNA) where: Base-Base interactions energy: -139.014 where: short stacking energy: -53.542 Base-Backbone interact. energy: -0.001 local terms energy: -57.781272 where: bonds (distance) C4'-P energy: -10.035 bonds (distance) P-C4' energy: -14.392 flat angles C4'-P-C4' energy: -11.744 flat angles P-C4'-P energy: -7.656 tors. eta vs tors. theta energy: -13.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -191.701523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.701523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.701523 (E_RNA) where: Base-Base interactions energy: -132.372 where: short stacking energy: -55.897 Base-Backbone interact. energy: -0.050 local terms energy: -59.279618 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -13.511 flat angles C4'-P-C4' energy: -10.876 flat angles P-C4'-P energy: -10.464 tors. eta vs tors. theta energy: -16.744 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: 9 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -178.908025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.908025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.908025 (E_RNA) where: Base-Base interactions energy: -121.019 where: short stacking energy: -48.154 Base-Backbone interact. energy: -0.057 local terms energy: -57.832539 where: bonds (distance) C4'-P energy: -11.790 bonds (distance) P-C4' energy: -11.721 flat angles C4'-P-C4' energy: -9.936 flat angles P-C4'-P energy: -10.653 tors. eta vs tors. theta energy: -13.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -176.775738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.775738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.775738 (E_RNA) where: Base-Base interactions energy: -125.388 where: short stacking energy: -50.682 Base-Backbone interact. energy: -0.001 local terms energy: -51.387253 where: bonds (distance) C4'-P energy: -8.692 bonds (distance) P-C4' energy: -10.915 flat angles C4'-P-C4' energy: -10.405 flat angles P-C4'-P energy: -6.988 tors. eta vs tors. theta energy: -14.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -172.828354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.828354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.828354 (E_RNA) where: Base-Base interactions energy: -127.745 where: short stacking energy: -46.557 Base-Backbone interact. energy: -0.133 local terms energy: -44.950244 where: bonds (distance) C4'-P energy: -8.522 bonds (distance) P-C4' energy: -10.478 flat angles C4'-P-C4' energy: -12.105 flat angles P-C4'-P energy: -6.658 tors. eta vs tors. theta energy: -7.188 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: 3 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -77.933382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.933382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.933382 (E_RNA) where: Base-Base interactions energy: -29.753 where: short stacking energy: -26.244 Base-Backbone interact. energy: -0.085 local terms energy: -48.095578 where: bonds (distance) C4'-P energy: -11.428 bonds (distance) P-C4' energy: -13.064 flat angles C4'-P-C4' energy: -11.218 flat angles P-C4'-P energy: -8.480 tors. eta vs tors. theta energy: -3.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -68.006964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.006964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.006964 (E_RNA) where: Base-Base interactions energy: -32.300 where: short stacking energy: -29.240 Base-Backbone interact. energy: -0.008 local terms energy: -35.698395 where: bonds (distance) C4'-P energy: -4.909 bonds (distance) P-C4' energy: -12.292 flat angles C4'-P-C4' energy: -9.076 flat angles P-C4'-P energy: -1.619 tors. eta vs tors. theta energy: -7.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -201.688877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.688877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.688877 (E_RNA) where: Base-Base interactions energy: -135.004 where: short stacking energy: -59.776 Base-Backbone interact. energy: 0.342 local terms energy: -67.026437 where: bonds (distance) C4'-P energy: -13.309 bonds (distance) P-C4' energy: -13.567 flat angles C4'-P-C4' energy: -14.886 flat angles P-C4'-P energy: -9.054 tors. eta vs tors. theta energy: -16.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -202.521456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.521456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.521456 (E_RNA) where: Base-Base interactions energy: -137.242 where: short stacking energy: -59.120 Base-Backbone interact. energy: -0.001 local terms energy: -65.278596 where: bonds (distance) C4'-P energy: -11.984 bonds (distance) P-C4' energy: -12.191 flat angles C4'-P-C4' energy: -14.089 flat angles P-C4'-P energy: -11.363 tors. eta vs tors. theta energy: -15.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -194.528988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.528988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.528988 (E_RNA) where: Base-Base interactions energy: -133.340 where: short stacking energy: -57.930 Base-Backbone interact. energy: -0.000 local terms energy: -61.188513 where: bonds (distance) C4'-P energy: -13.706 bonds (distance) P-C4' energy: -12.874 flat angles C4'-P-C4' energy: -10.946 flat angles P-C4'-P energy: -6.659 tors. eta vs tors. theta energy: -17.004 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: 4, replica: 6 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -186.388086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.388086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.388086 (E_RNA) where: Base-Base interactions energy: -126.754 where: short stacking energy: -53.474 Base-Backbone interact. energy: -0.383 local terms energy: -59.251714 where: bonds (distance) C4'-P energy: -9.208 bonds (distance) P-C4' energy: -12.983 flat angles C4'-P-C4' energy: -14.296 flat angles P-C4'-P energy: -9.862 tors. eta vs tors. theta energy: -12.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -192.196636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.196636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.196636 (E_RNA) where: Base-Base interactions energy: -135.151 where: short stacking energy: -55.925 Base-Backbone interact. energy: -0.001 local terms energy: -57.045191 where: bonds (distance) C4'-P energy: -6.317 bonds (distance) P-C4' energy: -12.975 flat angles C4'-P-C4' energy: -12.459 flat angles P-C4'-P energy: -8.517 tors. eta vs tors. theta energy: -16.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -187.911495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.911495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.911495 (E_RNA) where: Base-Base interactions energy: -130.903 where: short stacking energy: -56.036 Base-Backbone interact. energy: -0.805 local terms energy: -56.203876 where: bonds (distance) C4'-P energy: -11.231 bonds (distance) P-C4' energy: -13.035 flat angles C4'-P-C4' energy: -9.776 flat angles P-C4'-P energy: -4.301 tors. eta vs tors. theta energy: -17.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -173.944313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.944313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.944313 (E_RNA) where: Base-Base interactions energy: -126.425 where: short stacking energy: -49.389 Base-Backbone interact. energy: -0.108 local terms energy: -47.411765 where: bonds (distance) C4'-P energy: -8.116 bonds (distance) P-C4' energy: -13.479 flat angles C4'-P-C4' energy: -7.447 flat angles P-C4'-P energy: -7.019 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: 8, replica: 2 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -158.803441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.803441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.803441 (E_RNA) where: Base-Base interactions energy: -107.835 where: short stacking energy: -44.499 Base-Backbone interact. energy: -0.091 local terms energy: -50.877543 where: bonds (distance) C4'-P energy: -9.599 bonds (distance) P-C4' energy: -11.098 flat angles C4'-P-C4' energy: -8.233 flat angles P-C4'-P energy: -9.005 tors. eta vs tors. theta energy: -12.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -126.300091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.300091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.300091 (E_RNA) where: Base-Base interactions energy: -78.048 where: short stacking energy: -42.657 Base-Backbone interact. energy: -0.716 local terms energy: -47.535815 where: bonds (distance) C4'-P energy: -11.549 bonds (distance) P-C4' energy: -7.424 flat angles C4'-P-C4' energy: -13.096 flat angles P-C4'-P energy: -4.227 tors. eta vs tors. theta energy: -11.240 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: 10, replica: 8 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -74.216401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.216401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.216401 (E_RNA) where: Base-Base interactions energy: -29.098 where: short stacking energy: -24.888 Base-Backbone interact. energy: -0.052 local terms energy: -45.066713 where: bonds (distance) C4'-P energy: -11.068 bonds (distance) P-C4' energy: -14.427 flat angles C4'-P-C4' energy: -12.370 flat angles P-C4'-P energy: -5.422 tors. eta vs tors. theta energy: -1.780 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: 4 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -203.277525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.277525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.277525 (E_RNA) where: Base-Base interactions energy: -143.673 where: short stacking energy: -64.095 Base-Backbone interact. energy: -0.000 local terms energy: -59.604341 where: bonds (distance) C4'-P energy: -12.039 bonds (distance) P-C4' energy: -12.830 flat angles C4'-P-C4' energy: -13.333 flat angles P-C4'-P energy: -8.187 tors. eta vs tors. theta energy: -13.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -201.084315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.084315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.084315 (E_RNA) where: Base-Base interactions energy: -144.914 where: short stacking energy: -58.429 Base-Backbone interact. energy: -0.000 local terms energy: -56.170088 where: bonds (distance) C4'-P energy: -10.515 bonds (distance) P-C4' energy: -10.037 flat angles C4'-P-C4' energy: -12.249 flat angles P-C4'-P energy: -7.219 tors. eta vs tors. theta energy: -16.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -180.042873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.042873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.042873 (E_RNA) where: Base-Base interactions energy: -123.071 where: short stacking energy: -51.361 Base-Backbone interact. energy: -0.376 local terms energy: -56.595080 where: bonds (distance) C4'-P energy: -12.651 bonds (distance) P-C4' energy: -10.495 flat angles C4'-P-C4' energy: -12.805 flat angles P-C4'-P energy: -8.248 tors. eta vs tors. theta energy: -12.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -190.303039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.303039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.303039 (E_RNA) where: Base-Base interactions energy: -133.048 where: short stacking energy: -51.736 Base-Backbone interact. energy: -1.069 local terms energy: -56.186003 where: bonds (distance) C4'-P energy: -14.216 bonds (distance) P-C4' energy: -11.252 flat angles C4'-P-C4' energy: -10.304 flat angles P-C4'-P energy: -6.598 tors. eta vs tors. theta energy: -13.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -192.985712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.985712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.985712 (E_RNA) where: Base-Base interactions energy: -134.396 where: short stacking energy: -61.176 Base-Backbone interact. energy: -0.167 local terms energy: -58.422316 where: bonds (distance) C4'-P energy: -8.605 bonds (distance) P-C4' energy: -12.832 flat angles C4'-P-C4' energy: -11.086 flat angles P-C4'-P energy: -9.007 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: 6, replica: 1 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -191.269273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.269273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.269273 (E_RNA) where: Base-Base interactions energy: -134.349 where: short stacking energy: -58.493 Base-Backbone interact. energy: -0.004 local terms energy: -56.916202 where: bonds (distance) C4'-P energy: -9.557 bonds (distance) P-C4' energy: -11.815 flat angles C4'-P-C4' energy: -12.947 flat angles P-C4'-P energy: -6.141 tors. eta vs tors. theta energy: -16.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -173.141768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.141768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.141768 (E_RNA) where: Base-Base interactions energy: -123.771 where: short stacking energy: -51.348 Base-Backbone interact. energy: -0.057 local terms energy: -49.313957 where: bonds (distance) C4'-P energy: -8.105 bonds (distance) P-C4' energy: -13.420 flat angles C4'-P-C4' energy: -12.275 flat angles P-C4'-P energy: -3.904 tors. eta vs tors. theta energy: -11.610 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: 8, replica: 2 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -168.499655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.499655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.499655 (E_RNA) where: Base-Base interactions energy: -116.198 where: short stacking energy: -48.364 Base-Backbone interact. energy: -0.003 local terms energy: -52.298293 where: bonds (distance) C4'-P energy: -10.108 bonds (distance) P-C4' energy: -9.658 flat angles C4'-P-C4' energy: -11.334 flat angles P-C4'-P energy: -8.868 tors. eta vs tors. theta energy: -12.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -70.396042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.396042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.396042 (E_RNA) where: Base-Base interactions energy: -27.076 where: short stacking energy: -27.076 Base-Backbone interact. energy: -0.067 local terms energy: -43.252813 where: bonds (distance) C4'-P energy: -9.368 bonds (distance) P-C4' energy: -12.293 flat angles C4'-P-C4' energy: -12.617 flat angles P-C4'-P energy: -6.372 tors. eta vs tors. theta energy: -2.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -76.450677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.450677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.450677 (E_RNA) where: Base-Base interactions energy: -29.788 where: short stacking energy: -26.077 Base-Backbone interact. energy: -0.223 local terms energy: -46.439811 where: bonds (distance) C4'-P energy: -9.377 bonds (distance) P-C4' energy: -12.140 flat angles C4'-P-C4' energy: -10.781 flat angles P-C4'-P energy: -7.667 tors. eta vs tors. theta energy: -6.476 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: 4 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -204.589954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.589954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.589954 (E_RNA) where: Base-Base interactions energy: -138.037 where: short stacking energy: -57.219 Base-Backbone interact. energy: -0.001 local terms energy: -66.551749 where: bonds (distance) C4'-P energy: -11.788 bonds (distance) P-C4' energy: -13.083 flat angles C4'-P-C4' energy: -14.750 flat angles P-C4'-P energy: -10.366 tors. eta vs tors. theta energy: -16.564 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: 6 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -194.616496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.616496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.616496 (E_RNA) where: Base-Base interactions energy: -140.141 where: short stacking energy: -59.125 Base-Backbone interact. energy: -0.328 local terms energy: -54.147020 where: bonds (distance) C4'-P energy: -9.876 bonds (distance) P-C4' energy: -10.150 flat angles C4'-P-C4' energy: -13.885 flat angles P-C4'-P energy: -5.203 tors. eta vs tors. theta energy: -15.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -187.389215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.389215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.389215 (E_RNA) where: Base-Base interactions energy: -123.899 where: short stacking energy: -55.004 Base-Backbone interact. energy: -0.078 local terms energy: -63.412461 where: bonds (distance) C4'-P energy: -11.864 bonds (distance) P-C4' energy: -11.563 flat angles C4'-P-C4' energy: -12.706 flat angles P-C4'-P energy: -9.775 tors. eta vs tors. theta energy: -17.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -197.091792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.091792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.091792 (E_RNA) where: Base-Base interactions energy: -135.302 where: short stacking energy: -60.068 Base-Backbone interact. energy: -0.000 local terms energy: -61.789276 where: bonds (distance) C4'-P energy: -11.624 bonds (distance) P-C4' energy: -12.698 flat angles C4'-P-C4' energy: -11.371 flat angles P-C4'-P energy: -7.719 tors. eta vs tors. theta energy: -18.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -188.519453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.519453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.519453 (E_RNA) where: Base-Base interactions energy: -131.095 where: short stacking energy: -54.097 Base-Backbone interact. energy: -0.724 local terms energy: -56.701223 where: bonds (distance) C4'-P energy: -8.309 bonds (distance) P-C4' energy: -13.018 flat angles C4'-P-C4' energy: -10.603 flat angles P-C4'-P energy: -8.278 tors. eta vs tors. theta energy: -16.494 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: 1 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -174.004026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.004026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.004026 (E_RNA) where: Base-Base interactions energy: -116.477 where: short stacking energy: -46.190 Base-Backbone interact. energy: -0.013 local terms energy: -57.514496 where: bonds (distance) C4'-P energy: -10.159 bonds (distance) P-C4' energy: -12.842 flat angles C4'-P-C4' energy: -13.221 flat angles P-C4'-P energy: -9.988 tors. eta vs tors. theta energy: -11.305 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: 9 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -164.737214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.737214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.737214 (E_RNA) where: Base-Base interactions energy: -118.493 where: short stacking energy: -48.161 Base-Backbone interact. energy: -0.156 local terms energy: -46.088829 where: bonds (distance) C4'-P energy: -8.643 bonds (distance) P-C4' energy: -10.503 flat angles C4'-P-C4' energy: -10.363 flat angles P-C4'-P energy: -6.349 tors. eta vs tors. theta energy: -10.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -161.181350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.181350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.181350 (E_RNA) where: Base-Base interactions energy: -115.323 where: short stacking energy: -48.339 Base-Backbone interact. energy: -0.090 local terms energy: -45.769108 where: bonds (distance) C4'-P energy: -4.197 bonds (distance) P-C4' energy: -11.524 flat angles C4'-P-C4' energy: -11.318 flat angles P-C4'-P energy: -4.834 tors. eta vs tors. theta energy: -13.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -62.430159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.430159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.430159 (E_RNA) where: Base-Base interactions energy: -22.138 where: short stacking energy: -17.522 Base-Backbone interact. energy: -0.157 local terms energy: -40.134625 where: bonds (distance) C4'-P energy: -12.137 bonds (distance) P-C4' energy: -12.532 flat angles C4'-P-C4' energy: -12.705 flat angles P-C4'-P energy: -3.583 tors. eta vs tors. theta energy: 0.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -83.136289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.136289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.136289 (E_RNA) where: Base-Base interactions energy: -50.385 where: short stacking energy: -24.592 Base-Backbone interact. energy: -0.129 local terms energy: -32.621661 where: bonds (distance) C4'-P energy: -9.147 bonds (distance) P-C4' energy: -12.162 flat angles C4'-P-C4' energy: -9.723 flat angles P-C4'-P energy: -3.196 tors. eta vs tors. theta energy: 1.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -197.442779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.442779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.442779 (E_RNA) where: Base-Base interactions energy: -136.464 where: short stacking energy: -55.794 Base-Backbone interact. energy: -0.016 local terms energy: -60.962795 where: bonds (distance) C4'-P energy: -14.373 bonds (distance) P-C4' energy: -10.748 flat angles C4'-P-C4' energy: -12.512 flat angles P-C4'-P energy: -8.133 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: 2, replica: 4 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -198.095948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.095948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.095948 (E_RNA) where: Base-Base interactions energy: -140.372 where: short stacking energy: -62.653 Base-Backbone interact. energy: -0.008 local terms energy: -57.715763 where: bonds (distance) C4'-P energy: -13.444 bonds (distance) P-C4' energy: -10.989 flat angles C4'-P-C4' energy: -11.901 flat angles P-C4'-P energy: -5.642 tors. eta vs tors. theta energy: -15.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -198.663448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.663448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.663448 (E_RNA) where: Base-Base interactions energy: -129.114 where: short stacking energy: -57.407 Base-Backbone interact. energy: -0.001 local terms energy: -69.548438 where: bonds (distance) C4'-P energy: -13.043 bonds (distance) P-C4' energy: -14.349 flat angles C4'-P-C4' energy: -15.129 flat angles P-C4'-P energy: -9.901 tors. eta vs tors. theta energy: -17.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -196.292165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.292165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.292165 (E_RNA) where: Base-Base interactions energy: -132.039 where: short stacking energy: -56.017 Base-Backbone interact. energy: 0.361 local terms energy: -64.614085 where: bonds (distance) C4'-P energy: -13.346 bonds (distance) P-C4' energy: -14.674 flat angles C4'-P-C4' energy: -11.207 flat angles P-C4'-P energy: -10.023 tors. eta vs tors. theta energy: -15.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -182.442048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.442048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.442048 (E_RNA) where: Base-Base interactions energy: -131.120 where: short stacking energy: -55.430 Base-Backbone interact. energy: -0.003 local terms energy: -51.319702 where: bonds (distance) C4'-P energy: -10.647 bonds (distance) P-C4' energy: -10.748 flat angles C4'-P-C4' energy: -11.279 flat angles P-C4'-P energy: -5.230 tors. eta vs tors. theta energy: -13.416 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: 7 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -176.547919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.547919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.547919 (E_RNA) where: Base-Base interactions energy: -115.807 where: short stacking energy: -52.197 Base-Backbone interact. energy: -0.041 local terms energy: -60.699865 where: bonds (distance) C4'-P energy: -12.253 bonds (distance) P-C4' energy: -13.511 flat angles C4'-P-C4' energy: -9.908 flat angles P-C4'-P energy: -8.034 tors. eta vs tors. theta energy: -16.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -186.887875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.887875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.887875 (E_RNA) where: Base-Base interactions energy: -130.344 where: short stacking energy: -55.988 Base-Backbone interact. energy: -0.003 local terms energy: -56.541631 where: bonds (distance) C4'-P energy: -10.788 bonds (distance) P-C4' energy: -11.385 flat angles C4'-P-C4' energy: -12.635 flat angles P-C4'-P energy: -5.649 tors. eta vs tors. theta energy: -16.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -173.408025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.408025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.408025 (E_RNA) where: Base-Base interactions energy: -121.315 where: short stacking energy: -51.389 Base-Backbone interact. energy: -0.001 local terms energy: -52.092077 where: bonds (distance) C4'-P energy: -9.622 bonds (distance) P-C4' energy: -11.405 flat angles C4'-P-C4' energy: -10.750 flat angles P-C4'-P energy: -3.475 tors. eta vs tors. theta energy: -16.841 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: 3 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -85.427081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.427081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.427081 (E_RNA) where: Base-Base interactions energy: -43.195 where: short stacking energy: -31.427 Base-Backbone interact. energy: -0.246 local terms energy: -41.985897 where: bonds (distance) C4'-P energy: -7.322 bonds (distance) P-C4' energy: -12.727 flat angles C4'-P-C4' energy: -12.073 flat angles P-C4'-P energy: -6.698 tors. eta vs tors. theta energy: -3.166 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: 8 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -64.333245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.333245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.333245 (E_RNA) where: Base-Base interactions energy: -27.362 where: short stacking energy: -16.185 Base-Backbone interact. energy: -0.116 local terms energy: -36.855502 where: bonds (distance) C4'-P energy: -13.664 bonds (distance) P-C4' energy: -12.257 flat angles C4'-P-C4' energy: -6.618 flat angles P-C4'-P energy: -5.365 tors. eta vs tors. theta energy: 1.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -202.039395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.039395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.039395 (E_RNA) where: Base-Base interactions energy: -141.168 where: short stacking energy: -58.672 Base-Backbone interact. energy: 0.996 local terms energy: -61.866644 where: bonds (distance) C4'-P energy: -13.391 bonds (distance) P-C4' energy: -13.095 flat angles C4'-P-C4' energy: -14.275 flat angles P-C4'-P energy: -6.881 tors. eta vs tors. theta energy: -14.224 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: 10 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -201.111601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.111601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.111601 (E_RNA) where: Base-Base interactions energy: -134.064 where: short stacking energy: -57.330 Base-Backbone interact. energy: -0.266 local terms energy: -66.781696 where: bonds (distance) C4'-P energy: -13.781 bonds (distance) P-C4' energy: -11.883 flat angles C4'-P-C4' energy: -15.113 flat angles P-C4'-P energy: -6.677 tors. eta vs tors. theta energy: -19.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -189.102962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.102962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.102962 (E_RNA) where: Base-Base interactions energy: -127.989 where: short stacking energy: -50.203 Base-Backbone interact. energy: -0.041 local terms energy: -61.072480 where: bonds (distance) C4'-P energy: -11.694 bonds (distance) P-C4' energy: -14.132 flat angles C4'-P-C4' energy: -12.913 flat angles P-C4'-P energy: -9.059 tors. eta vs tors. theta energy: -13.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -188.169817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.169817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.169817 (E_RNA) where: Base-Base interactions energy: -133.290 where: short stacking energy: -51.427 Base-Backbone interact. energy: -0.017 local terms energy: -54.862238 where: bonds (distance) C4'-P energy: -9.591 bonds (distance) P-C4' energy: -13.687 flat angles C4'-P-C4' energy: -11.133 flat angles P-C4'-P energy: -7.090 tors. eta vs tors. theta energy: -13.361 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: 5 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -185.405885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.405885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.405885 (E_RNA) where: Base-Base interactions energy: -131.658 where: short stacking energy: -55.293 Base-Backbone interact. energy: -0.010 local terms energy: -53.738297 where: bonds (distance) C4'-P energy: -6.073 bonds (distance) P-C4' energy: -12.895 flat angles C4'-P-C4' energy: -12.900 flat angles P-C4'-P energy: -8.169 tors. eta vs tors. theta energy: -13.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -193.106688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.106688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.106688 (E_RNA) where: Base-Base interactions energy: -134.787 where: short stacking energy: -54.670 Base-Backbone interact. energy: -0.289 local terms energy: -58.030620 where: bonds (distance) C4'-P energy: -10.774 bonds (distance) P-C4' energy: -12.796 flat angles C4'-P-C4' energy: -12.133 flat angles P-C4'-P energy: -5.211 tors. eta vs tors. theta energy: -17.117 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: 189 Temperature: 1.200000 Total energy: -185.999593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.999593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.999593 (E_RNA) where: Base-Base interactions energy: -124.232 where: short stacking energy: -52.311 Base-Backbone interact. energy: -0.048 local terms energy: -61.719152 where: bonds (distance) C4'-P energy: -11.712 bonds (distance) P-C4' energy: -13.797 flat angles C4'-P-C4' energy: -11.190 flat angles P-C4'-P energy: -11.197 tors. eta vs tors. theta energy: -13.823 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: 189 Temperature: 1.250000 Total energy: -171.091445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.091445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.091445 (E_RNA) where: Base-Base interactions energy: -114.825 where: short stacking energy: -44.508 Base-Backbone interact. energy: -0.108 local terms energy: -56.159357 where: bonds (distance) C4'-P energy: -10.034 bonds (distance) P-C4' energy: -13.082 flat angles C4'-P-C4' energy: -9.324 flat angles P-C4'-P energy: -7.945 tors. eta vs tors. theta energy: -15.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -91.788474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.788474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.788474 (E_RNA) where: Base-Base interactions energy: -55.557 where: short stacking energy: -22.889 Base-Backbone interact. energy: -0.678 local terms energy: -35.553482 where: bonds (distance) C4'-P energy: -7.724 bonds (distance) P-C4' energy: -12.351 flat angles C4'-P-C4' energy: -8.198 flat angles P-C4'-P energy: -6.136 tors. eta vs tors. theta energy: -1.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -69.667107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.667107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.667107 (E_RNA) where: Base-Base interactions energy: -26.623 where: short stacking energy: -13.715 Base-Backbone interact. energy: -0.342 local terms energy: -42.701399 where: bonds (distance) C4'-P energy: -13.491 bonds (distance) P-C4' energy: -12.048 flat angles C4'-P-C4' energy: -13.188 flat angles P-C4'-P energy: -0.630 tors. eta vs tors. theta energy: -3.344 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: 1, replica: 10 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -196.582492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.582492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.582492 (E_RNA) where: Base-Base interactions energy: -133.435 where: short stacking energy: -55.387 Base-Backbone interact. energy: -0.057 local terms energy: -63.089581 where: bonds (distance) C4'-P energy: -14.153 bonds (distance) P-C4' energy: -13.998 flat angles C4'-P-C4' energy: -11.862 flat angles P-C4'-P energy: -11.469 tors. eta vs tors. theta energy: -11.607 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: 6 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -201.631116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.631116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.631116 (E_RNA) where: Base-Base interactions energy: -136.023 where: short stacking energy: -60.043 Base-Backbone interact. energy: -0.001 local terms energy: -65.607682 where: bonds (distance) C4'-P energy: -12.671 bonds (distance) P-C4' energy: -14.284 flat angles C4'-P-C4' energy: -12.603 flat angles P-C4'-P energy: -10.202 tors. eta vs tors. theta energy: -15.848 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: 190 Temperature: 1.000000 Total energy: -194.473226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.473226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.473226 (E_RNA) where: Base-Base interactions energy: -137.870 where: short stacking energy: -57.451 Base-Backbone interact. energy: -0.003 local terms energy: -56.599608 where: bonds (distance) C4'-P energy: -8.204 bonds (distance) P-C4' energy: -13.494 flat angles C4'-P-C4' energy: -13.202 flat angles P-C4'-P energy: -5.489 tors. eta vs tors. theta energy: -16.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -179.868863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.868863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.868863 (E_RNA) where: Base-Base interactions energy: -127.282 where: short stacking energy: -47.412 Base-Backbone interact. energy: -0.003 local terms energy: -52.583775 where: bonds (distance) C4'-P energy: -12.639 bonds (distance) P-C4' energy: -11.194 flat angles C4'-P-C4' energy: -11.987 flat angles P-C4'-P energy: -0.236 tors. eta vs tors. theta energy: -16.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -193.180249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.180249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.180249 (E_RNA) where: Base-Base interactions energy: -131.742 where: short stacking energy: -57.694 Base-Backbone interact. energy: -0.719 local terms energy: -60.718997 where: bonds (distance) C4'-P energy: -8.730 bonds (distance) P-C4' energy: -14.420 flat angles C4'-P-C4' energy: -13.513 flat angles P-C4'-P energy: -6.803 tors. eta vs tors. theta energy: -17.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -174.492974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.492974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.492974 (E_RNA) where: Base-Base interactions energy: -121.399 where: short stacking energy: -44.595 Base-Backbone interact. energy: -0.100 local terms energy: -52.994059 where: bonds (distance) C4'-P energy: -10.419 bonds (distance) P-C4' energy: -12.278 flat angles C4'-P-C4' energy: -9.627 flat angles P-C4'-P energy: -5.062 tors. eta vs tors. theta energy: -15.609 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: 2 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -188.010182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.010182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.010182 (E_RNA) where: Base-Base interactions energy: -132.177 where: short stacking energy: -51.256 Base-Backbone interact. energy: -0.338 local terms energy: -55.494653 where: bonds (distance) C4'-P energy: -9.272 bonds (distance) P-C4' energy: -11.380 flat angles C4'-P-C4' energy: -12.501 flat angles P-C4'-P energy: -7.574 tors. eta vs tors. theta energy: -14.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -167.342134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.342134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.342134 (E_RNA) where: Base-Base interactions energy: -115.223 where: short stacking energy: -43.616 Base-Backbone interact. energy: -0.125 local terms energy: -51.994298 where: bonds (distance) C4'-P energy: -13.462 bonds (distance) P-C4' energy: -5.476 flat angles C4'-P-C4' energy: -11.965 flat angles P-C4'-P energy: -10.287 tors. eta vs tors. theta energy: -10.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -63.620275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.620275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.620275 (E_RNA) where: Base-Base interactions energy: -23.242 where: short stacking energy: -21.188 Base-Backbone interact. energy: -0.879 local terms energy: -39.499261 where: bonds (distance) C4'-P energy: -12.385 bonds (distance) P-C4' energy: -11.473 flat angles C4'-P-C4' energy: -6.719 flat angles P-C4'-P energy: -5.925 tors. eta vs tors. theta energy: -2.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -76.644166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.644166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.644166 (E_RNA) where: Base-Base interactions energy: -33.384 where: short stacking energy: -29.830 Base-Backbone interact. energy: -0.008 local terms energy: -43.252331 where: bonds (distance) C4'-P energy: -9.658 bonds (distance) P-C4' energy: -11.352 flat angles C4'-P-C4' energy: -13.184 flat angles P-C4'-P energy: -3.894 tors. eta vs tors. theta energy: -5.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -194.283879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.283879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.283879 (E_RNA) where: Base-Base interactions energy: -134.412 where: short stacking energy: -56.175 Base-Backbone interact. energy: -0.004 local terms energy: -59.867207 where: bonds (distance) C4'-P energy: -11.744 bonds (distance) P-C4' energy: -12.539 flat angles C4'-P-C4' energy: -12.401 flat angles P-C4'-P energy: -9.728 tors. eta vs tors. theta energy: -13.455 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: 1 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -203.971070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.971070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.971070 (E_RNA) where: Base-Base interactions energy: -138.524 where: short stacking energy: -59.726 Base-Backbone interact. energy: -0.012 local terms energy: -65.435034 where: bonds (distance) C4'-P energy: -14.278 bonds (distance) P-C4' energy: -13.597 flat angles C4'-P-C4' energy: -13.594 flat angles P-C4'-P energy: -7.294 tors. eta vs tors. theta energy: -16.673 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: 6 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -199.580127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.580127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.580127 (E_RNA) where: Base-Base interactions energy: -139.639 where: short stacking energy: -61.123 Base-Backbone interact. energy: -0.001 local terms energy: -59.939438 where: bonds (distance) C4'-P energy: -9.447 bonds (distance) P-C4' energy: -10.473 flat angles C4'-P-C4' energy: -15.030 flat angles P-C4'-P energy: -9.347 tors. eta vs tors. theta energy: -15.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -196.569509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.569509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.569509 (E_RNA) where: Base-Base interactions energy: -133.819 where: short stacking energy: -55.997 Base-Backbone interact. energy: 0.549 local terms energy: -63.300088 where: bonds (distance) C4'-P energy: -10.804 bonds (distance) P-C4' energy: -10.790 flat angles C4'-P-C4' energy: -11.589 flat angles P-C4'-P energy: -11.574 tors. eta vs tors. theta energy: -18.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -188.200700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.200700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.200700 (E_RNA) where: Base-Base interactions energy: -132.559 where: short stacking energy: -58.023 Base-Backbone interact. energy: -0.000 local terms energy: -55.641495 where: bonds (distance) C4'-P energy: -8.595 bonds (distance) P-C4' energy: -10.870 flat angles C4'-P-C4' energy: -11.171 flat angles P-C4'-P energy: -8.462 tors. eta vs tors. theta energy: -16.544 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: 2 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -183.686282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.686282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.686282 (E_RNA) where: Base-Base interactions energy: -123.876 where: short stacking energy: -56.274 Base-Backbone interact. energy: -0.013 local terms energy: -59.797066 where: bonds (distance) C4'-P energy: -13.367 bonds (distance) P-C4' energy: -13.088 flat angles C4'-P-C4' energy: -13.441 flat angles P-C4'-P energy: -8.085 tors. eta vs tors. theta energy: -11.816 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: 7, replica: 5 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -161.020045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.020045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.020045 (E_RNA) where: Base-Base interactions energy: -107.153 where: short stacking energy: -40.297 Base-Backbone interact. energy: -0.104 local terms energy: -53.762321 where: bonds (distance) C4'-P energy: -12.120 bonds (distance) P-C4' energy: -14.159 flat angles C4'-P-C4' energy: -10.377 flat angles P-C4'-P energy: -9.534 tors. eta vs tors. theta energy: -7.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -166.928716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.928716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.928716 (E_RNA) where: Base-Base interactions energy: -106.751 where: short stacking energy: -46.924 Base-Backbone interact. energy: -0.114 local terms energy: -60.063552 where: bonds (distance) C4'-P energy: -14.278 bonds (distance) P-C4' energy: -13.015 flat angles C4'-P-C4' energy: -12.661 flat angles P-C4'-P energy: -7.014 tors. eta vs tors. theta energy: -13.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -66.234588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.234588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.234588 (E_RNA) where: Base-Base interactions energy: -24.332 where: short stacking energy: -24.332 Base-Backbone interact. energy: -0.176 local terms energy: -41.726487 where: bonds (distance) C4'-P energy: -11.984 bonds (distance) P-C4' energy: -13.279 flat angles C4'-P-C4' energy: -7.601 flat angles P-C4'-P energy: -5.622 tors. eta vs tors. theta energy: -3.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -67.048492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.048492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.048492 (E_RNA) where: Base-Base interactions energy: -23.705 where: short stacking energy: -23.705 Base-Backbone interact. energy: -0.124 local terms energy: -43.219445 where: bonds (distance) C4'-P energy: -11.828 bonds (distance) P-C4' energy: -14.659 flat angles C4'-P-C4' energy: -9.393 flat angles P-C4'-P energy: -5.558 tors. eta vs tors. theta energy: -1.781 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: 1, replica: 1 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -205.370631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.370631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.370631 (E_RNA) where: Base-Base interactions energy: -143.464 where: short stacking energy: -63.771 Base-Backbone interact. energy: -0.001 local terms energy: -61.905175 where: bonds (distance) C4'-P energy: -10.594 bonds (distance) P-C4' energy: -11.440 flat angles C4'-P-C4' energy: -13.757 flat angles P-C4'-P energy: -6.743 tors. eta vs tors. theta energy: -19.371 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: 10 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -198.103258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.103258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.103258 (E_RNA) where: Base-Base interactions energy: -138.245 where: short stacking energy: -50.596 Base-Backbone interact. energy: -0.004 local terms energy: -59.854268 where: bonds (distance) C4'-P energy: -12.597 bonds (distance) P-C4' energy: -8.495 flat angles C4'-P-C4' energy: -12.400 flat angles P-C4'-P energy: -9.892 tors. eta vs tors. theta energy: -16.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -189.967972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.967972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.967972 (E_RNA) where: Base-Base interactions energy: -126.682 where: short stacking energy: -52.580 Base-Backbone interact. energy: -0.113 local terms energy: -63.172641 where: bonds (distance) C4'-P energy: -13.496 bonds (distance) P-C4' energy: -12.093 flat angles C4'-P-C4' energy: -12.702 flat angles P-C4'-P energy: -9.961 tors. eta vs tors. theta energy: -14.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -194.647604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.647604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.647604 (E_RNA) where: Base-Base interactions energy: -132.088 where: short stacking energy: -54.263 Base-Backbone interact. energy: -0.003 local terms energy: -62.556585 where: bonds (distance) C4'-P energy: -10.701 bonds (distance) P-C4' energy: -13.110 flat angles C4'-P-C4' energy: -12.607 flat angles P-C4'-P energy: -10.397 tors. eta vs tors. theta energy: -15.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -185.059629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.059629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.059629 (E_RNA) where: Base-Base interactions energy: -121.840 where: short stacking energy: -49.798 Base-Backbone interact. energy: -0.960 local terms energy: -62.259609 where: bonds (distance) C4'-P energy: -8.597 bonds (distance) P-C4' energy: -15.840 flat angles C4'-P-C4' energy: -13.059 flat angles P-C4'-P energy: -10.003 tors. eta vs tors. theta energy: -14.760 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: 4 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -180.498867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.498867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.498867 (E_RNA) where: Base-Base interactions energy: -122.549 where: short stacking energy: -55.006 Base-Backbone interact. energy: -0.105 local terms energy: -57.844545 where: bonds (distance) C4'-P energy: -12.034 bonds (distance) P-C4' energy: -13.131 flat angles C4'-P-C4' energy: -12.511 flat angles P-C4'-P energy: -5.583 tors. eta vs tors. theta energy: -14.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -172.870626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.870626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.870626 (E_RNA) where: Base-Base interactions energy: -117.721 where: short stacking energy: -44.061 Base-Backbone interact. energy: 0.521 local terms energy: -55.670307 where: bonds (distance) C4'-P energy: -11.035 bonds (distance) P-C4' energy: -12.113 flat angles C4'-P-C4' energy: -13.193 flat angles P-C4'-P energy: -6.015 tors. eta vs tors. theta energy: -13.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -166.339399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.339399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.339399 (E_RNA) where: Base-Base interactions energy: -112.985 where: short stacking energy: -49.314 Base-Backbone interact. energy: 2.299 local terms energy: -55.653496 where: bonds (distance) C4'-P energy: -14.472 bonds (distance) P-C4' energy: -12.162 flat angles C4'-P-C4' energy: -12.184 flat angles P-C4'-P energy: -4.561 tors. eta vs tors. theta energy: -12.275 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: 3 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -84.478089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.478089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.478089 (E_RNA) where: Base-Base interactions energy: -34.879 where: short stacking energy: -34.879 Base-Backbone interact. energy: -0.012 local terms energy: -49.587586 where: bonds (distance) C4'-P energy: -11.562 bonds (distance) P-C4' energy: -11.321 flat angles C4'-P-C4' energy: -11.733 flat angles P-C4'-P energy: -7.888 tors. eta vs tors. theta energy: -7.084 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: 8 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -59.614466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.614466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.614466 (E_RNA) where: Base-Base interactions energy: -24.966 where: short stacking energy: -20.478 Base-Backbone interact. energy: -0.019 local terms energy: -34.629142 where: bonds (distance) C4'-P energy: -7.844 bonds (distance) P-C4' energy: -10.461 flat angles C4'-P-C4' energy: -10.323 flat angles P-C4'-P energy: -7.898 tors. eta vs tors. theta energy: 1.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -202.522044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.522044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.522044 (E_RNA) where: Base-Base interactions energy: -136.407 where: short stacking energy: -56.986 Base-Backbone interact. energy: -0.008 local terms energy: -66.106932 where: bonds (distance) C4'-P energy: -12.349 bonds (distance) P-C4' energy: -14.327 flat angles C4'-P-C4' energy: -13.769 flat angles P-C4'-P energy: -7.958 tors. eta vs tors. theta energy: -17.703 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: 10 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -197.718628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.718628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.718628 (E_RNA) where: Base-Base interactions energy: -133.524 where: short stacking energy: -62.160 Base-Backbone interact. energy: -0.007 local terms energy: -64.187645 where: bonds (distance) C4'-P energy: -11.202 bonds (distance) P-C4' energy: -15.115 flat angles C4'-P-C4' energy: -15.004 flat angles P-C4'-P energy: -6.677 tors. eta vs tors. theta energy: -16.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -200.581375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.581375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.581375 (E_RNA) where: Base-Base interactions energy: -136.505 where: short stacking energy: -60.153 Base-Backbone interact. energy: -0.002 local terms energy: -64.074498 where: bonds (distance) C4'-P energy: -14.509 bonds (distance) P-C4' energy: -13.046 flat angles C4'-P-C4' energy: -14.048 flat angles P-C4'-P energy: -6.341 tors. eta vs tors. theta energy: -16.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -192.301621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.301621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.301621 (E_RNA) where: Base-Base interactions energy: -140.377 where: short stacking energy: -60.645 Base-Backbone interact. energy: -0.001 local terms energy: -51.923406 where: bonds (distance) C4'-P energy: -10.726 bonds (distance) P-C4' energy: -14.318 flat angles C4'-P-C4' energy: -9.383 flat angles P-C4'-P energy: -1.275 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: 5, replica: 6 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -187.884742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.884742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.884742 (E_RNA) where: Base-Base interactions energy: -130.186 where: short stacking energy: -53.869 Base-Backbone interact. energy: -0.003 local terms energy: -57.696505 where: bonds (distance) C4'-P energy: -8.406 bonds (distance) P-C4' energy: -12.716 flat angles C4'-P-C4' energy: -12.219 flat angles P-C4'-P energy: -8.783 tors. eta vs tors. theta energy: -15.574 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: 7 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -185.473959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.473959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.473959 (E_RNA) where: Base-Base interactions energy: -133.074 where: short stacking energy: -54.324 Base-Backbone interact. energy: -0.021 local terms energy: -52.379133 where: bonds (distance) C4'-P energy: -5.256 bonds (distance) P-C4' energy: -14.156 flat angles C4'-P-C4' energy: -10.123 flat angles P-C4'-P energy: -5.230 tors. eta vs tors. theta energy: -17.615 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: 4 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -177.746633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.746633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.746633 (E_RNA) where: Base-Base interactions energy: -122.139 where: short stacking energy: -50.546 Base-Backbone interact. energy: -0.002 local terms energy: -55.605898 where: bonds (distance) C4'-P energy: -11.271 bonds (distance) P-C4' energy: -11.091 flat angles C4'-P-C4' energy: -13.327 flat angles P-C4'-P energy: -5.400 tors. eta vs tors. theta energy: -14.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -184.717819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.717819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.717819 (E_RNA) where: Base-Base interactions energy: -131.940 where: short stacking energy: -47.174 Base-Backbone interact. energy: -0.007 local terms energy: -52.770725 where: bonds (distance) C4'-P energy: -8.932 bonds (distance) P-C4' energy: -9.840 flat angles C4'-P-C4' energy: -12.414 flat angles P-C4'-P energy: -9.199 tors. eta vs tors. theta energy: -12.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -68.511060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.511060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.511060 (E_RNA) where: Base-Base interactions energy: -22.582 where: short stacking energy: -22.582 Base-Backbone interact. energy: -0.132 local terms energy: -45.797196 where: bonds (distance) C4'-P energy: -10.283 bonds (distance) P-C4' energy: -10.340 flat angles C4'-P-C4' energy: -12.387 flat angles P-C4'-P energy: -9.537 tors. eta vs tors. theta energy: -3.249 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: 8 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -67.630579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.630579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.630579 (E_RNA) where: Base-Base interactions energy: -21.367 where: short stacking energy: -17.457 Base-Backbone interact. energy: -0.080 local terms energy: -46.184201 where: bonds (distance) C4'-P energy: -8.974 bonds (distance) P-C4' energy: -14.029 flat angles C4'-P-C4' energy: -11.138 flat angles P-C4'-P energy: -9.986 tors. eta vs tors. theta energy: -2.056 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: 1 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -205.109812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.109812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.109812 (E_RNA) where: Base-Base interactions energy: -142.969 where: short stacking energy: -61.730 Base-Backbone interact. energy: -0.158 local terms energy: -61.982428 where: bonds (distance) C4'-P energy: -12.589 bonds (distance) P-C4' energy: -12.581 flat angles C4'-P-C4' energy: -13.147 flat angles P-C4'-P energy: -8.718 tors. eta vs tors. theta energy: -14.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -203.899237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.899237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.899237 (E_RNA) where: Base-Base interactions energy: -143.173 where: short stacking energy: -61.527 Base-Backbone interact. energy: -0.014 local terms energy: -60.711868 where: bonds (distance) C4'-P energy: -12.014 bonds (distance) P-C4' energy: -13.166 flat angles C4'-P-C4' energy: -11.916 flat angles P-C4'-P energy: -8.368 tors. eta vs tors. theta energy: -15.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -195.389063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.389063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.389063 (E_RNA) where: Base-Base interactions energy: -135.118 where: short stacking energy: -55.410 Base-Backbone interact. energy: -1.056 local terms energy: -59.215108 where: bonds (distance) C4'-P energy: -12.142 bonds (distance) P-C4' energy: -13.610 flat angles C4'-P-C4' energy: -10.941 flat angles P-C4'-P energy: -7.522 tors. eta vs tors. theta energy: -15.001 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: 2 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -194.819745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.819745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.819745 (E_RNA) where: Base-Base interactions energy: -132.735 where: short stacking energy: -58.008 Base-Backbone interact. energy: -0.165 local terms energy: -61.920310 where: bonds (distance) C4'-P energy: -11.704 bonds (distance) P-C4' energy: -13.043 flat angles C4'-P-C4' energy: -14.625 flat angles P-C4'-P energy: -9.065 tors. eta vs tors. theta energy: -13.484 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: 7 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -194.830470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.830470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.830470 (E_RNA) where: Base-Base interactions energy: -132.997 where: short stacking energy: -60.898 Base-Backbone interact. energy: 1.521 local terms energy: -63.354899 where: bonds (distance) C4'-P energy: -13.764 bonds (distance) P-C4' energy: -11.088 flat angles C4'-P-C4' energy: -13.834 flat angles P-C4'-P energy: -10.149 tors. eta vs tors. theta energy: -14.520 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: 194 Temperature: 1.150000 Total energy: -188.733499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.733499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.733499 (E_RNA) where: Base-Base interactions energy: -131.275 where: short stacking energy: -53.055 Base-Backbone interact. energy: 0.514 local terms energy: -57.972495 where: bonds (distance) C4'-P energy: -11.455 bonds (distance) P-C4' energy: -12.570 flat angles C4'-P-C4' energy: -13.458 flat angles P-C4'-P energy: -5.747 tors. eta vs tors. theta energy: -14.742 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: 5 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -183.888726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.888726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.888726 (E_RNA) where: Base-Base interactions energy: -128.024 where: short stacking energy: -55.401 Base-Backbone interact. energy: -0.003 local terms energy: -55.861785 where: bonds (distance) C4'-P energy: -12.357 bonds (distance) P-C4' energy: -10.825 flat angles C4'-P-C4' energy: -9.907 flat angles P-C4'-P energy: -9.739 tors. eta vs tors. theta energy: -13.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -159.915187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.915187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.915187 (E_RNA) where: Base-Base interactions energy: -111.994 where: short stacking energy: -44.271 Base-Backbone interact. energy: -0.258 local terms energy: -47.663316 where: bonds (distance) C4'-P energy: -9.048 bonds (distance) P-C4' energy: -13.014 flat angles C4'-P-C4' energy: -6.946 flat angles P-C4'-P energy: -8.898 tors. eta vs tors. theta energy: -9.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -72.726421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.726421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.726421 (E_RNA) where: Base-Base interactions energy: -23.650 where: short stacking energy: -15.511 Base-Backbone interact. energy: -0.019 local terms energy: -49.056884 where: bonds (distance) C4'-P energy: -10.031 bonds (distance) P-C4' energy: -13.607 flat angles C4'-P-C4' energy: -10.148 flat angles P-C4'-P energy: -8.321 tors. eta vs tors. theta energy: -6.951 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: 8 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -64.395388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.395388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.395388 (E_RNA) where: Base-Base interactions energy: -20.560 where: short stacking energy: -16.040 Base-Backbone interact. energy: -0.167 local terms energy: -43.668544 where: bonds (distance) C4'-P energy: -13.309 bonds (distance) P-C4' energy: -12.398 flat angles C4'-P-C4' energy: -12.701 flat angles P-C4'-P energy: -4.600 tors. eta vs tors. theta energy: -0.660 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: 1, replica: 1 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -203.074575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.074575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.074575 (E_RNA) where: Base-Base interactions energy: -140.693 where: short stacking energy: -59.371 Base-Backbone interact. energy: -0.001 local terms energy: -62.380818 where: bonds (distance) C4'-P energy: -13.388 bonds (distance) P-C4' energy: -11.331 flat angles C4'-P-C4' energy: -14.201 flat angles P-C4'-P energy: -6.919 tors. eta vs tors. theta energy: -16.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -199.730938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.730938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.730938 (E_RNA) where: Base-Base interactions energy: -139.060 where: short stacking energy: -58.209 Base-Backbone interact. energy: 1.305 local terms energy: -61.975974 where: bonds (distance) C4'-P energy: -13.011 bonds (distance) P-C4' energy: -14.224 flat angles C4'-P-C4' energy: -12.696 flat angles P-C4'-P energy: -6.796 tors. eta vs tors. theta energy: -15.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -200.583138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.583138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.583138 (E_RNA) where: Base-Base interactions energy: -137.268 where: short stacking energy: -58.960 Base-Backbone interact. energy: -0.001 local terms energy: -63.314542 where: bonds (distance) C4'-P energy: -12.907 bonds (distance) P-C4' energy: -13.078 flat angles C4'-P-C4' energy: -11.754 flat angles P-C4'-P energy: -9.448 tors. eta vs tors. theta energy: -16.128 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: 4, replica: 7 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -197.230087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.230087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.230087 (E_RNA) where: Base-Base interactions energy: -134.566 where: short stacking energy: -57.220 Base-Backbone interact. energy: -0.008 local terms energy: -62.655596 where: bonds (distance) C4'-P energy: -12.022 bonds (distance) P-C4' energy: -14.678 flat angles C4'-P-C4' energy: -13.628 flat angles P-C4'-P energy: -8.209 tors. eta vs tors. theta energy: -14.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -185.753279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.753279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.753279 (E_RNA) where: Base-Base interactions energy: -130.567 where: short stacking energy: -54.281 Base-Backbone interact. energy: -0.503 local terms energy: -54.683368 where: bonds (distance) C4'-P energy: -6.714 bonds (distance) P-C4' energy: -11.889 flat angles C4'-P-C4' energy: -14.350 flat angles P-C4'-P energy: -5.587 tors. eta vs tors. theta energy: -16.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -192.910190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.910190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.910190 (E_RNA) where: Base-Base interactions energy: -136.562 where: short stacking energy: -59.994 Base-Backbone interact. energy: -0.114 local terms energy: -56.233378 where: bonds (distance) C4'-P energy: -11.202 bonds (distance) P-C4' energy: -10.697 flat angles C4'-P-C4' energy: -14.033 flat angles P-C4'-P energy: -4.727 tors. eta vs tors. theta energy: -15.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -175.560373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.560373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.560373 (E_RNA) where: Base-Base interactions energy: -110.387 where: short stacking energy: -46.233 Base-Backbone interact. energy: -0.002 local terms energy: -65.171410 where: bonds (distance) C4'-P energy: -12.377 bonds (distance) P-C4' energy: -14.389 flat angles C4'-P-C4' energy: -13.191 flat angles P-C4'-P energy: -11.486 tors. eta vs tors. theta energy: -13.729 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: 4 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -168.554814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.554814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.554814 (E_RNA) where: Base-Base interactions energy: -117.683 where: short stacking energy: -51.407 Base-Backbone interact. energy: -0.009 local terms energy: -50.862547 where: bonds (distance) C4'-P energy: -11.185 bonds (distance) P-C4' energy: -10.544 flat angles C4'-P-C4' energy: -12.232 flat angles P-C4'-P energy: -6.333 tors. eta vs tors. theta energy: -10.569 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: 3 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -69.742813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.742813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.742813 (E_RNA) where: Base-Base interactions energy: -33.308 where: short stacking energy: -30.571 Base-Backbone interact. energy: -0.011 local terms energy: -36.423423 where: bonds (distance) C4'-P energy: -7.501 bonds (distance) P-C4' energy: -12.095 flat angles C4'-P-C4' energy: -10.620 flat angles P-C4'-P energy: -2.466 tors. eta vs tors. theta energy: -3.742 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: 10, replica: 8 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -73.586950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.586950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.586950 (E_RNA) where: Base-Base interactions energy: -38.395 where: short stacking energy: -21.444 Base-Backbone interact. energy: 2.053 local terms energy: -37.245000 where: bonds (distance) C4'-P energy: -11.818 bonds (distance) P-C4' energy: -11.123 flat angles C4'-P-C4' energy: -9.975 flat angles P-C4'-P energy: 0.014 tors. eta vs tors. theta energy: -4.344 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: 1, replica: 9 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -200.722024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.722024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.722024 (E_RNA) where: Base-Base interactions energy: -141.063 where: short stacking energy: -58.158 Base-Backbone interact. energy: 1.069 local terms energy: -60.728152 where: bonds (distance) C4'-P energy: -11.719 bonds (distance) P-C4' energy: -13.243 flat angles C4'-P-C4' energy: -12.864 flat angles P-C4'-P energy: -7.633 tors. eta vs tors. theta energy: -15.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -203.476768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.476768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.476768 (E_RNA) where: Base-Base interactions energy: -142.459 where: short stacking energy: -60.740 Base-Backbone interact. energy: -0.042 local terms energy: -60.975807 where: bonds (distance) C4'-P energy: -13.434 bonds (distance) P-C4' energy: -13.318 flat angles C4'-P-C4' energy: -11.876 flat angles P-C4'-P energy: -5.622 tors. eta vs tors. theta energy: -16.726 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: 7 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -193.625974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.625974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.625974 (E_RNA) where: Base-Base interactions energy: -131.964 where: short stacking energy: -54.361 Base-Backbone interact. energy: -0.003 local terms energy: -61.659332 where: bonds (distance) C4'-P energy: -12.442 bonds (distance) P-C4' energy: -13.371 flat angles C4'-P-C4' energy: -11.796 flat angles P-C4'-P energy: -7.821 tors. eta vs tors. theta energy: -16.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -188.655810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.655810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.655810 (E_RNA) where: Base-Base interactions energy: -129.344 where: short stacking energy: -57.630 Base-Backbone interact. energy: -0.002 local terms energy: -59.309385 where: bonds (distance) C4'-P energy: -11.686 bonds (distance) P-C4' energy: -14.867 flat angles C4'-P-C4' energy: -12.379 flat angles P-C4'-P energy: -8.371 tors. eta vs tors. theta energy: -12.006 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: 2 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -196.101109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.101109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.101109 (E_RNA) where: Base-Base interactions energy: -136.857 where: short stacking energy: -57.610 Base-Backbone interact. energy: -0.001 local terms energy: -59.242986 where: bonds (distance) C4'-P energy: -11.852 bonds (distance) P-C4' energy: -11.061 flat angles C4'-P-C4' energy: -10.920 flat angles P-C4'-P energy: -9.570 tors. eta vs tors. theta energy: -15.841 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: 5 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -188.781378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.781378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.781378 (E_RNA) where: Base-Base interactions energy: -127.326 where: short stacking energy: -61.488 Base-Backbone interact. energy: 0.161 local terms energy: -61.616115 where: bonds (distance) C4'-P energy: -12.170 bonds (distance) P-C4' energy: -10.795 flat angles C4'-P-C4' energy: -14.027 flat angles P-C4'-P energy: -9.390 tors. eta vs tors. theta energy: -15.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -177.222857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.222857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.222857 (E_RNA) where: Base-Base interactions energy: -125.979 where: short stacking energy: -45.218 Base-Backbone interact. energy: -0.068 local terms energy: -51.176052 where: bonds (distance) C4'-P energy: -11.015 bonds (distance) P-C4' energy: -10.929 flat angles C4'-P-C4' energy: -8.872 flat angles P-C4'-P energy: -7.302 tors. eta vs tors. theta energy: -13.058 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: 6 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -159.825245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.825245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.825245 (E_RNA) where: Base-Base interactions energy: -110.494 where: short stacking energy: -44.321 Base-Backbone interact. energy: -0.226 local terms energy: -49.104879 where: bonds (distance) C4'-P energy: -10.705 bonds (distance) P-C4' energy: -10.693 flat angles C4'-P-C4' energy: -12.581 flat angles P-C4'-P energy: -5.546 tors. eta vs tors. theta energy: -9.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -77.832769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.832769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.832769 (E_RNA) where: Base-Base interactions energy: -31.580 where: short stacking energy: -31.483 Base-Backbone interact. energy: -0.012 local terms energy: -46.241248 where: bonds (distance) C4'-P energy: -12.965 bonds (distance) P-C4' energy: -12.809 flat angles C4'-P-C4' energy: -8.590 flat angles P-C4'-P energy: -6.916 tors. eta vs tors. theta energy: -4.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -67.975569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.975569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.975569 (E_RNA) where: Base-Base interactions energy: -27.226 where: short stacking energy: -27.226 Base-Backbone interact. energy: -0.002 local terms energy: -40.747216 where: bonds (distance) C4'-P energy: -11.296 bonds (distance) P-C4' energy: -9.890 flat angles C4'-P-C4' energy: -10.843 flat angles P-C4'-P energy: -3.113 tors. eta vs tors. theta energy: -5.605 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: 1, replica: 9 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -205.744700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.744700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.744700 (E_RNA) where: Base-Base interactions energy: -140.784 where: short stacking energy: -61.013 Base-Backbone interact. energy: -0.030 local terms energy: -64.930429 where: bonds (distance) C4'-P energy: -12.935 bonds (distance) P-C4' energy: -11.324 flat angles C4'-P-C4' energy: -13.398 flat angles P-C4'-P energy: -11.748 tors. eta vs tors. theta energy: -15.525 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: 2, replica: 7 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -199.408210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.408210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.408210 (E_RNA) where: Base-Base interactions energy: -138.394 where: short stacking energy: -56.947 Base-Backbone interact. energy: -0.006 local terms energy: -61.008342 where: bonds (distance) C4'-P energy: -9.885 bonds (distance) P-C4' energy: -13.116 flat angles C4'-P-C4' energy: -12.873 flat angles P-C4'-P energy: -9.148 tors. eta vs tors. theta energy: -15.985 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: 197 Temperature: 1.000000 Total energy: -196.523762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.523762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.523762 (E_RNA) where: Base-Base interactions energy: -137.086 where: short stacking energy: -58.610 Base-Backbone interact. energy: -0.078 local terms energy: -59.360422 where: bonds (distance) C4'-P energy: -12.894 bonds (distance) P-C4' energy: -10.424 flat angles C4'-P-C4' energy: -13.751 flat angles P-C4'-P energy: -8.912 tors. eta vs tors. theta energy: -13.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -191.760186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.760186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.760186 (E_RNA) where: Base-Base interactions energy: -133.851 where: short stacking energy: -56.756 Base-Backbone interact. energy: -0.254 local terms energy: -57.654456 where: bonds (distance) C4'-P energy: -9.376 bonds (distance) P-C4' energy: -11.504 flat angles C4'-P-C4' energy: -13.588 flat angles P-C4'-P energy: -9.932 tors. eta vs tors. theta energy: -13.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -176.894190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.894190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.894190 (E_RNA) where: Base-Base interactions energy: -126.488 where: short stacking energy: -47.437 Base-Backbone interact. energy: -0.261 local terms energy: -50.144781 where: bonds (distance) C4'-P energy: -13.542 bonds (distance) P-C4' energy: -6.148 flat angles C4'-P-C4' energy: -12.204 flat angles P-C4'-P energy: -8.080 tors. eta vs tors. theta energy: -10.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -180.507491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.507491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.507491 (E_RNA) where: Base-Base interactions energy: -124.829 where: short stacking energy: -47.028 Base-Backbone interact. energy: -0.119 local terms energy: -55.559193 where: bonds (distance) C4'-P energy: -9.094 bonds (distance) P-C4' energy: -11.839 flat angles C4'-P-C4' energy: -12.138 flat angles P-C4'-P energy: -10.530 tors. eta vs tors. theta energy: -11.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -191.499845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.499845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.499845 (E_RNA) where: Base-Base interactions energy: -136.725 where: short stacking energy: -56.829 Base-Backbone interact. energy: -0.120 local terms energy: -54.654970 where: bonds (distance) C4'-P energy: -7.905 bonds (distance) P-C4' energy: -8.542 flat angles C4'-P-C4' energy: -13.480 flat angles P-C4'-P energy: -6.571 tors. eta vs tors. theta energy: -18.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -173.583615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.583615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.583615 (E_RNA) where: Base-Base interactions energy: -122.403 where: short stacking energy: -44.819 Base-Backbone interact. energy: -0.137 local terms energy: -51.043420 where: bonds (distance) C4'-P energy: -9.910 bonds (distance) P-C4' energy: -10.169 flat angles C4'-P-C4' energy: -10.076 flat angles P-C4'-P energy: -9.752 tors. eta vs tors. theta energy: -11.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -59.788110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.788110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.788110 (E_RNA) where: Base-Base interactions energy: -17.469 where: short stacking energy: -17.469 Base-Backbone interact. energy: -0.149 local terms energy: -42.169552 where: bonds (distance) C4'-P energy: -12.225 bonds (distance) P-C4' energy: -11.260 flat angles C4'-P-C4' energy: -11.184 flat angles P-C4'-P energy: -8.155 tors. eta vs tors. theta energy: 0.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -62.876596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.876596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.876596 (E_RNA) where: Base-Base interactions energy: -26.255 where: short stacking energy: -26.177 Base-Backbone interact. energy: 0.334 local terms energy: -36.955754 where: bonds (distance) C4'-P energy: -8.937 bonds (distance) P-C4' energy: -11.721 flat angles C4'-P-C4' energy: -3.540 flat angles P-C4'-P energy: -7.338 tors. eta vs tors. theta energy: -5.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -197.017231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.017231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.017231 (E_RNA) where: Base-Base interactions energy: -142.038 where: short stacking energy: -60.868 Base-Backbone interact. energy: -0.111 local terms energy: -54.868460 where: bonds (distance) C4'-P energy: -10.266 bonds (distance) P-C4' energy: -10.035 flat angles C4'-P-C4' energy: -12.461 flat angles P-C4'-P energy: -5.794 tors. eta vs tors. theta energy: -16.313 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: 2, replica: 9 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -201.512136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.512136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.512136 (E_RNA) where: Base-Base interactions energy: -142.905 where: short stacking energy: -61.599 Base-Backbone interact. energy: -0.012 local terms energy: -58.595546 where: bonds (distance) C4'-P energy: -10.360 bonds (distance) P-C4' energy: -9.049 flat angles C4'-P-C4' energy: -12.418 flat angles P-C4'-P energy: -9.387 tors. eta vs tors. theta energy: -17.381 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: 3, replica: 2 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -188.690742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.690742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.690742 (E_RNA) where: Base-Base interactions energy: -129.445 where: short stacking energy: -50.587 Base-Backbone interact. energy: -0.042 local terms energy: -59.203403 where: bonds (distance) C4'-P energy: -12.410 bonds (distance) P-C4' energy: -12.522 flat angles C4'-P-C4' energy: -11.458 flat angles P-C4'-P energy: -7.131 tors. eta vs tors. theta energy: -15.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -179.845032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.845032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.845032 (E_RNA) where: Base-Base interactions energy: -121.255 where: short stacking energy: -52.523 Base-Backbone interact. energy: -0.057 local terms energy: -58.533041 where: bonds (distance) C4'-P energy: -9.716 bonds (distance) P-C4' energy: -11.264 flat angles C4'-P-C4' energy: -14.225 flat angles P-C4'-P energy: -10.201 tors. eta vs tors. theta energy: -13.127 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: 5, replica: 4 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -189.787152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.787152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.787152 (E_RNA) where: Base-Base interactions energy: -133.046 where: short stacking energy: -55.039 Base-Backbone interact. energy: 0.550 local terms energy: -57.291094 where: bonds (distance) C4'-P energy: -10.217 bonds (distance) P-C4' energy: -13.114 flat angles C4'-P-C4' energy: -11.471 flat angles P-C4'-P energy: -6.660 tors. eta vs tors. theta energy: -15.829 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: 10 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -174.086987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.086987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.086987 (E_RNA) where: Base-Base interactions energy: -119.232 where: short stacking energy: -55.734 Base-Backbone interact. energy: -0.001 local terms energy: -54.853959 where: bonds (distance) C4'-P energy: -9.651 bonds (distance) P-C4' energy: -8.917 flat angles C4'-P-C4' energy: -12.793 flat angles P-C4'-P energy: -10.519 tors. eta vs tors. theta energy: -12.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -180.222934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.222934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.222934 (E_RNA) where: Base-Base interactions energy: -123.507 where: short stacking energy: -49.693 Base-Backbone interact. energy: -0.028 local terms energy: -56.687283 where: bonds (distance) C4'-P energy: -12.969 bonds (distance) P-C4' energy: -13.269 flat angles C4'-P-C4' energy: -11.583 flat angles P-C4'-P energy: -6.908 tors. eta vs tors. theta energy: -11.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -170.801710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.801710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.801710 (E_RNA) where: Base-Base interactions energy: -126.509 where: short stacking energy: -51.251 Base-Backbone interact. energy: -0.008 local terms energy: -44.285206 where: bonds (distance) C4'-P energy: -6.993 bonds (distance) P-C4' energy: -8.911 flat angles C4'-P-C4' energy: -8.987 flat angles P-C4'-P energy: -4.164 tors. eta vs tors. theta energy: -15.231 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: 3 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -72.780975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.780975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.780975 (E_RNA) where: Base-Base interactions energy: -32.763 where: short stacking energy: -17.689 Base-Backbone interact. energy: -0.531 local terms energy: -39.486361 where: bonds (distance) C4'-P energy: -12.042 bonds (distance) P-C4' energy: -11.937 flat angles C4'-P-C4' energy: -6.714 flat angles P-C4'-P energy: -11.060 tors. eta vs tors. theta energy: 2.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -67.279851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.279851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.279851 (E_RNA) where: Base-Base interactions energy: -28.340 where: short stacking energy: -22.010 Base-Backbone interact. energy: -0.087 local terms energy: -38.852959 where: bonds (distance) C4'-P energy: -8.130 bonds (distance) P-C4' energy: -12.463 flat angles C4'-P-C4' energy: -11.915 flat angles P-C4'-P energy: -3.578 tors. eta vs tors. theta energy: -2.767 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: 7 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -207.007679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.007679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.007679 (E_RNA) where: Base-Base interactions energy: -140.093 where: short stacking energy: -61.937 Base-Backbone interact. energy: -0.003 local terms energy: -66.912345 where: bonds (distance) C4'-P energy: -12.909 bonds (distance) P-C4' energy: -14.234 flat angles C4'-P-C4' energy: -11.119 flat angles P-C4'-P energy: -10.753 tors. eta vs tors. theta energy: -17.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -210.157491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.157491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.157491 (E_RNA) where: Base-Base interactions energy: -141.772 where: short stacking energy: -59.640 Base-Backbone interact. energy: -0.006 local terms energy: -68.379521 where: bonds (distance) C4'-P energy: -13.744 bonds (distance) P-C4' energy: -12.886 flat angles C4'-P-C4' energy: -15.264 flat angles P-C4'-P energy: -9.803 tors. eta vs tors. theta energy: -16.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -198.499992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.499992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.499992 (E_RNA) where: Base-Base interactions energy: -129.181 where: short stacking energy: -56.797 Base-Backbone interact. energy: -0.122 local terms energy: -69.197053 where: bonds (distance) C4'-P energy: -13.558 bonds (distance) P-C4' energy: -15.601 flat angles C4'-P-C4' energy: -12.909 flat angles P-C4'-P energy: -10.594 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: 4, replica: 1 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -171.684083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.684083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.684083 (E_RNA) where: Base-Base interactions energy: -125.039 where: short stacking energy: -49.048 Base-Backbone interact. energy: -0.104 local terms energy: -46.540395 where: bonds (distance) C4'-P energy: -8.595 bonds (distance) P-C4' energy: -11.269 flat angles C4'-P-C4' energy: -9.729 flat angles P-C4'-P energy: -5.417 tors. eta vs tors. theta energy: -11.531 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: 4 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -190.682392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.682392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.682392 (E_RNA) where: Base-Base interactions energy: -136.836 where: short stacking energy: -61.057 Base-Backbone interact. energy: -0.001 local terms energy: -53.845486 where: bonds (distance) C4'-P energy: -7.509 bonds (distance) P-C4' energy: -10.481 flat angles C4'-P-C4' energy: -10.568 flat angles P-C4'-P energy: -10.480 tors. eta vs tors. theta energy: -14.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -183.050696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.050696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.050696 (E_RNA) where: Base-Base interactions energy: -130.354 where: short stacking energy: -50.630 Base-Backbone interact. energy: -0.103 local terms energy: -52.593866 where: bonds (distance) C4'-P energy: -11.300 bonds (distance) P-C4' energy: -12.705 flat angles C4'-P-C4' energy: -10.016 flat angles P-C4'-P energy: -3.673 tors. eta vs tors. theta energy: -14.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -190.736591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.736591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.736591 (E_RNA) where: Base-Base interactions energy: -135.440 where: short stacking energy: -55.042 Base-Backbone interact. energy: -0.174 local terms energy: -55.122429 where: bonds (distance) C4'-P energy: -11.043 bonds (distance) P-C4' energy: -7.720 flat angles C4'-P-C4' energy: -11.838 flat angles P-C4'-P energy: -8.884 tors. eta vs tors. theta energy: -15.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -180.827521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.827521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.827521 (E_RNA) where: Base-Base interactions energy: -123.850 where: short stacking energy: -48.659 Base-Backbone interact. energy: -0.007 local terms energy: -56.970345 where: bonds (distance) C4'-P energy: -11.350 bonds (distance) P-C4' energy: -11.507 flat angles C4'-P-C4' energy: -12.163 flat angles P-C4'-P energy: -10.062 tors. eta vs tors. theta energy: -11.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -65.520170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.520170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.520170 (E_RNA) where: Base-Base interactions energy: -21.794 where: short stacking energy: -19.867 Base-Backbone interact. energy: -0.253 local terms energy: -43.472548 where: bonds (distance) C4'-P energy: -7.609 bonds (distance) P-C4' energy: -10.735 flat angles C4'-P-C4' energy: -12.349 flat angles P-C4'-P energy: -6.296 tors. eta vs tors. theta energy: -6.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -64.523339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.523339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.523339 (E_RNA) where: Base-Base interactions energy: -25.553 where: short stacking energy: -18.876 Base-Backbone interact. energy: -0.805 local terms energy: -38.165946 where: bonds (distance) C4'-P energy: -8.977 bonds (distance) P-C4' energy: -12.042 flat angles C4'-P-C4' energy: -11.675 flat angles P-C4'-P energy: -3.526 tors. eta vs tors. theta energy: -1.945 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: 9 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -205.788826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.788826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.788826 (E_RNA) where: Base-Base interactions energy: -142.126 where: short stacking energy: -60.704 Base-Backbone interact. energy: -0.013 local terms energy: -63.649732 where: bonds (distance) C4'-P energy: -13.793 bonds (distance) P-C4' energy: -11.155 flat angles C4'-P-C4' energy: -12.724 flat angles P-C4'-P energy: -9.266 tors. eta vs tors. theta energy: -16.712 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: 7 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -193.786684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.786684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.786684 (E_RNA) where: Base-Base interactions energy: -126.598 where: short stacking energy: -54.009 Base-Backbone interact. energy: -0.084 local terms energy: -67.104564 where: bonds (distance) C4'-P energy: -13.682 bonds (distance) P-C4' energy: -11.992 flat angles C4'-P-C4' energy: -13.751 flat angles P-C4'-P energy: -12.214 tors. eta vs tors. theta energy: -15.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -196.957068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.957068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.957068 (E_RNA) where: Base-Base interactions energy: -140.621 where: short stacking energy: -57.510 Base-Backbone interact. energy: 1.899 local terms energy: -58.235234 where: bonds (distance) C4'-P energy: -12.005 bonds (distance) P-C4' energy: -11.886 flat angles C4'-P-C4' energy: -8.698 flat angles P-C4'-P energy: -6.823 tors. eta vs tors. theta energy: -18.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -191.284135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.284135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.284135 (E_RNA) where: Base-Base interactions energy: -131.988 where: short stacking energy: -55.151 Base-Backbone interact. energy: -0.245 local terms energy: -59.051288 where: bonds (distance) C4'-P energy: -13.007 bonds (distance) P-C4' energy: -12.659 flat angles C4'-P-C4' energy: -12.674 flat angles P-C4'-P energy: -8.515 tors. eta vs tors. theta energy: -12.196 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: 5 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -188.388069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.388069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.388069 (E_RNA) where: Base-Base interactions energy: -125.751 where: short stacking energy: -56.516 Base-Backbone interact. energy: -0.000 local terms energy: -62.636943 where: bonds (distance) C4'-P energy: -12.855 bonds (distance) P-C4' energy: -10.337 flat angles C4'-P-C4' energy: -13.190 flat angles P-C4'-P energy: -9.424 tors. eta vs tors. theta energy: -16.832 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: 6, replica: 4 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -196.487345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.487345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.487345 (E_RNA) where: Base-Base interactions energy: -133.005 where: short stacking energy: -53.153 Base-Backbone interact. energy: -0.000 local terms energy: -63.482047 where: bonds (distance) C4'-P energy: -12.120 bonds (distance) P-C4' energy: -14.026 flat angles C4'-P-C4' energy: -13.624 flat angles P-C4'-P energy: -8.818 tors. eta vs tors. theta energy: -14.895 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: 200 Temperature: 1.200000 Total energy: -172.973066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.973066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.973066 (E_RNA) where: Base-Base interactions energy: -121.276 where: short stacking energy: -49.524 Base-Backbone interact. energy: -0.004 local terms energy: -51.692908 where: bonds (distance) C4'-P energy: -6.565 bonds (distance) P-C4' energy: -11.419 flat angles C4'-P-C4' energy: -13.180 flat angles P-C4'-P energy: -7.383 tors. eta vs tors. theta energy: -13.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -170.755321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.755321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.755321 (E_RNA) where: Base-Base interactions energy: -122.208 where: short stacking energy: -51.556 Base-Backbone interact. energy: -0.091 local terms energy: -48.456120 where: bonds (distance) C4'-P energy: -9.616 bonds (distance) P-C4' energy: -9.411 flat angles C4'-P-C4' energy: -10.853 flat angles P-C4'-P energy: -6.893 tors. eta vs tors. theta energy: -11.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -65.759940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.759940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.759940 (E_RNA) where: Base-Base interactions energy: -23.992 where: short stacking energy: -15.567 Base-Backbone interact. energy: -0.144 local terms energy: -41.623882 where: bonds (distance) C4'-P energy: -9.786 bonds (distance) P-C4' energy: -14.628 flat angles C4'-P-C4' energy: -10.499 flat angles P-C4'-P energy: -8.729 tors. eta vs tors. theta energy: 2.019 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: 10, replica: 3 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -67.730042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.730042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.730042 (E_RNA) where: Base-Base interactions energy: -33.021 where: short stacking energy: -24.195 Base-Backbone interact. energy: -0.243 local terms energy: -34.465447 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -7.763 flat angles C4'-P-C4' energy: -10.484 flat angles P-C4'-P energy: -8.339 tors. eta vs tors. theta energy: -0.981 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: 9 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -205.351888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.351888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.351888 (E_RNA) where: Base-Base interactions energy: -139.701 where: short stacking energy: -59.790 Base-Backbone interact. energy: -1.189 local terms energy: -64.461973 where: bonds (distance) C4'-P energy: -11.980 bonds (distance) P-C4' energy: -13.361 flat angles C4'-P-C4' energy: -13.389 flat angles P-C4'-P energy: -9.057 tors. eta vs tors. theta energy: -16.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -203.906595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.906595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.906595 (E_RNA) where: Base-Base interactions energy: -141.707 where: short stacking energy: -60.746 Base-Backbone interact. energy: -0.025 local terms energy: -62.174070 where: bonds (distance) C4'-P energy: -11.322 bonds (distance) P-C4' energy: -14.558 flat angles C4'-P-C4' energy: -13.580 flat angles P-C4'-P energy: -8.974 tors. eta vs tors. theta energy: -13.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -189.021913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.021913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.021913 (E_RNA) where: Base-Base interactions energy: -127.159 where: short stacking energy: -54.225 Base-Backbone interact. energy: -0.027 local terms energy: -61.836039 where: bonds (distance) C4'-P energy: -12.563 bonds (distance) P-C4' energy: -12.942 flat angles C4'-P-C4' energy: -10.780 flat angles P-C4'-P energy: -10.335 tors. eta vs tors. theta energy: -15.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -184.309141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.309141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.309141 (E_RNA) where: Base-Base interactions energy: -130.523 where: short stacking energy: -56.027 Base-Backbone interact. energy: -0.002 local terms energy: -53.784641 where: bonds (distance) C4'-P energy: -10.057 bonds (distance) P-C4' energy: -12.074 flat angles C4'-P-C4' energy: -11.204 flat angles P-C4'-P energy: -4.337 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: 5, replica: 1 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -180.297142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.297142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.297142 (E_RNA) where: Base-Base interactions energy: -128.756 where: short stacking energy: -51.927 Base-Backbone interact. energy: 0.474 local terms energy: -52.015475 where: bonds (distance) C4'-P energy: -5.853 bonds (distance) P-C4' energy: -10.966 flat angles C4'-P-C4' energy: -11.678 flat angles P-C4'-P energy: -11.518 tors. eta vs tors. theta energy: -12.000 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: 6 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -176.969720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.969720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.969720 (E_RNA) where: Base-Base interactions energy: -117.767 where: short stacking energy: -45.950 Base-Backbone interact. energy: -0.007 local terms energy: -59.195895 where: bonds (distance) C4'-P energy: -10.634 bonds (distance) P-C4' energy: -13.081 flat angles C4'-P-C4' energy: -11.949 flat angles P-C4'-P energy: -10.838 tors. eta vs tors. theta energy: -12.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -174.195880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.195880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.195880 (E_RNA) where: Base-Base interactions energy: -123.055 where: short stacking energy: -49.015 Base-Backbone interact. energy: 0.211 local terms energy: -51.351762 where: bonds (distance) C4'-P energy: -10.486 bonds (distance) P-C4' energy: -11.873 flat angles C4'-P-C4' energy: -8.693 flat angles P-C4'-P energy: -7.036 tors. eta vs tors. theta energy: -13.263 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: 10 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -161.163236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.163236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.163236 (E_RNA) where: Base-Base interactions energy: -107.623 where: short stacking energy: -43.502 Base-Backbone interact. energy: -0.015 local terms energy: -53.524583 where: bonds (distance) C4'-P energy: -9.529 bonds (distance) P-C4' energy: -9.724 flat angles C4'-P-C4' energy: -11.501 flat angles P-C4'-P energy: -9.460 tors. eta vs tors. theta energy: -13.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -69.825854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.825854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.825854 (E_RNA) where: Base-Base interactions energy: -35.058 where: short stacking energy: -30.244 Base-Backbone interact. energy: 0.916 local terms energy: -35.684189 where: bonds (distance) C4'-P energy: -6.358 bonds (distance) P-C4' energy: -9.720 flat angles C4'-P-C4' energy: -11.475 flat angles P-C4'-P energy: -6.932 tors. eta vs tors. theta energy: -1.199 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: 3 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -69.984073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.984073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.984073 (E_RNA) where: Base-Base interactions energy: -26.684 where: short stacking energy: -26.278 Base-Backbone interact. energy: -0.132 local terms energy: -43.167591 where: bonds (distance) C4'-P energy: -7.141 bonds (distance) P-C4' energy: -14.428 flat angles C4'-P-C4' energy: -12.246 flat angles P-C4'-P energy: -5.005 tors. eta vs tors. theta energy: -4.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -201.244896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.244896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.244896 (E_RNA) where: Base-Base interactions energy: -136.626 where: short stacking energy: -57.211 Base-Backbone interact. energy: -1.181 local terms energy: -63.438386 where: bonds (distance) C4'-P energy: -11.537 bonds (distance) P-C4' energy: -9.247 flat angles C4'-P-C4' energy: -14.940 flat angles P-C4'-P energy: -11.732 tors. eta vs tors. theta energy: -15.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -204.810949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.810949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.810949 (E_RNA) where: Base-Base interactions energy: -141.779 where: short stacking energy: -61.055 Base-Backbone interact. energy: -0.001 local terms energy: -63.030973 where: bonds (distance) C4'-P energy: -13.247 bonds (distance) P-C4' energy: -11.938 flat angles C4'-P-C4' energy: -13.432 flat angles P-C4'-P energy: -7.712 tors. eta vs tors. theta energy: -16.701 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: 7 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -189.772925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.772925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.772925 (E_RNA) where: Base-Base interactions energy: -129.153 where: short stacking energy: -50.144 Base-Backbone interact. energy: 0.160 local terms energy: -60.780635 where: bonds (distance) C4'-P energy: -13.052 bonds (distance) P-C4' energy: -10.416 flat angles C4'-P-C4' energy: -12.190 flat angles P-C4'-P energy: -9.094 tors. eta vs tors. theta energy: -16.029 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: 4, replica: 5 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -191.695069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.695069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.695069 (E_RNA) where: Base-Base interactions energy: -129.852 where: short stacking energy: -51.524 Base-Backbone interact. energy: 0.363 local terms energy: -62.205829 where: bonds (distance) C4'-P energy: -12.699 bonds (distance) P-C4' energy: -13.751 flat angles C4'-P-C4' energy: -12.939 flat angles P-C4'-P energy: -9.294 tors. eta vs tors. theta energy: -13.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -192.038314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.038314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.038314 (E_RNA) where: Base-Base interactions energy: -135.434 where: short stacking energy: -53.055 Base-Backbone interact. energy: -0.002 local terms energy: -56.602388 where: bonds (distance) C4'-P energy: -12.411 bonds (distance) P-C4' energy: -9.177 flat angles C4'-P-C4' energy: -11.824 flat angles P-C4'-P energy: -6.178 tors. eta vs tors. theta energy: -17.011 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: 6 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -179.120850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.120850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.120850 (E_RNA) where: Base-Base interactions energy: -129.955 where: short stacking energy: -43.054 Base-Backbone interact. energy: 5.714 local terms energy: -54.879363 where: bonds (distance) C4'-P energy: -8.825 bonds (distance) P-C4' energy: -12.448 flat angles C4'-P-C4' energy: -13.827 flat angles P-C4'-P energy: -9.822 tors. eta vs tors. theta energy: -9.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -173.548493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.548493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.548493 (E_RNA) where: Base-Base interactions energy: -119.288 where: short stacking energy: -50.618 Base-Backbone interact. energy: -0.132 local terms energy: -54.128370 where: bonds (distance) C4'-P energy: -9.740 bonds (distance) P-C4' energy: -12.835 flat angles C4'-P-C4' energy: -12.619 flat angles P-C4'-P energy: -8.456 tors. eta vs tors. theta energy: -10.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -170.729052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.729052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.729052 (E_RNA) where: Base-Base interactions energy: -123.356 where: short stacking energy: -46.806 Base-Backbone interact. energy: -0.091 local terms energy: -47.282467 where: bonds (distance) C4'-P energy: -8.146 bonds (distance) P-C4' energy: -10.847 flat angles C4'-P-C4' energy: -8.761 flat angles P-C4'-P energy: -4.851 tors. eta vs tors. theta energy: -14.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -66.529504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.529504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.529504 (E_RNA) where: Base-Base interactions energy: -27.483 where: short stacking energy: -24.943 Base-Backbone interact. energy: -0.008 local terms energy: -39.039126 where: bonds (distance) C4'-P energy: -7.540 bonds (distance) P-C4' energy: -14.214 flat angles C4'-P-C4' energy: -9.283 flat angles P-C4'-P energy: -4.385 tors. eta vs tors. theta energy: -3.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -63.484458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.484458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.484458 (E_RNA) where: Base-Base interactions energy: -19.350 where: short stacking energy: -19.350 Base-Backbone interact. energy: 0.482 local terms energy: -44.616243 where: bonds (distance) C4'-P energy: -13.656 bonds (distance) P-C4' energy: -13.092 flat angles C4'-P-C4' energy: -10.945 flat angles P-C4'-P energy: -3.643 tors. eta vs tors. theta energy: -3.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -206.592386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.592386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.592386 (E_RNA) where: Base-Base interactions energy: -138.229 where: short stacking energy: -60.825 Base-Backbone interact. energy: -0.003 local terms energy: -68.360547 where: bonds (distance) C4'-P energy: -14.198 bonds (distance) P-C4' energy: -13.367 flat angles C4'-P-C4' energy: -14.219 flat angles P-C4'-P energy: -10.730 tors. eta vs tors. theta energy: -15.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -202.947372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.947372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.947372 (E_RNA) where: Base-Base interactions energy: -139.654 where: short stacking energy: -61.314 Base-Backbone interact. energy: -0.001 local terms energy: -63.292569 where: bonds (distance) C4'-P energy: -11.318 bonds (distance) P-C4' energy: -11.264 flat angles C4'-P-C4' energy: -14.610 flat angles P-C4'-P energy: -9.165 tors. eta vs tors. theta energy: -16.935 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: 7 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -199.197755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.197755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.197755 (E_RNA) where: Base-Base interactions energy: -135.885 where: short stacking energy: -60.126 Base-Backbone interact. energy: -0.001 local terms energy: -63.312101 where: bonds (distance) C4'-P energy: -11.888 bonds (distance) P-C4' energy: -14.138 flat angles C4'-P-C4' energy: -12.942 flat angles P-C4'-P energy: -8.274 tors. eta vs tors. theta energy: -16.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -191.491589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.491589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.491589 (E_RNA) where: Base-Base interactions energy: -134.472 where: short stacking energy: -56.095 Base-Backbone interact. energy: -0.059 local terms energy: -56.960854 where: bonds (distance) C4'-P energy: -8.235 bonds (distance) P-C4' energy: -11.068 flat angles C4'-P-C4' energy: -13.083 flat angles P-C4'-P energy: -9.862 tors. eta vs tors. theta energy: -14.713 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: 5 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -193.157582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.157582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.157582 (E_RNA) where: Base-Base interactions energy: -133.927 where: short stacking energy: -52.857 Base-Backbone interact. energy: -0.142 local terms energy: -59.088827 where: bonds (distance) C4'-P energy: -10.594 bonds (distance) P-C4' energy: -12.825 flat angles C4'-P-C4' energy: -10.954 flat angles P-C4'-P energy: -9.516 tors. eta vs tors. theta energy: -15.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -175.883234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.883234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.883234 (E_RNA) where: Base-Base interactions energy: -123.222 where: short stacking energy: -41.227 Base-Backbone interact. energy: -0.206 local terms energy: -52.455769 where: bonds (distance) C4'-P energy: -11.176 bonds (distance) P-C4' energy: -13.600 flat angles C4'-P-C4' energy: -12.204 flat angles P-C4'-P energy: -5.632 tors. eta vs tors. theta energy: -9.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -172.927439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.927439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.927439 (E_RNA) where: Base-Base interactions energy: -116.329 where: short stacking energy: -52.446 Base-Backbone interact. energy: -0.001 local terms energy: -56.597221 where: bonds (distance) C4'-P energy: -11.540 bonds (distance) P-C4' energy: -9.669 flat angles C4'-P-C4' energy: -15.109 flat angles P-C4'-P energy: -7.946 tors. eta vs tors. theta energy: -12.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -77.407165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.407165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.407165 (E_RNA) where: Base-Base interactions energy: -42.273 where: short stacking energy: -22.289 Base-Backbone interact. energy: -0.463 local terms energy: -34.671754 where: bonds (distance) C4'-P energy: -7.582 bonds (distance) P-C4' energy: -14.625 flat angles C4'-P-C4' energy: -8.091 flat angles P-C4'-P energy: -1.448 tors. eta vs tors. theta energy: -2.926 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: 9, replica: 10 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -163.748986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.748986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.748986 (E_RNA) where: Base-Base interactions energy: -110.005 where: short stacking energy: -45.606 Base-Backbone interact. energy: -0.018 local terms energy: -53.725725 where: bonds (distance) C4'-P energy: -9.735 bonds (distance) P-C4' energy: -10.805 flat angles C4'-P-C4' energy: -11.035 flat angles P-C4'-P energy: -12.026 tors. eta vs tors. theta energy: -10.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -75.439822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.439822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.439822 (E_RNA) where: Base-Base interactions energy: -26.408 where: short stacking energy: -23.677 Base-Backbone interact. energy: -0.004 local terms energy: -49.026848 where: bonds (distance) C4'-P energy: -8.987 bonds (distance) P-C4' energy: -13.751 flat angles C4'-P-C4' energy: -11.648 flat angles P-C4'-P energy: -10.044 tors. eta vs tors. theta energy: -4.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -203.721214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.721214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.721214 (E_RNA) where: Base-Base interactions energy: -134.866 where: short stacking energy: -54.666 Base-Backbone interact. energy: -0.410 local terms energy: -68.445555 where: bonds (distance) C4'-P energy: -13.018 bonds (distance) P-C4' energy: -15.040 flat angles C4'-P-C4' energy: -13.820 flat angles P-C4'-P energy: -10.960 tors. eta vs tors. theta energy: -15.607 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: 9 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -198.764872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.764872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.764872 (E_RNA) where: Base-Base interactions energy: -135.237 where: short stacking energy: -60.519 Base-Backbone interact. energy: -0.000 local terms energy: -63.527395 where: bonds (distance) C4'-P energy: -11.537 bonds (distance) P-C4' energy: -13.604 flat angles C4'-P-C4' energy: -14.384 flat angles P-C4'-P energy: -8.553 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: 3, replica: 1 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -197.034928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.034928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.034928 (E_RNA) where: Base-Base interactions energy: -131.999 where: short stacking energy: -56.630 Base-Backbone interact. energy: -0.008 local terms energy: -65.028042 where: bonds (distance) C4'-P energy: -13.913 bonds (distance) P-C4' energy: -13.766 flat angles C4'-P-C4' energy: -13.448 flat angles P-C4'-P energy: -9.188 tors. eta vs tors. theta energy: -14.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -193.314583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.314583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.314583 (E_RNA) where: Base-Base interactions energy: -136.375 where: short stacking energy: -57.642 Base-Backbone interact. energy: -0.002 local terms energy: -56.937775 where: bonds (distance) C4'-P energy: -11.872 bonds (distance) P-C4' energy: -11.812 flat angles C4'-P-C4' energy: -11.685 flat angles P-C4'-P energy: -5.094 tors. eta vs tors. theta energy: -16.475 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: 6 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -181.167365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.167365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.167365 (E_RNA) where: Base-Base interactions energy: -120.977 where: short stacking energy: -55.704 Base-Backbone interact. energy: -0.556 local terms energy: -59.634306 where: bonds (distance) C4'-P energy: -12.385 bonds (distance) P-C4' energy: -11.791 flat angles C4'-P-C4' energy: -12.803 flat angles P-C4'-P energy: -7.474 tors. eta vs tors. theta energy: -15.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -175.587780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.587780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.587780 (E_RNA) where: Base-Base interactions energy: -117.451 where: short stacking energy: -46.301 Base-Backbone interact. energy: -0.689 local terms energy: -57.447229 where: bonds (distance) C4'-P energy: -12.633 bonds (distance) P-C4' energy: -12.451 flat angles C4'-P-C4' energy: -14.144 flat angles P-C4'-P energy: -7.110 tors. eta vs tors. theta energy: -11.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -189.652548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.652548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.652548 (E_RNA) where: Base-Base interactions energy: -126.623 where: short stacking energy: -52.192 Base-Backbone interact. energy: -0.000 local terms energy: -63.029149 where: bonds (distance) C4'-P energy: -12.423 bonds (distance) P-C4' energy: -13.705 flat angles C4'-P-C4' energy: -13.824 flat angles P-C4'-P energy: -5.687 tors. eta vs tors. theta energy: -17.390 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: 3 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -74.803240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.803240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.803240 (E_RNA) where: Base-Base interactions energy: -33.816 where: short stacking energy: -26.887 Base-Backbone interact. energy: -0.452 local terms energy: -40.534905 where: bonds (distance) C4'-P energy: -8.738 bonds (distance) P-C4' energy: -13.191 flat angles C4'-P-C4' energy: -12.681 flat angles P-C4'-P energy: -5.852 tors. eta vs tors. theta energy: -0.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -159.938025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.938025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.938025 (E_RNA) where: Base-Base interactions energy: -111.244 where: short stacking energy: -43.016 Base-Backbone interact. energy: -0.010 local terms energy: -48.683792 where: bonds (distance) C4'-P energy: -9.517 bonds (distance) P-C4' energy: -9.582 flat angles C4'-P-C4' energy: -9.974 flat angles P-C4'-P energy: -6.272 tors. eta vs tors. theta energy: -13.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -60.000389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.000389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.000389 (E_RNA) where: Base-Base interactions energy: -19.297 where: short stacking energy: -15.168 Base-Backbone interact. energy: -0.180 local terms energy: -40.523036 where: bonds (distance) C4'-P energy: -12.679 bonds (distance) P-C4' energy: -13.737 flat angles C4'-P-C4' energy: -10.973 flat angles P-C4'-P energy: -5.911 tors. eta vs tors. theta energy: 2.777 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: 2 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -201.068579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.068579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.068579 (E_RNA) where: Base-Base interactions energy: -137.120 where: short stacking energy: -54.735 Base-Backbone interact. energy: -0.074 local terms energy: -63.874858 where: bonds (distance) C4'-P energy: -11.569 bonds (distance) P-C4' energy: -14.856 flat angles C4'-P-C4' energy: -13.872 flat angles P-C4'-P energy: -8.200 tors. eta vs tors. theta energy: -15.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -199.396090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.396090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.396090 (E_RNA) where: Base-Base interactions energy: -136.310 where: short stacking energy: -60.391 Base-Backbone interact. energy: -0.041 local terms energy: -63.044709 where: bonds (distance) C4'-P energy: -10.755 bonds (distance) P-C4' energy: -12.638 flat angles C4'-P-C4' energy: -13.101 flat angles P-C4'-P energy: -9.691 tors. eta vs tors. theta energy: -16.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -197.840182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.840182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.840182 (E_RNA) where: Base-Base interactions energy: -137.412 where: short stacking energy: -55.938 Base-Backbone interact. energy: -0.854 local terms energy: -59.575029 where: bonds (distance) C4'-P energy: -6.796 bonds (distance) P-C4' energy: -13.479 flat angles C4'-P-C4' energy: -11.438 flat angles P-C4'-P energy: -9.467 tors. eta vs tors. theta energy: -18.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -190.816008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.816008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.816008 (E_RNA) where: Base-Base interactions energy: -125.881 where: short stacking energy: -55.176 Base-Backbone interact. energy: -0.022 local terms energy: -64.912669 where: bonds (distance) C4'-P energy: -12.535 bonds (distance) P-C4' energy: -14.477 flat angles C4'-P-C4' energy: -13.604 flat angles P-C4'-P energy: -8.252 tors. eta vs tors. theta energy: -16.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -163.377631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.377631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.377631 (E_RNA) where: Base-Base interactions energy: -111.239 where: short stacking energy: -49.576 Base-Backbone interact. energy: -0.008 local terms energy: -52.130809 where: bonds (distance) C4'-P energy: -13.640 bonds (distance) P-C4' energy: -10.028 flat angles C4'-P-C4' energy: -14.175 flat angles P-C4'-P energy: -9.098 tors. eta vs tors. theta energy: -5.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -181.456360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.456360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.456360 (E_RNA) where: Base-Base interactions energy: -126.505 where: short stacking energy: -53.267 Base-Backbone interact. energy: -0.051 local terms energy: -54.899978 where: bonds (distance) C4'-P energy: -9.426 bonds (distance) P-C4' energy: -10.260 flat angles C4'-P-C4' energy: -12.737 flat angles P-C4'-P energy: -7.012 tors. eta vs tors. theta energy: -15.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -182.828939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.828939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.828939 (E_RNA) where: Base-Base interactions energy: -132.021 where: short stacking energy: -52.708 Base-Backbone interact. energy: -0.057 local terms energy: -50.750307 where: bonds (distance) C4'-P energy: -10.796 bonds (distance) P-C4' energy: -8.635 flat angles C4'-P-C4' energy: -9.446 flat angles P-C4'-P energy: -9.064 tors. eta vs tors. theta energy: -12.809 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: 205 Temperature: 1.250000 Total energy: -178.238713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.238713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.238713 (E_RNA) where: Base-Base interactions energy: -115.865 where: short stacking energy: -53.656 Base-Backbone interact. energy: -0.002 local terms energy: -62.370894 where: bonds (distance) C4'-P energy: -13.101 bonds (distance) P-C4' energy: -11.877 flat angles C4'-P-C4' energy: -13.247 flat angles P-C4'-P energy: -9.166 tors. eta vs tors. theta energy: -14.980 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: 3 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -75.513151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.513151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.513151 (E_RNA) where: Base-Base interactions energy: -32.937 where: short stacking energy: -33.432 Base-Backbone interact. energy: -0.007 local terms energy: -42.568879 where: bonds (distance) C4'-P energy: -11.938 bonds (distance) P-C4' energy: -12.984 flat angles C4'-P-C4' energy: -7.743 flat angles P-C4'-P energy: -7.259 tors. eta vs tors. theta energy: -2.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -79.156250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.156250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.156250 (E_RNA) where: Base-Base interactions energy: -38.747 where: short stacking energy: -20.262 Base-Backbone interact. energy: -0.103 local terms energy: -40.306003 where: bonds (distance) C4'-P energy: -10.281 bonds (distance) P-C4' energy: -10.369 flat angles C4'-P-C4' energy: -10.298 flat angles P-C4'-P energy: -7.767 tors. eta vs tors. theta energy: -1.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -202.288172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.288172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.288172 (E_RNA) where: Base-Base interactions energy: -136.578 where: short stacking energy: -58.090 Base-Backbone interact. energy: -0.002 local terms energy: -65.707793 where: bonds (distance) C4'-P energy: -13.300 bonds (distance) P-C4' energy: -13.930 flat angles C4'-P-C4' energy: -15.100 flat angles P-C4'-P energy: -9.109 tors. eta vs tors. theta energy: -14.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -204.393841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.393841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.393841 (E_RNA) where: Base-Base interactions energy: -141.403 where: short stacking energy: -60.363 Base-Backbone interact. energy: -0.002 local terms energy: -62.989666 where: bonds (distance) C4'-P energy: -11.789 bonds (distance) P-C4' energy: -11.060 flat angles C4'-P-C4' energy: -14.480 flat angles P-C4'-P energy: -8.816 tors. eta vs tors. theta energy: -16.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -211.805277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.805277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.805277 (E_RNA) where: Base-Base interactions energy: -146.201 where: short stacking energy: -60.965 Base-Backbone interact. energy: 0.625 local terms energy: -66.229237 where: bonds (distance) C4'-P energy: -13.247 bonds (distance) P-C4' energy: -13.687 flat angles C4'-P-C4' energy: -14.906 flat angles P-C4'-P energy: -5.787 tors. eta vs tors. theta energy: -18.603 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: 6 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -194.844785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.844785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.844785 (E_RNA) where: Base-Base interactions energy: -133.728 where: short stacking energy: -56.919 Base-Backbone interact. energy: -0.001 local terms energy: -61.115867 where: bonds (distance) C4'-P energy: -11.636 bonds (distance) P-C4' energy: -10.754 flat angles C4'-P-C4' energy: -14.056 flat angles P-C4'-P energy: -8.215 tors. eta vs tors. theta energy: -16.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -187.951974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.951974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.951974 (E_RNA) where: Base-Base interactions energy: -131.424 where: short stacking energy: -54.699 Base-Backbone interact. energy: -0.074 local terms energy: -56.453708 where: bonds (distance) C4'-P energy: -9.193 bonds (distance) P-C4' energy: -9.745 flat angles C4'-P-C4' energy: -12.834 flat angles P-C4'-P energy: -10.337 tors. eta vs tors. theta energy: -14.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -181.039236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.039236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.039236 (E_RNA) where: Base-Base interactions energy: -125.700 where: short stacking energy: -52.253 Base-Backbone interact. energy: -0.122 local terms energy: -55.216744 where: bonds (distance) C4'-P energy: -12.643 bonds (distance) P-C4' energy: -13.762 flat angles C4'-P-C4' energy: -13.383 flat angles P-C4'-P energy: -4.460 tors. eta vs tors. theta energy: -10.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -169.188434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.188434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.188434 (E_RNA) where: Base-Base interactions energy: -113.016 where: short stacking energy: -48.837 Base-Backbone interact. energy: -0.015 local terms energy: -56.157160 where: bonds (distance) C4'-P energy: -13.628 bonds (distance) P-C4' energy: -10.651 flat angles C4'-P-C4' energy: -11.345 flat angles P-C4'-P energy: -9.006 tors. eta vs tors. theta energy: -11.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -165.933465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.933465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.933465 (E_RNA) where: Base-Base interactions energy: -114.157 where: short stacking energy: -49.609 Base-Backbone interact. energy: -0.177 local terms energy: -51.599375 where: bonds (distance) C4'-P energy: -7.067 bonds (distance) P-C4' energy: -12.032 flat angles C4'-P-C4' energy: -10.190 flat angles P-C4'-P energy: -5.549 tors. eta vs tors. theta energy: -16.761 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: 8 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -67.117281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.117281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.117281 (E_RNA) where: Base-Base interactions energy: -19.387 where: short stacking energy: -19.213 Base-Backbone interact. energy: -0.011 local terms energy: -47.719058 where: bonds (distance) C4'-P energy: -10.701 bonds (distance) P-C4' energy: -13.575 flat angles C4'-P-C4' energy: -11.968 flat angles P-C4'-P energy: -6.892 tors. eta vs tors. theta energy: -4.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -65.969640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.969640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.969640 (E_RNA) where: Base-Base interactions energy: -27.211 where: short stacking energy: -12.822 Base-Backbone interact. energy: -0.075 local terms energy: -38.683694 where: bonds (distance) C4'-P energy: -13.173 bonds (distance) P-C4' energy: -9.499 flat angles C4'-P-C4' energy: -7.537 flat angles P-C4'-P energy: -6.678 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: 1 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -203.503848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.503848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.503848 (E_RNA) where: Base-Base interactions energy: -137.060 where: short stacking energy: -60.153 Base-Backbone interact. energy: -0.005 local terms energy: -66.439498 where: bonds (distance) C4'-P energy: -13.115 bonds (distance) P-C4' energy: -12.638 flat angles C4'-P-C4' energy: -12.245 flat angles P-C4'-P energy: -12.208 tors. eta vs tors. theta energy: -16.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -197.687693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.687693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.687693 (E_RNA) where: Base-Base interactions energy: -136.856 where: short stacking energy: -58.845 Base-Backbone interact. energy: -0.021 local terms energy: -60.811019 where: bonds (distance) C4'-P energy: -11.616 bonds (distance) P-C4' energy: -15.587 flat angles C4'-P-C4' energy: -11.972 flat angles P-C4'-P energy: -7.867 tors. eta vs tors. theta energy: -13.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -198.645466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.645466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.645466 (E_RNA) where: Base-Base interactions energy: -142.518 where: short stacking energy: -60.941 Base-Backbone interact. energy: 1.045 local terms energy: -57.172537 where: bonds (distance) C4'-P energy: -10.445 bonds (distance) P-C4' energy: -12.740 flat angles C4'-P-C4' energy: -12.566 flat angles P-C4'-P energy: -4.980 tors. eta vs tors. theta energy: -16.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -190.434611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.434611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.434611 (E_RNA) where: Base-Base interactions energy: -129.933 where: short stacking energy: -56.127 Base-Backbone interact. energy: 1.154 local terms energy: -61.655443 where: bonds (distance) C4'-P energy: -10.539 bonds (distance) P-C4' energy: -9.528 flat angles C4'-P-C4' energy: -14.747 flat angles P-C4'-P energy: -11.941 tors. eta vs tors. theta energy: -14.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -185.101517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.101517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.101517 (E_RNA) where: Base-Base interactions energy: -128.065 where: short stacking energy: -49.709 Base-Backbone interact. energy: -0.010 local terms energy: -57.026364 where: bonds (distance) C4'-P energy: -13.128 bonds (distance) P-C4' energy: -11.819 flat angles C4'-P-C4' energy: -8.954 flat angles P-C4'-P energy: -8.416 tors. eta vs tors. theta energy: -14.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -186.251353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.251353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.251353 (E_RNA) where: Base-Base interactions energy: -125.740 where: short stacking energy: -51.627 Base-Backbone interact. energy: -0.415 local terms energy: -60.096675 where: bonds (distance) C4'-P energy: -11.835 bonds (distance) P-C4' energy: -14.597 flat angles C4'-P-C4' energy: -10.150 flat angles P-C4'-P energy: -9.444 tors. eta vs tors. theta energy: -14.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -177.615725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.615725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.615725 (E_RNA) where: Base-Base interactions energy: -124.309 where: short stacking energy: -46.940 Base-Backbone interact. energy: -0.484 local terms energy: -52.822910 where: bonds (distance) C4'-P energy: -10.746 bonds (distance) P-C4' energy: -10.263 flat angles C4'-P-C4' energy: -10.233 flat angles P-C4'-P energy: -9.311 tors. eta vs tors. theta energy: -12.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -173.363051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.363051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.363051 (E_RNA) where: Base-Base interactions energy: -117.662 where: short stacking energy: -46.321 Base-Backbone interact. energy: -0.088 local terms energy: -55.613081 where: bonds (distance) C4'-P energy: -6.979 bonds (distance) P-C4' energy: -14.650 flat angles C4'-P-C4' energy: -11.037 flat angles P-C4'-P energy: -10.953 tors. eta vs tors. theta energy: -11.994 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: 8 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -70.678225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.678225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.678225 (E_RNA) where: Base-Base interactions energy: -30.676 where: short stacking energy: -18.514 Base-Backbone interact. energy: -0.052 local terms energy: -39.949958 where: bonds (distance) C4'-P energy: -11.990 bonds (distance) P-C4' energy: -13.308 flat angles C4'-P-C4' energy: -15.029 flat angles P-C4'-P energy: 1.267 tors. eta vs tors. theta energy: -0.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -69.971532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.971532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.971532 (E_RNA) where: Base-Base interactions energy: -31.502 where: short stacking energy: -22.063 Base-Backbone interact. energy: -0.115 local terms energy: -38.354809 where: bonds (distance) C4'-P energy: -6.817 bonds (distance) P-C4' energy: -11.281 flat angles C4'-P-C4' energy: -11.498 flat angles P-C4'-P energy: -6.448 tors. eta vs tors. theta energy: -2.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -199.453107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.453107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.453107 (E_RNA) where: Base-Base interactions energy: -146.731 where: short stacking energy: -60.344 Base-Backbone interact. energy: -0.036 local terms energy: -52.686324 where: bonds (distance) C4'-P energy: -10.311 bonds (distance) P-C4' energy: -12.810 flat angles C4'-P-C4' energy: -11.985 flat angles P-C4'-P energy: -2.235 tors. eta vs tors. theta energy: -15.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -202.633287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.633287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.633287 (E_RNA) where: Base-Base interactions energy: -136.911 where: short stacking energy: -58.135 Base-Backbone interact. energy: -0.013 local terms energy: -65.709215 where: bonds (distance) C4'-P energy: -13.383 bonds (distance) P-C4' energy: -13.855 flat angles C4'-P-C4' energy: -12.734 flat angles P-C4'-P energy: -10.568 tors. eta vs tors. theta energy: -15.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -199.033256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.033256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.033256 (E_RNA) where: Base-Base interactions energy: -135.407 where: short stacking energy: -57.272 Base-Backbone interact. energy: -0.214 local terms energy: -63.412098 where: bonds (distance) C4'-P energy: -13.101 bonds (distance) P-C4' energy: -12.074 flat angles C4'-P-C4' energy: -13.382 flat angles P-C4'-P energy: -6.427 tors. eta vs tors. theta energy: -18.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -185.357746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.357746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.357746 (E_RNA) where: Base-Base interactions energy: -130.516 where: short stacking energy: -53.125 Base-Backbone interact. energy: -0.108 local terms energy: -54.733592 where: bonds (distance) C4'-P energy: -9.339 bonds (distance) P-C4' energy: -12.985 flat angles C4'-P-C4' energy: -9.768 flat angles P-C4'-P energy: -7.240 tors. eta vs tors. theta energy: -15.402 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: 10 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -187.253673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.253673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.253673 (E_RNA) where: Base-Base interactions energy: -126.619 where: short stacking energy: -50.154 Base-Backbone interact. energy: -0.022 local terms energy: -60.613454 where: bonds (distance) C4'-P energy: -11.029 bonds (distance) P-C4' energy: -13.318 flat angles C4'-P-C4' energy: -13.596 flat angles P-C4'-P energy: -10.421 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: 6, replica: 6 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -180.879795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.879795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.879795 (E_RNA) where: Base-Base interactions energy: -125.217 where: short stacking energy: -49.599 Base-Backbone interact. energy: -0.005 local terms energy: -55.658286 where: bonds (distance) C4'-P energy: -7.956 bonds (distance) P-C4' energy: -11.128 flat angles C4'-P-C4' energy: -13.364 flat angles P-C4'-P energy: -9.571 tors. eta vs tors. theta energy: -13.640 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: 5 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -187.980311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.980311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.980311 (E_RNA) where: Base-Base interactions energy: -127.353 where: short stacking energy: -53.094 Base-Backbone interact. energy: -0.463 local terms energy: -60.163801 where: bonds (distance) C4'-P energy: -6.297 bonds (distance) P-C4' energy: -13.963 flat angles C4'-P-C4' energy: -13.104 flat angles P-C4'-P energy: -8.167 tors. eta vs tors. theta energy: -18.634 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: 7 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -169.191284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.191284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.191284 (E_RNA) where: Base-Base interactions energy: -119.433 where: short stacking energy: -45.342 Base-Backbone interact. energy: 0.164 local terms energy: -49.922507 where: bonds (distance) C4'-P energy: -13.338 bonds (distance) P-C4' energy: -10.612 flat angles C4'-P-C4' energy: -11.993 flat angles P-C4'-P energy: -4.554 tors. eta vs tors. theta energy: -9.426 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: 3 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -64.405458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.405458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.405458 (E_RNA) where: Base-Base interactions energy: -23.174 where: short stacking energy: -21.185 Base-Backbone interact. energy: 1.233 local terms energy: -42.464775 where: bonds (distance) C4'-P energy: -14.066 bonds (distance) P-C4' energy: -8.978 flat angles C4'-P-C4' energy: -12.072 flat angles P-C4'-P energy: -6.102 tors. eta vs tors. theta energy: -1.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -117.362158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.362158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.362158 (E_RNA) where: Base-Base interactions energy: -64.550 where: short stacking energy: -31.863 Base-Backbone interact. energy: -0.063 local terms energy: -52.749340 where: bonds (distance) C4'-P energy: -11.757 bonds (distance) P-C4' energy: -12.116 flat angles C4'-P-C4' energy: -10.941 flat angles P-C4'-P energy: -10.244 tors. eta vs tors. theta energy: -7.692 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: 1, replica: 1 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -197.601867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.601867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.601867 (E_RNA) where: Base-Base interactions energy: -140.658 where: short stacking energy: -59.629 Base-Backbone interact. energy: -0.105 local terms energy: -56.839270 where: bonds (distance) C4'-P energy: -10.373 bonds (distance) P-C4' energy: -12.466 flat angles C4'-P-C4' energy: -11.971 flat angles P-C4'-P energy: -6.011 tors. eta vs tors. theta energy: -16.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -205.119009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.119009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.119009 (E_RNA) where: Base-Base interactions energy: -143.396 where: short stacking energy: -63.481 Base-Backbone interact. energy: -0.098 local terms energy: -61.624393 where: bonds (distance) C4'-P energy: -11.233 bonds (distance) P-C4' energy: -14.300 flat angles C4'-P-C4' energy: -12.304 flat angles P-C4'-P energy: -8.360 tors. eta vs tors. theta energy: -15.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -200.915941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.915941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.915941 (E_RNA) where: Base-Base interactions energy: -132.479 where: short stacking energy: -55.845 Base-Backbone interact. energy: -0.711 local terms energy: -67.725707 where: bonds (distance) C4'-P energy: -11.284 bonds (distance) P-C4' energy: -14.876 flat angles C4'-P-C4' energy: -15.723 flat angles P-C4'-P energy: -8.975 tors. eta vs tors. theta energy: -16.869 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: 4 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -190.140222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.140222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.140222 (E_RNA) where: Base-Base interactions energy: -128.236 where: short stacking energy: -56.666 Base-Backbone interact. energy: -0.000 local terms energy: -61.904640 where: bonds (distance) C4'-P energy: -11.661 bonds (distance) P-C4' energy: -11.911 flat angles C4'-P-C4' energy: -12.424 flat angles P-C4'-P energy: -8.327 tors. eta vs tors. theta energy: -17.582 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: 10 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -173.616583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.616583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.616583 (E_RNA) where: Base-Base interactions energy: -119.622 where: short stacking energy: -50.541 Base-Backbone interact. energy: -0.005 local terms energy: -53.989915 where: bonds (distance) C4'-P energy: -12.058 bonds (distance) P-C4' energy: -13.451 flat angles C4'-P-C4' energy: -13.433 flat angles P-C4'-P energy: -5.457 tors. eta vs tors. theta energy: -9.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -178.266154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.266154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.266154 (E_RNA) where: Base-Base interactions energy: -128.551 where: short stacking energy: -50.748 Base-Backbone interact. energy: -0.013 local terms energy: -49.702185 where: bonds (distance) C4'-P energy: -10.451 bonds (distance) P-C4' energy: -10.880 flat angles C4'-P-C4' energy: -12.144 flat angles P-C4'-P energy: 0.558 tors. eta vs tors. theta energy: -16.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -189.511636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.511636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.511636 (E_RNA) where: Base-Base interactions energy: -132.427 where: short stacking energy: -51.376 Base-Backbone interact. energy: -0.060 local terms energy: -57.024798 where: bonds (distance) C4'-P energy: -11.081 bonds (distance) P-C4' energy: -11.398 flat angles C4'-P-C4' energy: -14.737 flat angles P-C4'-P energy: -6.515 tors. eta vs tors. theta energy: -13.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -163.029067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.029067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.029067 (E_RNA) where: Base-Base interactions energy: -109.689 where: short stacking energy: -44.601 Base-Backbone interact. energy: -0.002 local terms energy: -53.337779 where: bonds (distance) C4'-P energy: -9.651 bonds (distance) P-C4' energy: -11.093 flat angles C4'-P-C4' energy: -11.490 flat angles P-C4'-P energy: -11.076 tors. eta vs tors. theta energy: -10.027 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: 3 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -74.980367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.980367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.980367 (E_RNA) where: Base-Base interactions energy: -33.626 where: short stacking energy: -29.922 Base-Backbone interact. energy: -0.018 local terms energy: -41.336052 where: bonds (distance) C4'-P energy: -12.907 bonds (distance) P-C4' energy: -11.790 flat angles C4'-P-C4' energy: -6.480 flat angles P-C4'-P energy: -4.992 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: 8 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -86.273960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.273960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.273960 (E_RNA) where: Base-Base interactions energy: -41.587 where: short stacking energy: -22.901 Base-Backbone interact. energy: -0.105 local terms energy: -44.581615 where: bonds (distance) C4'-P energy: -9.492 bonds (distance) P-C4' energy: -10.827 flat angles C4'-P-C4' energy: -11.759 flat angles P-C4'-P energy: -10.549 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: 210 Temperature: 0.900000 Total energy: -204.387297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.387297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.387297 (E_RNA) where: Base-Base interactions energy: -140.692 where: short stacking energy: -62.059 Base-Backbone interact. energy: -0.001 local terms energy: -63.695095 where: bonds (distance) C4'-P energy: -7.789 bonds (distance) P-C4' energy: -12.789 flat angles C4'-P-C4' energy: -15.439 flat angles P-C4'-P energy: -10.980 tors. eta vs tors. theta energy: -16.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -193.720442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.720442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.720442 (E_RNA) where: Base-Base interactions energy: -137.000 where: short stacking energy: -56.517 Base-Backbone interact. energy: -0.003 local terms energy: -56.716933 where: bonds (distance) C4'-P energy: -13.780 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -10.626 flat angles P-C4'-P energy: -10.908 tors. eta vs tors. theta energy: -14.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -197.703589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.703589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.703589 (E_RNA) where: Base-Base interactions energy: -135.396 where: short stacking energy: -58.116 Base-Backbone interact. energy: -0.030 local terms energy: -62.277991 where: bonds (distance) C4'-P energy: -12.361 bonds (distance) P-C4' energy: -12.162 flat angles C4'-P-C4' energy: -14.193 flat angles P-C4'-P energy: -6.492 tors. eta vs tors. theta energy: -17.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -196.019334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.019334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.019334 (E_RNA) where: Base-Base interactions energy: -133.709 where: short stacking energy: -57.475 Base-Backbone interact. energy: -0.001 local terms energy: -62.308753 where: bonds (distance) C4'-P energy: -12.137 bonds (distance) P-C4' energy: -10.584 flat angles C4'-P-C4' energy: -13.348 flat angles P-C4'-P energy: -10.198 tors. eta vs tors. theta energy: -16.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -191.337832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.337832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.337832 (E_RNA) where: Base-Base interactions energy: -133.511 where: short stacking energy: -56.697 Base-Backbone interact. energy: -0.008 local terms energy: -57.819399 where: bonds (distance) C4'-P energy: -8.990 bonds (distance) P-C4' energy: -12.273 flat angles C4'-P-C4' energy: -12.469 flat angles P-C4'-P energy: -6.793 tors. eta vs tors. theta energy: -17.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -180.319266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.319266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.319266 (E_RNA) where: Base-Base interactions energy: -120.997 where: short stacking energy: -46.295 Base-Backbone interact. energy: -0.002 local terms energy: -59.320198 where: bonds (distance) C4'-P energy: -13.797 bonds (distance) P-C4' energy: -8.767 flat angles C4'-P-C4' energy: -11.142 flat angles P-C4'-P energy: -8.314 tors. eta vs tors. theta energy: -17.300 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: 7, replica: 6 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -179.867186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.867186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.867186 (E_RNA) where: Base-Base interactions energy: -130.042 where: short stacking energy: -54.480 Base-Backbone interact. energy: -0.018 local terms energy: -49.806629 where: bonds (distance) C4'-P energy: -4.623 bonds (distance) P-C4' energy: -11.107 flat angles C4'-P-C4' energy: -12.878 flat angles P-C4'-P energy: -8.330 tors. eta vs tors. theta energy: -12.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -176.815822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.815822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.815822 (E_RNA) where: Base-Base interactions energy: -125.305 where: short stacking energy: -47.289 Base-Backbone interact. energy: -0.073 local terms energy: -51.438012 where: bonds (distance) C4'-P energy: -7.637 bonds (distance) P-C4' energy: -11.629 flat angles C4'-P-C4' energy: -10.306 flat angles P-C4'-P energy: -7.114 tors. eta vs tors. theta energy: -14.752 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: 8 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -75.547828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.547828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.547828 (E_RNA) where: Base-Base interactions energy: -32.058 where: short stacking energy: -25.245 Base-Backbone interact. energy: -0.065 local terms energy: -43.424418 where: bonds (distance) C4'-P energy: -10.191 bonds (distance) P-C4' energy: -11.711 flat angles C4'-P-C4' energy: -11.342 flat angles P-C4'-P energy: -4.608 tors. eta vs tors. theta energy: -5.573 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: 3 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -69.678480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.678480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.678480 (E_RNA) where: Base-Base interactions energy: -27.965 where: short stacking energy: -27.965 Base-Backbone interact. energy: 0.524 local terms energy: -42.237437 where: bonds (distance) C4'-P energy: -6.841 bonds (distance) P-C4' energy: -12.190 flat angles C4'-P-C4' energy: -10.972 flat angles P-C4'-P energy: -8.804 tors. eta vs tors. theta energy: -3.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -196.515275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.515275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.515275 (E_RNA) where: Base-Base interactions energy: -136.903 where: short stacking energy: -60.123 Base-Backbone interact. energy: -0.008 local terms energy: -59.603951 where: bonds (distance) C4'-P energy: -9.058 bonds (distance) P-C4' energy: -11.779 flat angles C4'-P-C4' energy: -13.842 flat angles P-C4'-P energy: -8.921 tors. eta vs tors. theta energy: -16.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -198.927045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.927045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.927045 (E_RNA) where: Base-Base interactions energy: -137.565 where: short stacking energy: -60.682 Base-Backbone interact. energy: -0.016 local terms energy: -61.345812 where: bonds (distance) C4'-P energy: -13.396 bonds (distance) P-C4' energy: -11.557 flat angles C4'-P-C4' energy: -9.847 flat angles P-C4'-P energy: -8.962 tors. eta vs tors. theta energy: -17.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -202.577803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.577803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.577803 (E_RNA) where: Base-Base interactions energy: -131.460 where: short stacking energy: -58.475 Base-Backbone interact. energy: -0.011 local terms energy: -71.107539 where: bonds (distance) C4'-P energy: -14.633 bonds (distance) P-C4' energy: -15.573 flat angles C4'-P-C4' energy: -13.194 flat angles P-C4'-P energy: -11.921 tors. eta vs tors. theta energy: -15.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -179.617784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.617784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.617784 (E_RNA) where: Base-Base interactions energy: -128.352 where: short stacking energy: -46.078 Base-Backbone interact. energy: -0.178 local terms energy: -51.087988 where: bonds (distance) C4'-P energy: -13.305 bonds (distance) P-C4' energy: -11.640 flat angles C4'-P-C4' energy: -13.157 flat angles P-C4'-P energy: -4.089 tors. eta vs tors. theta energy: -8.897 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: 4 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -191.242374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.242374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.242374 (E_RNA) where: Base-Base interactions energy: -132.202 where: short stacking energy: -56.752 Base-Backbone interact. energy: 0.520 local terms energy: -59.560469 where: bonds (distance) C4'-P energy: -10.564 bonds (distance) P-C4' energy: -12.410 flat angles C4'-P-C4' energy: -12.921 flat angles P-C4'-P energy: -10.017 tors. eta vs tors. theta energy: -13.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -179.528508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.528508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.528508 (E_RNA) where: Base-Base interactions energy: -125.123 where: short stacking energy: -60.304 Base-Backbone interact. energy: -0.038 local terms energy: -54.367792 where: bonds (distance) C4'-P energy: -9.380 bonds (distance) P-C4' energy: -10.060 flat angles C4'-P-C4' energy: -10.029 flat angles P-C4'-P energy: -8.159 tors. eta vs tors. theta energy: -16.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -173.218796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.218796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.218796 (E_RNA) where: Base-Base interactions energy: -125.117 where: short stacking energy: -49.691 Base-Backbone interact. energy: 1.576 local terms energy: -49.677919 where: bonds (distance) C4'-P energy: -8.427 bonds (distance) P-C4' energy: -10.609 flat angles C4'-P-C4' energy: -8.079 flat angles P-C4'-P energy: -10.313 tors. eta vs tors. theta energy: -12.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -165.230253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.230253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.230253 (E_RNA) where: Base-Base interactions energy: -113.212 where: short stacking energy: -54.650 Base-Backbone interact. energy: -0.590 local terms energy: -51.428526 where: bonds (distance) C4'-P energy: -9.856 bonds (distance) P-C4' energy: -12.926 flat angles C4'-P-C4' energy: -8.852 flat angles P-C4'-P energy: -6.713 tors. eta vs tors. theta energy: -13.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -69.121481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.121481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.121481 (E_RNA) where: Base-Base interactions energy: -27.342 where: short stacking energy: -23.187 Base-Backbone interact. energy: 0.582 local terms energy: -42.361865 where: bonds (distance) C4'-P energy: -8.821 bonds (distance) P-C4' energy: -11.300 flat angles C4'-P-C4' energy: -12.084 flat angles P-C4'-P energy: -6.401 tors. eta vs tors. theta energy: -3.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -93.163656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.163656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.163656 (E_RNA) where: Base-Base interactions energy: -42.289 where: short stacking energy: -21.441 Base-Backbone interact. energy: -0.039 local terms energy: -50.835716 where: bonds (distance) C4'-P energy: -12.610 bonds (distance) P-C4' energy: -13.507 flat angles C4'-P-C4' energy: -12.893 flat angles P-C4'-P energy: -7.495 tors. eta vs tors. theta energy: -4.330 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: 2 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -193.952067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.952067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.952067 (E_RNA) where: Base-Base interactions energy: -135.727 where: short stacking energy: -50.681 Base-Backbone interact. energy: -0.012 local terms energy: -58.213142 where: bonds (distance) C4'-P energy: -10.676 bonds (distance) P-C4' energy: -15.051 flat angles C4'-P-C4' energy: -10.561 flat angles P-C4'-P energy: -8.653 tors. eta vs tors. theta energy: -13.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -197.928170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.928170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.928170 (E_RNA) where: Base-Base interactions energy: -131.674 where: short stacking energy: -55.616 Base-Backbone interact. energy: -0.000 local terms energy: -66.254014 where: bonds (distance) C4'-P energy: -13.959 bonds (distance) P-C4' energy: -12.626 flat angles C4'-P-C4' energy: -13.057 flat angles P-C4'-P energy: -11.310 tors. eta vs tors. theta energy: -15.302 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: 3, replica: 9 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -202.661916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.661916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.661916 (E_RNA) where: Base-Base interactions energy: -137.094 where: short stacking energy: -58.222 Base-Backbone interact. energy: -0.008 local terms energy: -65.560094 where: bonds (distance) C4'-P energy: -14.145 bonds (distance) P-C4' energy: -12.025 flat angles C4'-P-C4' energy: -11.264 flat angles P-C4'-P energy: -11.324 tors. eta vs tors. theta energy: -16.801 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: 4, replica: 5 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -187.661700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.661700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.661700 (E_RNA) where: Base-Base interactions energy: -124.913 where: short stacking energy: -56.758 Base-Backbone interact. energy: -0.000 local terms energy: -62.748542 where: bonds (distance) C4'-P energy: -10.630 bonds (distance) P-C4' energy: -14.042 flat angles C4'-P-C4' energy: -11.668 flat angles P-C4'-P energy: -9.913 tors. eta vs tors. theta energy: -16.495 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: 4 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -182.417955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.417955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.417955 (E_RNA) where: Base-Base interactions energy: -122.825 where: short stacking energy: -54.914 Base-Backbone interact. energy: -0.195 local terms energy: -59.397875 where: bonds (distance) C4'-P energy: -11.244 bonds (distance) P-C4' energy: -9.150 flat angles C4'-P-C4' energy: -14.153 flat angles P-C4'-P energy: -9.279 tors. eta vs tors. theta energy: -15.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -179.937444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.937444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.937444 (E_RNA) where: Base-Base interactions energy: -129.582 where: short stacking energy: -44.024 Base-Backbone interact. energy: -0.067 local terms energy: -50.289168 where: bonds (distance) C4'-P energy: -10.398 bonds (distance) P-C4' energy: -13.479 flat angles C4'-P-C4' energy: -10.119 flat angles P-C4'-P energy: -7.558 tors. eta vs tors. theta energy: -8.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -162.661230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.661230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.661230 (E_RNA) where: Base-Base interactions energy: -106.986 where: short stacking energy: -41.879 Base-Backbone interact. energy: -0.049 local terms energy: -55.626605 where: bonds (distance) C4'-P energy: -11.069 bonds (distance) P-C4' energy: -13.905 flat angles C4'-P-C4' energy: -10.449 flat angles P-C4'-P energy: -9.724 tors. eta vs tors. theta energy: -10.480 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: 10 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -170.629500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.629500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.629500 (E_RNA) where: Base-Base interactions energy: -114.067 where: short stacking energy: -50.132 Base-Backbone interact. energy: -0.482 local terms energy: -56.080942 where: bonds (distance) C4'-P energy: -10.461 bonds (distance) P-C4' energy: -12.913 flat angles C4'-P-C4' energy: -13.498 flat angles P-C4'-P energy: -4.067 tors. eta vs tors. theta energy: -15.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -74.707132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.707132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.707132 (E_RNA) where: Base-Base interactions energy: -29.077 where: short stacking energy: -29.077 Base-Backbone interact. energy: -0.074 local terms energy: -45.556175 where: bonds (distance) C4'-P energy: -12.287 bonds (distance) P-C4' energy: -8.886 flat angles C4'-P-C4' energy: -14.607 flat angles P-C4'-P energy: -4.538 tors. eta vs tors. theta energy: -5.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -72.511506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.511506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.511506 (E_RNA) where: Base-Base interactions energy: -31.871 where: short stacking energy: -31.415 Base-Backbone interact. energy: -0.080 local terms energy: -40.560013 where: bonds (distance) C4'-P energy: -7.773 bonds (distance) P-C4' energy: -12.454 flat angles C4'-P-C4' energy: -11.100 flat angles P-C4'-P energy: -4.241 tors. eta vs tors. theta energy: -4.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -196.262135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.262135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.262135 (E_RNA) where: Base-Base interactions energy: -140.300 where: short stacking energy: -47.155 Base-Backbone interact. energy: -0.008 local terms energy: -55.954054 where: bonds (distance) C4'-P energy: -12.256 bonds (distance) P-C4' energy: -12.855 flat angles C4'-P-C4' energy: -12.541 flat angles P-C4'-P energy: -4.809 tors. eta vs tors. theta energy: -13.492 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: 2, replica: 9 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -199.951631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.951631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.951631 (E_RNA) where: Base-Base interactions energy: -138.410 where: short stacking energy: -56.412 Base-Backbone interact. energy: -0.084 local terms energy: -61.457714 where: bonds (distance) C4'-P energy: -12.120 bonds (distance) P-C4' energy: -12.328 flat angles C4'-P-C4' energy: -12.168 flat angles P-C4'-P energy: -8.115 tors. eta vs tors. theta energy: -16.727 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: 1 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -187.714581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.714581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.714581 (E_RNA) where: Base-Base interactions energy: -127.145 where: short stacking energy: -58.076 Base-Backbone interact. energy: -0.004 local terms energy: -60.565171 where: bonds (distance) C4'-P energy: -11.614 bonds (distance) P-C4' energy: -11.904 flat angles C4'-P-C4' energy: -13.886 flat angles P-C4'-P energy: -9.874 tors. eta vs tors. theta energy: -13.287 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: 4 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -187.586806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.586806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.586806 (E_RNA) where: Base-Base interactions energy: -126.712 where: short stacking energy: -52.857 Base-Backbone interact. energy: -0.369 local terms energy: -60.505443 where: bonds (distance) C4'-P energy: -9.650 bonds (distance) P-C4' energy: -13.762 flat angles C4'-P-C4' energy: -14.429 flat angles P-C4'-P energy: -6.483 tors. eta vs tors. theta energy: -16.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -191.639607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.639607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.639607 (E_RNA) where: Base-Base interactions energy: -126.885 where: short stacking energy: -52.536 Base-Backbone interact. energy: -0.222 local terms energy: -64.531777 where: bonds (distance) C4'-P energy: -11.809 bonds (distance) P-C4' energy: -15.579 flat angles C4'-P-C4' energy: -13.009 flat angles P-C4'-P energy: -9.007 tors. eta vs tors. theta energy: -15.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -192.173679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.173679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.173679 (E_RNA) where: Base-Base interactions energy: -136.757 where: short stacking energy: -61.178 Base-Backbone interact. energy: -0.001 local terms energy: -55.415428 where: bonds (distance) C4'-P energy: -10.959 bonds (distance) P-C4' energy: -12.671 flat angles C4'-P-C4' energy: -11.227 flat angles P-C4'-P energy: -1.981 tors. eta vs tors. theta energy: -18.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -170.680430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.680430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.680430 (E_RNA) where: Base-Base interactions energy: -121.506 where: short stacking energy: -52.830 Base-Backbone interact. energy: -0.041 local terms energy: -49.134094 where: bonds (distance) C4'-P energy: -12.568 bonds (distance) P-C4' energy: -11.207 flat angles C4'-P-C4' energy: -6.983 flat angles P-C4'-P energy: -6.866 tors. eta vs tors. theta energy: -11.511 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: 10 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -178.976709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.976709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.976709 (E_RNA) where: Base-Base interactions energy: -125.090 where: short stacking energy: -47.707 Base-Backbone interact. energy: -0.034 local terms energy: -53.853066 where: bonds (distance) C4'-P energy: -8.067 bonds (distance) P-C4' energy: -11.513 flat angles C4'-P-C4' energy: -13.247 flat angles P-C4'-P energy: -4.865 tors. eta vs tors. theta energy: -16.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -67.970058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.970058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.970058 (E_RNA) where: Base-Base interactions energy: -25.762 where: short stacking energy: -17.544 Base-Backbone interact. energy: -0.179 local terms energy: -42.029801 where: bonds (distance) C4'-P energy: -13.416 bonds (distance) P-C4' energy: -9.235 flat angles C4'-P-C4' energy: -9.151 flat angles P-C4'-P energy: -6.624 tors. eta vs tors. theta energy: -3.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -69.774615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.774615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.774615 (E_RNA) where: Base-Base interactions energy: -29.438 where: short stacking energy: -29.438 Base-Backbone interact. energy: -0.057 local terms energy: -40.279601 where: bonds (distance) C4'-P energy: -13.507 bonds (distance) P-C4' energy: -9.610 flat angles C4'-P-C4' energy: -4.945 flat angles P-C4'-P energy: -7.163 tors. eta vs tors. theta energy: -5.053 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: 9 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -203.384302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.384302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.384302 (E_RNA) where: Base-Base interactions energy: -138.116 where: short stacking energy: -61.707 Base-Backbone interact. energy: -0.086 local terms energy: -65.181672 where: bonds (distance) C4'-P energy: -10.725 bonds (distance) P-C4' energy: -13.905 flat angles C4'-P-C4' energy: -14.175 flat angles P-C4'-P energy: -7.386 tors. eta vs tors. theta energy: -18.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -188.903242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.903242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.903242 (E_RNA) where: Base-Base interactions energy: -129.239 where: short stacking energy: -56.717 Base-Backbone interact. energy: -0.002 local terms energy: -59.662540 where: bonds (distance) C4'-P energy: -11.507 bonds (distance) P-C4' energy: -12.799 flat angles C4'-P-C4' energy: -11.904 flat angles P-C4'-P energy: -6.083 tors. eta vs tors. theta energy: -17.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -196.606516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.606516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.606516 (E_RNA) where: Base-Base interactions energy: -135.003 where: short stacking energy: -56.893 Base-Backbone interact. energy: -0.041 local terms energy: -61.562704 where: bonds (distance) C4'-P energy: -10.709 bonds (distance) P-C4' energy: -13.620 flat angles C4'-P-C4' energy: -11.083 flat angles P-C4'-P energy: -11.437 tors. eta vs tors. theta energy: -14.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -195.918259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.918259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.918259 (E_RNA) where: Base-Base interactions energy: -139.455 where: short stacking energy: -60.781 Base-Backbone interact. energy: -0.000 local terms energy: -56.463015 where: bonds (distance) C4'-P energy: -11.599 bonds (distance) P-C4' energy: -11.951 flat angles C4'-P-C4' energy: -13.014 flat angles P-C4'-P energy: -5.132 tors. eta vs tors. theta energy: -14.767 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: 5 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -183.348949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.348949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.348949 (E_RNA) where: Base-Base interactions energy: -132.290 where: short stacking energy: -50.686 Base-Backbone interact. energy: 0.448 local terms energy: -51.506661 where: bonds (distance) C4'-P energy: -7.845 bonds (distance) P-C4' energy: -11.352 flat angles C4'-P-C4' energy: -12.201 flat angles P-C4'-P energy: -5.874 tors. eta vs tors. theta energy: -14.235 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: 7 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -180.359164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.359164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.359164 (E_RNA) where: Base-Base interactions energy: -122.317 where: short stacking energy: -54.838 Base-Backbone interact. energy: 0.041 local terms energy: -58.083920 where: bonds (distance) C4'-P energy: -10.204 bonds (distance) P-C4' energy: -13.088 flat angles C4'-P-C4' energy: -12.832 flat angles P-C4'-P energy: -7.858 tors. eta vs tors. theta energy: -14.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -173.818367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.818367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.818367 (E_RNA) where: Base-Base interactions energy: -123.340 where: short stacking energy: -50.996 Base-Backbone interact. energy: -0.002 local terms energy: -50.476215 where: bonds (distance) C4'-P energy: -11.914 bonds (distance) P-C4' energy: -2.473 flat angles C4'-P-C4' energy: -11.291 flat angles P-C4'-P energy: -9.088 tors. eta vs tors. theta energy: -15.710 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: 6 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -165.122981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.122981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.122981 (E_RNA) where: Base-Base interactions energy: -119.151 where: short stacking energy: -50.090 Base-Backbone interact. energy: -0.026 local terms energy: -45.945766 where: bonds (distance) C4'-P energy: -10.585 bonds (distance) P-C4' energy: -7.571 flat angles C4'-P-C4' energy: -9.679 flat angles P-C4'-P energy: -8.218 tors. eta vs tors. theta energy: -9.893 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: 8 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -73.435526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.435526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.435526 (E_RNA) where: Base-Base interactions energy: -23.486 where: short stacking energy: -23.486 Base-Backbone interact. energy: -0.009 local terms energy: -49.940470 where: bonds (distance) C4'-P energy: -12.261 bonds (distance) P-C4' energy: -12.560 flat angles C4'-P-C4' energy: -10.343 flat angles P-C4'-P energy: -6.898 tors. eta vs tors. theta energy: -7.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -73.640279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.640279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.640279 (E_RNA) where: Base-Base interactions energy: -33.451 where: short stacking energy: -26.716 Base-Backbone interact. energy: -0.096 local terms energy: -40.092674 where: bonds (distance) C4'-P energy: -13.123 bonds (distance) P-C4' energy: -13.977 flat angles C4'-P-C4' energy: -4.325 flat angles P-C4'-P energy: -6.419 tors. eta vs tors. theta energy: -2.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -207.217853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.217853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.217853 (E_RNA) where: Base-Base interactions energy: -141.225 where: short stacking energy: -63.901 Base-Backbone interact. energy: -0.001 local terms energy: -65.991839 where: bonds (distance) C4'-P energy: -12.113 bonds (distance) P-C4' energy: -13.110 flat angles C4'-P-C4' energy: -13.205 flat angles P-C4'-P energy: -11.266 tors. eta vs tors. theta energy: -16.298 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: 2 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -189.654662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.654662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.654662 (E_RNA) where: Base-Base interactions energy: -130.603 where: short stacking energy: -56.949 Base-Backbone interact. energy: -0.003 local terms energy: -59.049078 where: bonds (distance) C4'-P energy: -10.204 bonds (distance) P-C4' energy: -12.560 flat angles C4'-P-C4' energy: -11.384 flat angles P-C4'-P energy: -6.596 tors. eta vs tors. theta energy: -18.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -199.906241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.906241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.906241 (E_RNA) where: Base-Base interactions energy: -139.923 where: short stacking energy: -58.902 Base-Backbone interact. energy: -0.000 local terms energy: -59.982480 where: bonds (distance) C4'-P energy: -12.605 bonds (distance) P-C4' energy: -10.759 flat angles C4'-P-C4' energy: -11.533 flat angles P-C4'-P energy: -9.289 tors. eta vs tors. theta energy: -15.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -181.857036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.857036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.857036 (E_RNA) where: Base-Base interactions energy: -123.701 where: short stacking energy: -52.078 Base-Backbone interact. energy: -0.009 local terms energy: -58.146874 where: bonds (distance) C4'-P energy: -13.077 bonds (distance) P-C4' energy: -12.419 flat angles C4'-P-C4' energy: -12.006 flat angles P-C4'-P energy: -8.083 tors. eta vs tors. theta energy: -12.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -196.544710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.544710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.544710 (E_RNA) where: Base-Base interactions energy: -135.689 where: short stacking energy: -57.021 Base-Backbone interact. energy: 0.142 local terms energy: -60.998016 where: bonds (distance) C4'-P energy: -11.231 bonds (distance) P-C4' energy: -12.343 flat angles C4'-P-C4' energy: -13.470 flat angles P-C4'-P energy: -8.418 tors. eta vs tors. theta energy: -15.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -179.668239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.668239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.668239 (E_RNA) where: Base-Base interactions energy: -122.389 where: short stacking energy: -47.381 Base-Backbone interact. energy: -0.007 local terms energy: -57.272589 where: bonds (distance) C4'-P energy: -12.638 bonds (distance) P-C4' energy: -10.953 flat angles C4'-P-C4' energy: -13.830 flat angles P-C4'-P energy: -6.787 tors. eta vs tors. theta energy: -13.066 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: 7 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -186.208402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.208402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.208402 (E_RNA) where: Base-Base interactions energy: -129.767 where: short stacking energy: -49.810 Base-Backbone interact. energy: -0.000 local terms energy: -56.440904 where: bonds (distance) C4'-P energy: -11.889 bonds (distance) P-C4' energy: -12.278 flat angles C4'-P-C4' energy: -13.115 flat angles P-C4'-P energy: -6.023 tors. eta vs tors. theta energy: -13.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -162.315631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.315631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.315631 (E_RNA) where: Base-Base interactions energy: -114.940 where: short stacking energy: -47.073 Base-Backbone interact. energy: -0.195 local terms energy: -47.180510 where: bonds (distance) C4'-P energy: -4.490 bonds (distance) P-C4' energy: -12.278 flat angles C4'-P-C4' energy: -13.488 flat angles P-C4'-P energy: -8.637 tors. eta vs tors. theta energy: -8.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -86.808881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.808881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.808881 (E_RNA) where: Base-Base interactions energy: -46.136 where: short stacking energy: -32.429 Base-Backbone interact. energy: -0.067 local terms energy: -40.605988 where: bonds (distance) C4'-P energy: -9.874 bonds (distance) P-C4' energy: -15.108 flat angles C4'-P-C4' energy: -11.069 flat angles P-C4'-P energy: -3.448 tors. eta vs tors. theta energy: -1.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -70.914840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.914840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.914840 (E_RNA) where: Base-Base interactions energy: -30.925 where: short stacking energy: -30.925 Base-Backbone interact. energy: -0.198 local terms energy: -39.791361 where: bonds (distance) C4'-P energy: -8.991 bonds (distance) P-C4' energy: -12.834 flat angles C4'-P-C4' energy: -6.549 flat angles P-C4'-P energy: -3.963 tors. eta vs tors. theta energy: -7.454 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: 2 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -203.013278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.013278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.013278 (E_RNA) where: Base-Base interactions energy: -139.830 where: short stacking energy: -58.116 Base-Backbone interact. energy: -0.000 local terms energy: -63.182831 where: bonds (distance) C4'-P energy: -12.402 bonds (distance) P-C4' energy: -11.171 flat angles C4'-P-C4' energy: -13.165 flat angles P-C4'-P energy: -10.776 tors. eta vs tors. theta energy: -15.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -203.312785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.312785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.312785 (E_RNA) where: Base-Base interactions energy: -139.788 where: short stacking energy: -58.578 Base-Backbone interact. energy: -0.003 local terms energy: -63.522040 where: bonds (distance) C4'-P energy: -10.440 bonds (distance) P-C4' energy: -13.050 flat angles C4'-P-C4' energy: -14.960 flat angles P-C4'-P energy: -9.281 tors. eta vs tors. theta energy: -15.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -198.859276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.859276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.859276 (E_RNA) where: Base-Base interactions energy: -133.348 where: short stacking energy: -54.077 Base-Backbone interact. energy: -0.005 local terms energy: -65.505901 where: bonds (distance) C4'-P energy: -13.416 bonds (distance) P-C4' energy: -14.005 flat angles C4'-P-C4' energy: -13.957 flat angles P-C4'-P energy: -7.985 tors. eta vs tors. theta energy: -16.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -181.949922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.949922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.949922 (E_RNA) where: Base-Base interactions energy: -133.116 where: short stacking energy: -48.460 Base-Backbone interact. energy: -0.208 local terms energy: -48.626023 where: bonds (distance) C4'-P energy: -9.447 bonds (distance) P-C4' energy: -10.186 flat angles C4'-P-C4' energy: -7.808 flat angles P-C4'-P energy: -8.180 tors. eta vs tors. theta energy: -13.006 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: 10 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -189.747987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.747987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.747987 (E_RNA) where: Base-Base interactions energy: -134.769 where: short stacking energy: -57.303 Base-Backbone interact. energy: -0.002 local terms energy: -54.976777 where: bonds (distance) C4'-P energy: -6.995 bonds (distance) P-C4' energy: -9.623 flat angles C4'-P-C4' energy: -14.089 flat angles P-C4'-P energy: -9.697 tors. eta vs tors. theta energy: -14.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -194.562191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.562191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.562191 (E_RNA) where: Base-Base interactions energy: -132.434 where: short stacking energy: -51.246 Base-Backbone interact. energy: -0.124 local terms energy: -62.004385 where: bonds (distance) C4'-P energy: -11.853 bonds (distance) P-C4' energy: -13.867 flat angles C4'-P-C4' energy: -10.328 flat angles P-C4'-P energy: -8.311 tors. eta vs tors. theta energy: -17.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -182.897988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.897988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.897988 (E_RNA) where: Base-Base interactions energy: -119.848 where: short stacking energy: -48.909 Base-Backbone interact. energy: -0.245 local terms energy: -62.805099 where: bonds (distance) C4'-P energy: -12.075 bonds (distance) P-C4' energy: -13.497 flat angles C4'-P-C4' energy: -11.073 flat angles P-C4'-P energy: -8.271 tors. eta vs tors. theta energy: -17.889 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: 7 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -177.927133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.927133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.927133 (E_RNA) where: Base-Base interactions energy: -122.971 where: short stacking energy: -48.646 Base-Backbone interact. energy: -0.012 local terms energy: -54.943804 where: bonds (distance) C4'-P energy: -9.388 bonds (distance) P-C4' energy: -14.520 flat angles C4'-P-C4' energy: -12.252 flat angles P-C4'-P energy: -7.145 tors. eta vs tors. theta energy: -11.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -64.693741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.693741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.693741 (E_RNA) where: Base-Base interactions energy: -20.881 where: short stacking energy: -19.283 Base-Backbone interact. energy: -0.048 local terms energy: -43.765051 where: bonds (distance) C4'-P energy: -13.380 bonds (distance) P-C4' energy: -13.874 flat angles C4'-P-C4' energy: -9.205 flat angles P-C4'-P energy: -7.088 tors. eta vs tors. theta energy: -0.218 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: 8 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -55.097077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.097077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.097077 (E_RNA) where: Base-Base interactions energy: -21.701 where: short stacking energy: -10.995 Base-Backbone interact. energy: -0.141 local terms energy: -33.254637 where: bonds (distance) C4'-P energy: -12.645 bonds (distance) P-C4' energy: -7.925 flat angles C4'-P-C4' energy: -12.763 flat angles P-C4'-P energy: -1.473 tors. eta vs tors. theta energy: 1.551 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: 2 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -199.968547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.968547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.968547 (E_RNA) where: Base-Base interactions energy: -136.971 where: short stacking energy: -56.837 Base-Backbone interact. energy: -0.219 local terms energy: -62.778547 where: bonds (distance) C4'-P energy: -9.027 bonds (distance) P-C4' energy: -14.181 flat angles C4'-P-C4' energy: -15.029 flat angles P-C4'-P energy: -10.018 tors. eta vs tors. theta energy: -14.523 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: 2, replica: 9 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -195.507340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.507340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.507340 (E_RNA) where: Base-Base interactions energy: -138.017 where: short stacking energy: -61.486 Base-Backbone interact. energy: 0.157 local terms energy: -57.647142 where: bonds (distance) C4'-P energy: -12.713 bonds (distance) P-C4' energy: -8.505 flat angles C4'-P-C4' energy: -13.590 flat angles P-C4'-P energy: -8.057 tors. eta vs tors. theta energy: -14.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -195.676779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.676779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.676779 (E_RNA) where: Base-Base interactions energy: -131.635 where: short stacking energy: -58.183 Base-Backbone interact. energy: -0.004 local terms energy: -64.037248 where: bonds (distance) C4'-P energy: -11.612 bonds (distance) P-C4' energy: -13.275 flat angles C4'-P-C4' energy: -14.017 flat angles P-C4'-P energy: -7.396 tors. eta vs tors. theta energy: -17.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -195.325367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.325367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.325367 (E_RNA) where: Base-Base interactions energy: -136.131 where: short stacking energy: -60.610 Base-Backbone interact. energy: -0.003 local terms energy: -59.191589 where: bonds (distance) C4'-P energy: -7.865 bonds (distance) P-C4' energy: -13.128 flat angles C4'-P-C4' energy: -13.946 flat angles P-C4'-P energy: -9.121 tors. eta vs tors. theta energy: -15.132 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: 10 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -188.153111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.153111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.153111 (E_RNA) where: Base-Base interactions energy: -131.282 where: short stacking energy: -44.191 Base-Backbone interact. energy: -0.033 local terms energy: -56.838427 where: bonds (distance) C4'-P energy: -11.132 bonds (distance) P-C4' energy: -13.733 flat angles C4'-P-C4' energy: -12.696 flat angles P-C4'-P energy: -7.848 tors. eta vs tors. theta energy: -11.429 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: 6, replica: 1 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -192.698463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.698463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.698463 (E_RNA) where: Base-Base interactions energy: -135.230 where: short stacking energy: -55.086 Base-Backbone interact. energy: -0.005 local terms energy: -57.463190 where: bonds (distance) C4'-P energy: -10.415 bonds (distance) P-C4' energy: -12.505 flat angles C4'-P-C4' energy: -12.178 flat angles P-C4'-P energy: -4.762 tors. eta vs tors. theta energy: -17.604 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: 6 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -174.829349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.829349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.829349 (E_RNA) where: Base-Base interactions energy: -120.117 where: short stacking energy: -48.386 Base-Backbone interact. energy: -0.054 local terms energy: -54.658309 where: bonds (distance) C4'-P energy: -12.439 bonds (distance) P-C4' energy: -10.055 flat angles C4'-P-C4' energy: -8.768 flat angles P-C4'-P energy: -8.667 tors. eta vs tors. theta energy: -14.729 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: 7 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -175.721360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.721360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.721360 (E_RNA) where: Base-Base interactions energy: -116.854 where: short stacking energy: -44.858 Base-Backbone interact. energy: -0.616 local terms energy: -58.251127 where: bonds (distance) C4'-P energy: -13.434 bonds (distance) P-C4' energy: -14.331 flat angles C4'-P-C4' energy: -9.761 flat angles P-C4'-P energy: -8.104 tors. eta vs tors. theta energy: -12.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -70.408388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.408388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.408388 (E_RNA) where: Base-Base interactions energy: -26.941 where: short stacking energy: -21.556 Base-Backbone interact. energy: -0.054 local terms energy: -43.413060 where: bonds (distance) C4'-P energy: -12.427 bonds (distance) P-C4' energy: -9.334 flat angles C4'-P-C4' energy: -12.701 flat angles P-C4'-P energy: -5.625 tors. eta vs tors. theta energy: -3.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -67.739476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.739476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.739476 (E_RNA) where: Base-Base interactions energy: -28.977 where: short stacking energy: -27.726 Base-Backbone interact. energy: -0.536 local terms energy: -38.226751 where: bonds (distance) C4'-P energy: -11.586 bonds (distance) P-C4' energy: -7.233 flat angles C4'-P-C4' energy: -7.441 flat angles P-C4'-P energy: -8.086 tors. eta vs tors. theta energy: -3.881 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: 9 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -207.518793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.518793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.518793 (E_RNA) where: Base-Base interactions energy: -141.876 where: short stacking energy: -59.036 Base-Backbone interact. energy: -0.090 local terms energy: -65.552691 where: bonds (distance) C4'-P energy: -10.870 bonds (distance) P-C4' energy: -15.351 flat angles C4'-P-C4' energy: -11.796 flat angles P-C4'-P energy: -10.066 tors. eta vs tors. theta energy: -17.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -185.396617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.396617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.396617 (E_RNA) where: Base-Base interactions energy: -131.015 where: short stacking energy: -60.014 Base-Backbone interact. energy: -0.103 local terms energy: -54.278897 where: bonds (distance) C4'-P energy: -9.722 bonds (distance) P-C4' energy: -4.270 flat angles C4'-P-C4' energy: -15.120 flat angles P-C4'-P energy: -8.645 tors. eta vs tors. theta energy: -16.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -200.119116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.119116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.119116 (E_RNA) where: Base-Base interactions energy: -137.856 where: short stacking energy: -56.185 Base-Backbone interact. energy: 1.432 local terms energy: -63.694849 where: bonds (distance) C4'-P energy: -12.235 bonds (distance) P-C4' energy: -13.144 flat angles C4'-P-C4' energy: -14.378 flat angles P-C4'-P energy: -9.110 tors. eta vs tors. theta energy: -14.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -192.846812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.846812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.846812 (E_RNA) where: Base-Base interactions energy: -140.342 where: short stacking energy: -57.340 Base-Backbone interact. energy: -0.008 local terms energy: -52.496735 where: bonds (distance) C4'-P energy: -12.791 bonds (distance) P-C4' energy: -7.722 flat angles C4'-P-C4' energy: -12.156 flat angles P-C4'-P energy: -5.300 tors. eta vs tors. theta energy: -14.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -188.481690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.481690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.481690 (E_RNA) where: Base-Base interactions energy: -125.100 where: short stacking energy: -51.989 Base-Backbone interact. energy: -0.001 local terms energy: -63.380727 where: bonds (distance) C4'-P energy: -13.371 bonds (distance) P-C4' energy: -12.966 flat angles C4'-P-C4' energy: -13.470 flat angles P-C4'-P energy: -8.090 tors. eta vs tors. theta energy: -15.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -183.025014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.025014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.025014 (E_RNA) where: Base-Base interactions energy: -125.967 where: short stacking energy: -47.855 Base-Backbone interact. energy: -0.055 local terms energy: -57.003121 where: bonds (distance) C4'-P energy: -11.279 bonds (distance) P-C4' energy: -8.618 flat angles C4'-P-C4' energy: -13.301 flat angles P-C4'-P energy: -11.496 tors. eta vs tors. theta energy: -12.308 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: 7 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -172.697926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.697926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.697926 (E_RNA) where: Base-Base interactions energy: -116.669 where: short stacking energy: -45.479 Base-Backbone interact. energy: -1.397 local terms energy: -54.631237 where: bonds (distance) C4'-P energy: -11.463 bonds (distance) P-C4' energy: -10.481 flat angles C4'-P-C4' energy: -11.344 flat angles P-C4'-P energy: -9.676 tors. eta vs tors. theta energy: -11.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -162.822720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.822720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.822720 (E_RNA) where: Base-Base interactions energy: -113.464 where: short stacking energy: -48.486 Base-Backbone interact. energy: -0.464 local terms energy: -48.894789 where: bonds (distance) C4'-P energy: -8.448 bonds (distance) P-C4' energy: -11.754 flat angles C4'-P-C4' energy: -9.614 flat angles P-C4'-P energy: -7.002 tors. eta vs tors. theta energy: -12.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -70.345994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.345994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.345994 (E_RNA) where: Base-Base interactions energy: -24.466 where: short stacking energy: -23.908 Base-Backbone interact. energy: -0.244 local terms energy: -45.635741 where: bonds (distance) C4'-P energy: -12.191 bonds (distance) P-C4' energy: -10.045 flat angles C4'-P-C4' energy: -12.002 flat angles P-C4'-P energy: -5.314 tors. eta vs tors. theta energy: -6.083 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: 3 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -67.840548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.840548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.840548 (E_RNA) where: Base-Base interactions energy: -30.611 where: short stacking energy: -21.732 Base-Backbone interact. energy: -0.118 local terms energy: -37.111380 where: bonds (distance) C4'-P energy: -12.494 bonds (distance) P-C4' energy: -11.693 flat angles C4'-P-C4' energy: -8.908 flat angles P-C4'-P energy: -6.263 tors. eta vs tors. theta energy: 2.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -204.809697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.809697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.809697 (E_RNA) where: Base-Base interactions energy: -146.315 where: short stacking energy: -62.698 Base-Backbone interact. energy: -0.278 local terms energy: -58.217156 where: bonds (distance) C4'-P energy: -10.580 bonds (distance) P-C4' energy: -10.550 flat angles C4'-P-C4' energy: -13.038 flat angles P-C4'-P energy: -6.695 tors. eta vs tors. theta energy: -17.355 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: 219 Temperature: 0.950000 Total energy: -201.276259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.276259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.276259 (E_RNA) where: Base-Base interactions energy: -137.858 where: short stacking energy: -57.445 Base-Backbone interact. energy: -1.182 local terms energy: -62.235859 where: bonds (distance) C4'-P energy: -10.511 bonds (distance) P-C4' energy: -13.634 flat angles C4'-P-C4' energy: -13.003 flat angles P-C4'-P energy: -8.362 tors. eta vs tors. theta energy: -16.726 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: 2 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -193.049639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.049639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.049639 (E_RNA) where: Base-Base interactions energy: -132.981 where: short stacking energy: -54.254 Base-Backbone interact. energy: -0.002 local terms energy: -60.066661 where: bonds (distance) C4'-P energy: -10.176 bonds (distance) P-C4' energy: -12.401 flat angles C4'-P-C4' energy: -14.135 flat angles P-C4'-P energy: -6.538 tors. eta vs tors. theta energy: -16.816 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: 4 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -197.159084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.159084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.159084 (E_RNA) where: Base-Base interactions energy: -132.564 where: short stacking energy: -58.032 Base-Backbone interact. energy: -0.001 local terms energy: -64.593492 where: bonds (distance) C4'-P energy: -12.589 bonds (distance) P-C4' energy: -12.711 flat angles C4'-P-C4' energy: -14.837 flat angles P-C4'-P energy: -7.564 tors. eta vs tors. theta energy: -16.892 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: 219 Temperature: 1.100000 Total energy: -187.820887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.820887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.820887 (E_RNA) where: Base-Base interactions energy: -135.838 where: short stacking energy: -56.423 Base-Backbone interact. energy: 1.559 local terms energy: -53.541862 where: bonds (distance) C4'-P energy: -5.720 bonds (distance) P-C4' energy: -9.410 flat angles C4'-P-C4' energy: -14.882 flat angles P-C4'-P energy: -9.731 tors. eta vs tors. theta energy: -13.799 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: 6, replica: 7 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -176.700377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.700377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.700377 (E_RNA) where: Base-Base interactions energy: -123.134 where: short stacking energy: -57.957 Base-Backbone interact. energy: 0.260 local terms energy: -53.826047 where: bonds (distance) C4'-P energy: -8.284 bonds (distance) P-C4' energy: -7.761 flat angles C4'-P-C4' energy: -11.783 flat angles P-C4'-P energy: -9.653 tors. eta vs tors. theta energy: -16.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -168.444088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.444088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.444088 (E_RNA) where: Base-Base interactions energy: -110.639 where: short stacking energy: -44.810 Base-Backbone interact. energy: -0.397 local terms energy: -57.407932 where: bonds (distance) C4'-P energy: -7.634 bonds (distance) P-C4' energy: -15.094 flat angles C4'-P-C4' energy: -11.934 flat angles P-C4'-P energy: -10.815 tors. eta vs tors. theta energy: -11.932 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: 8, replica: 6 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -169.967465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.967465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.967465 (E_RNA) where: Base-Base interactions energy: -130.372 where: short stacking energy: -47.855 Base-Backbone interact. energy: -0.080 local terms energy: -39.516197 where: bonds (distance) C4'-P energy: -10.779 bonds (distance) P-C4' energy: -7.999 flat angles C4'-P-C4' energy: -10.582 flat angles P-C4'-P energy: -2.206 tors. eta vs tors. theta energy: -7.950 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: 8 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -77.091097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.091097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.091097 (E_RNA) where: Base-Base interactions energy: -24.191 where: short stacking energy: -24.149 Base-Backbone interact. energy: -0.545 local terms energy: -52.355472 where: bonds (distance) C4'-P energy: -13.403 bonds (distance) P-C4' energy: -13.727 flat angles C4'-P-C4' energy: -12.509 flat angles P-C4'-P energy: -7.959 tors. eta vs tors. theta energy: -4.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -78.742899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.742899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.742899 (E_RNA) where: Base-Base interactions energy: -39.873 where: short stacking energy: -25.218 Base-Backbone interact. energy: -2.202 local terms energy: -36.667480 where: bonds (distance) C4'-P energy: -10.034 bonds (distance) P-C4' energy: -10.080 flat angles C4'-P-C4' energy: -6.215 flat angles P-C4'-P energy: -6.080 tors. eta vs tors. theta energy: -4.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -201.556781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.556781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.556781 (E_RNA) where: Base-Base interactions energy: -139.446 where: short stacking energy: -59.344 Base-Backbone interact. energy: -0.027 local terms energy: -62.084589 where: bonds (distance) C4'-P energy: -10.452 bonds (distance) P-C4' energy: -13.637 flat angles C4'-P-C4' energy: -14.227 flat angles P-C4'-P energy: -5.615 tors. eta vs tors. theta energy: -18.154 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: 5 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -202.135854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.135854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.135854 (E_RNA) where: Base-Base interactions energy: -138.634 where: short stacking energy: -58.718 Base-Backbone interact. energy: -0.000 local terms energy: -63.501893 where: bonds (distance) C4'-P energy: -12.468 bonds (distance) P-C4' energy: -10.217 flat angles C4'-P-C4' energy: -13.863 flat angles P-C4'-P energy: -11.133 tors. eta vs tors. theta energy: -15.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -195.341299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.341299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.341299 (E_RNA) where: Base-Base interactions energy: -130.109 where: short stacking energy: -54.642 Base-Backbone interact. energy: -0.042 local terms energy: -65.191257 where: bonds (distance) C4'-P energy: -13.532 bonds (distance) P-C4' energy: -11.728 flat angles C4'-P-C4' energy: -13.868 flat angles P-C4'-P energy: -9.182 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: 4, replica: 2 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -193.892427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.892427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.892427 (E_RNA) where: Base-Base interactions energy: -135.353 where: short stacking energy: -58.368 Base-Backbone interact. energy: -0.019 local terms energy: -58.519730 where: bonds (distance) C4'-P energy: -8.421 bonds (distance) P-C4' energy: -13.113 flat angles C4'-P-C4' energy: -11.167 flat angles P-C4'-P energy: -8.460 tors. eta vs tors. theta energy: -17.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -189.945403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.945403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.945403 (E_RNA) where: Base-Base interactions energy: -132.677 where: short stacking energy: -59.365 Base-Backbone interact. energy: 0.754 local terms energy: -58.022050 where: bonds (distance) C4'-P energy: -7.404 bonds (distance) P-C4' energy: -12.588 flat angles C4'-P-C4' energy: -13.921 flat angles P-C4'-P energy: -8.122 tors. eta vs tors. theta energy: -15.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -178.953949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.953949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.953949 (E_RNA) where: Base-Base interactions energy: -124.131 where: short stacking energy: -53.789 Base-Backbone interact. energy: -0.071 local terms energy: -54.752592 where: bonds (distance) C4'-P energy: -9.317 bonds (distance) P-C4' energy: -13.765 flat angles C4'-P-C4' energy: -13.715 flat angles P-C4'-P energy: -6.271 tors. eta vs tors. theta energy: -11.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -184.525618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.525618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.525618 (E_RNA) where: Base-Base interactions energy: -129.016 where: short stacking energy: -54.827 Base-Backbone interact. energy: -0.002 local terms energy: -55.507643 where: bonds (distance) C4'-P energy: -12.038 bonds (distance) P-C4' energy: -10.758 flat angles C4'-P-C4' energy: -12.895 flat angles P-C4'-P energy: -7.974 tors. eta vs tors. theta energy: -11.843 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: 10 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -164.502423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.502423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.502423 (E_RNA) where: Base-Base interactions energy: -114.056 where: short stacking energy: -47.763 Base-Backbone interact. energy: -0.354 local terms energy: -50.092617 where: bonds (distance) C4'-P energy: -9.691 bonds (distance) P-C4' energy: -10.929 flat angles C4'-P-C4' energy: -8.115 flat angles P-C4'-P energy: -10.853 tors. eta vs tors. theta energy: -10.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -77.462346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.462346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.462346 (E_RNA) where: Base-Base interactions energy: -37.904 where: short stacking energy: -23.645 Base-Backbone interact. energy: -0.002 local terms energy: -39.556427 where: bonds (distance) C4'-P energy: -10.016 bonds (distance) P-C4' energy: -9.613 flat angles C4'-P-C4' energy: -12.329 flat angles P-C4'-P energy: -7.821 tors. eta vs tors. theta energy: 0.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -63.537189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.537189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.537189 (E_RNA) where: Base-Base interactions energy: -20.584 where: short stacking energy: -14.765 Base-Backbone interact. energy: 1.236 local terms energy: -44.189227 where: bonds (distance) C4'-P energy: -13.219 bonds (distance) P-C4' energy: -9.933 flat angles C4'-P-C4' energy: -12.109 flat angles P-C4'-P energy: -10.418 tors. eta vs tors. theta energy: 1.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -204.342144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.342144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.342144 (E_RNA) where: Base-Base interactions energy: -140.753 where: short stacking energy: -54.028 Base-Backbone interact. energy: -0.001 local terms energy: -63.588056 where: bonds (distance) C4'-P energy: -12.245 bonds (distance) P-C4' energy: -14.914 flat angles C4'-P-C4' energy: -12.583 flat angles P-C4'-P energy: -5.559 tors. eta vs tors. theta energy: -18.287 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: 4 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -199.960090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.960090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.960090 (E_RNA) where: Base-Base interactions energy: -141.211 where: short stacking energy: -55.749 Base-Backbone interact. energy: -0.522 local terms energy: -58.227491 where: bonds (distance) C4'-P energy: -10.870 bonds (distance) P-C4' energy: -11.705 flat angles C4'-P-C4' energy: -10.345 flat angles P-C4'-P energy: -7.816 tors. eta vs tors. theta energy: -17.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -201.125398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.125398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.125398 (E_RNA) where: Base-Base interactions energy: -145.251 where: short stacking energy: -64.035 Base-Backbone interact. energy: -0.005 local terms energy: -55.869255 where: bonds (distance) C4'-P energy: -8.959 bonds (distance) P-C4' energy: -9.959 flat angles C4'-P-C4' energy: -14.479 flat angles P-C4'-P energy: -3.504 tors. eta vs tors. theta energy: -18.968 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: 2 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -186.925534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.925534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.925534 (E_RNA) where: Base-Base interactions energy: -124.771 where: short stacking energy: -62.567 Base-Backbone interact. energy: -0.005 local terms energy: -62.149251 where: bonds (distance) C4'-P energy: -11.619 bonds (distance) P-C4' energy: -13.055 flat angles C4'-P-C4' energy: -14.579 flat angles P-C4'-P energy: -6.246 tors. eta vs tors. theta energy: -16.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -186.113044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.113044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.113044 (E_RNA) where: Base-Base interactions energy: -133.540 where: short stacking energy: -54.792 Base-Backbone interact. energy: -0.002 local terms energy: -52.571638 where: bonds (distance) C4'-P energy: -8.334 bonds (distance) P-C4' energy: -7.724 flat angles C4'-P-C4' energy: -12.869 flat angles P-C4'-P energy: -9.785 tors. eta vs tors. theta energy: -13.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -184.000330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.000330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.000330 (E_RNA) where: Base-Base interactions energy: -125.551 where: short stacking energy: -52.642 Base-Backbone interact. energy: -0.015 local terms energy: -58.434188 where: bonds (distance) C4'-P energy: -12.416 bonds (distance) P-C4' energy: -13.435 flat angles C4'-P-C4' energy: -12.925 flat angles P-C4'-P energy: -5.240 tors. eta vs tors. theta energy: -14.419 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: 1 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -162.817650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.817650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.817650 (E_RNA) where: Base-Base interactions energy: -112.901 where: short stacking energy: -44.580 Base-Backbone interact. energy: 0.141 local terms energy: -50.057655 where: bonds (distance) C4'-P energy: -10.018 bonds (distance) P-C4' energy: -11.810 flat angles C4'-P-C4' energy: -9.836 flat angles P-C4'-P energy: -11.680 tors. eta vs tors. theta energy: -6.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -167.775579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.775579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.775579 (E_RNA) where: Base-Base interactions energy: -114.584 where: short stacking energy: -46.321 Base-Backbone interact. energy: -0.405 local terms energy: -52.786213 where: bonds (distance) C4'-P energy: -11.305 bonds (distance) P-C4' energy: -12.669 flat angles C4'-P-C4' energy: -7.645 flat angles P-C4'-P energy: -8.999 tors. eta vs tors. theta energy: -12.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -74.759035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.759035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.759035 (E_RNA) where: Base-Base interactions energy: -35.262 where: short stacking energy: -17.883 Base-Backbone interact. energy: -0.840 local terms energy: -38.656509 where: bonds (distance) C4'-P energy: -8.895 bonds (distance) P-C4' energy: -11.500 flat angles C4'-P-C4' energy: -11.736 flat angles P-C4'-P energy: -7.365 tors. eta vs tors. theta energy: 0.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -62.225447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.225447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.225447 (E_RNA) where: Base-Base interactions energy: -21.066 where: short stacking energy: -16.974 Base-Backbone interact. energy: -0.011 local terms energy: -41.148436 where: bonds (distance) C4'-P energy: -9.964 bonds (distance) P-C4' energy: -11.063 flat angles C4'-P-C4' energy: -12.477 flat angles P-C4'-P energy: -6.214 tors. eta vs tors. theta energy: -1.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -203.985811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.985811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.985811 (E_RNA) where: Base-Base interactions energy: -142.607 where: short stacking energy: -60.757 Base-Backbone interact. energy: -0.005 local terms energy: -61.373555 where: bonds (distance) C4'-P energy: -14.145 bonds (distance) P-C4' energy: -12.842 flat angles C4'-P-C4' energy: -13.038 flat angles P-C4'-P energy: -5.869 tors. eta vs tors. theta energy: -15.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -199.248009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.248009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.248009 (E_RNA) where: Base-Base interactions energy: -135.353 where: short stacking energy: -55.413 Base-Backbone interact. energy: -0.002 local terms energy: -63.892511 where: bonds (distance) C4'-P energy: -13.690 bonds (distance) P-C4' energy: -13.248 flat angles C4'-P-C4' energy: -13.154 flat angles P-C4'-P energy: -10.244 tors. eta vs tors. theta energy: -13.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -194.885072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.885072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.885072 (E_RNA) where: Base-Base interactions energy: -132.220 where: short stacking energy: -55.221 Base-Backbone interact. energy: -0.449 local terms energy: -62.216361 where: bonds (distance) C4'-P energy: -9.499 bonds (distance) P-C4' energy: -13.130 flat angles C4'-P-C4' energy: -11.697 flat angles P-C4'-P energy: -10.575 tors. eta vs tors. theta energy: -17.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -175.371498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.371498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.371498 (E_RNA) where: Base-Base interactions energy: -120.514 where: short stacking energy: -45.198 Base-Backbone interact. energy: -0.130 local terms energy: -54.728406 where: bonds (distance) C4'-P energy: -10.830 bonds (distance) P-C4' energy: -12.368 flat angles C4'-P-C4' energy: -14.634 flat angles P-C4'-P energy: -7.162 tors. eta vs tors. theta energy: -9.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -185.460715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.460715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.460715 (E_RNA) where: Base-Base interactions energy: -120.595 where: short stacking energy: -57.293 Base-Backbone interact. energy: -0.005 local terms energy: -64.861003 where: bonds (distance) C4'-P energy: -11.355 bonds (distance) P-C4' energy: -11.257 flat angles C4'-P-C4' energy: -13.808 flat angles P-C4'-P energy: -10.590 tors. eta vs tors. theta energy: -17.852 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: 222 Temperature: 1.150000 Total energy: -194.578067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.578067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.578067 (E_RNA) where: Base-Base interactions energy: -136.633 where: short stacking energy: -58.115 Base-Backbone interact. energy: -0.005 local terms energy: -57.939732 where: bonds (distance) C4'-P energy: -11.330 bonds (distance) P-C4' energy: -9.438 flat angles C4'-P-C4' energy: -14.219 flat angles P-C4'-P energy: -9.460 tors. eta vs tors. theta energy: -13.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -175.513068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.513068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.513068 (E_RNA) where: Base-Base interactions energy: -122.204 where: short stacking energy: -49.212 Base-Backbone interact. energy: -0.017 local terms energy: -53.292007 where: bonds (distance) C4'-P energy: -10.089 bonds (distance) P-C4' energy: -9.554 flat angles C4'-P-C4' energy: -12.042 flat angles P-C4'-P energy: -9.084 tors. eta vs tors. theta energy: -12.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -170.345694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.345694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.345694 (E_RNA) where: Base-Base interactions energy: -108.110 where: short stacking energy: -38.358 Base-Backbone interact. energy: -0.095 local terms energy: -62.140884 where: bonds (distance) C4'-P energy: -9.483 bonds (distance) P-C4' energy: -15.122 flat angles C4'-P-C4' energy: -12.170 flat angles P-C4'-P energy: -10.802 tors. eta vs tors. theta energy: -14.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -62.329757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.329757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.329757 (E_RNA) where: Base-Base interactions energy: -22.517 where: short stacking energy: -22.517 Base-Backbone interact. energy: -0.075 local terms energy: -39.737644 where: bonds (distance) C4'-P energy: -9.909 bonds (distance) P-C4' energy: -10.773 flat angles C4'-P-C4' energy: -12.928 flat angles P-C4'-P energy: -4.651 tors. eta vs tors. theta energy: -1.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -67.099509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.099509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.099509 (E_RNA) where: Base-Base interactions energy: -26.647 where: short stacking energy: -14.713 Base-Backbone interact. energy: -0.078 local terms energy: -40.374839 where: bonds (distance) C4'-P energy: -8.454 bonds (distance) P-C4' energy: -13.988 flat angles C4'-P-C4' energy: -6.516 flat angles P-C4'-P energy: -8.872 tors. eta vs tors. theta energy: -2.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -200.711415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.711415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.711415 (E_RNA) where: Base-Base interactions energy: -139.842 where: short stacking energy: -59.306 Base-Backbone interact. energy: -0.009 local terms energy: -60.860817 where: bonds (distance) C4'-P energy: -10.427 bonds (distance) P-C4' energy: -13.871 flat angles C4'-P-C4' energy: -14.733 flat angles P-C4'-P energy: -9.521 tors. eta vs tors. theta energy: -12.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -200.544131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.544131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.544131 (E_RNA) where: Base-Base interactions energy: -136.993 where: short stacking energy: -60.269 Base-Backbone interact. energy: -0.001 local terms energy: -63.549306 where: bonds (distance) C4'-P energy: -13.335 bonds (distance) P-C4' energy: -13.683 flat angles C4'-P-C4' energy: -13.812 flat angles P-C4'-P energy: -6.078 tors. eta vs tors. theta energy: -16.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -198.687836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.687836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.687836 (E_RNA) where: Base-Base interactions energy: -138.500 where: short stacking energy: -60.456 Base-Backbone interact. energy: -0.000 local terms energy: -60.187960 where: bonds (distance) C4'-P energy: -11.996 bonds (distance) P-C4' energy: -10.094 flat angles C4'-P-C4' energy: -13.255 flat angles P-C4'-P energy: -10.148 tors. eta vs tors. theta energy: -14.696 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: 6 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -183.192187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.192187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.192187 (E_RNA) where: Base-Base interactions energy: -122.034 where: short stacking energy: -55.501 Base-Backbone interact. energy: -0.002 local terms energy: -61.155551 where: bonds (distance) C4'-P energy: -8.010 bonds (distance) P-C4' energy: -13.205 flat angles C4'-P-C4' energy: -12.102 flat angles P-C4'-P energy: -11.945 tors. eta vs tors. theta energy: -15.893 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: 2 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -185.823940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.823940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.823940 (E_RNA) where: Base-Base interactions energy: -120.513 where: short stacking energy: -51.879 Base-Backbone interact. energy: -0.169 local terms energy: -65.142016 where: bonds (distance) C4'-P energy: -12.062 bonds (distance) P-C4' energy: -11.412 flat angles C4'-P-C4' energy: -14.867 flat angles P-C4'-P energy: -10.773 tors. eta vs tors. theta energy: -16.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -182.542603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.542603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.542603 (E_RNA) where: Base-Base interactions energy: -122.207 where: short stacking energy: -49.971 Base-Backbone interact. energy: -0.015 local terms energy: -60.320409 where: bonds (distance) C4'-P energy: -9.492 bonds (distance) P-C4' energy: -13.793 flat angles C4'-P-C4' energy: -12.944 flat angles P-C4'-P energy: -10.982 tors. eta vs tors. theta energy: -13.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -170.366259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.366259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.366259 (E_RNA) where: Base-Base interactions energy: -120.430 where: short stacking energy: -50.661 Base-Backbone interact. energy: -0.116 local terms energy: -49.819772 where: bonds (distance) C4'-P energy: -8.904 bonds (distance) P-C4' energy: -10.841 flat angles C4'-P-C4' energy: -11.679 flat angles P-C4'-P energy: -7.938 tors. eta vs tors. theta energy: -10.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -172.011383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.011383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.011383 (E_RNA) where: Base-Base interactions energy: -111.477 where: short stacking energy: -45.937 Base-Backbone interact. energy: -0.007 local terms energy: -60.526986 where: bonds (distance) C4'-P energy: -13.255 bonds (distance) P-C4' energy: -10.135 flat angles C4'-P-C4' energy: -13.949 flat angles P-C4'-P energy: -10.943 tors. eta vs tors. theta energy: -12.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -61.192955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.192955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.192955 (E_RNA) where: Base-Base interactions energy: -17.367 where: short stacking energy: -17.367 Base-Backbone interact. energy: -0.161 local terms energy: -43.665615 where: bonds (distance) C4'-P energy: -12.120 bonds (distance) P-C4' energy: -12.082 flat angles C4'-P-C4' energy: -12.430 flat angles P-C4'-P energy: -5.215 tors. eta vs tors. theta energy: -1.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -58.636993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.636993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.636993 (E_RNA) where: Base-Base interactions energy: -11.931 where: short stacking energy: -11.460 Base-Backbone interact. energy: -0.842 local terms energy: -45.864258 where: bonds (distance) C4'-P energy: -11.935 bonds (distance) P-C4' energy: -14.199 flat angles C4'-P-C4' energy: -10.242 flat angles P-C4'-P energy: -7.403 tors. eta vs tors. theta energy: -2.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -208.509229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.509229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.509229 (E_RNA) where: Base-Base interactions energy: -142.108 where: short stacking energy: -60.280 Base-Backbone interact. energy: -0.000 local terms energy: -66.401082 where: bonds (distance) C4'-P energy: -13.788 bonds (distance) P-C4' energy: -12.211 flat angles C4'-P-C4' energy: -13.523 flat angles P-C4'-P energy: -8.698 tors. eta vs tors. theta energy: -18.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -204.303142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.303142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.303142 (E_RNA) where: Base-Base interactions energy: -139.019 where: short stacking energy: -61.220 Base-Backbone interact. energy: -0.008 local terms energy: -65.276193 where: bonds (distance) C4'-P energy: -13.206 bonds (distance) P-C4' energy: -13.180 flat angles C4'-P-C4' energy: -14.247 flat angles P-C4'-P energy: -7.289 tors. eta vs tors. theta energy: -17.355 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: 3, replica: 6 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -191.680797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.680797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.680797 (E_RNA) where: Base-Base interactions energy: -136.051 where: short stacking energy: -58.791 Base-Backbone interact. energy: 0.345 local terms energy: -55.973932 where: bonds (distance) C4'-P energy: -12.618 bonds (distance) P-C4' energy: -10.788 flat angles C4'-P-C4' energy: -12.334 flat angles P-C4'-P energy: -6.386 tors. eta vs tors. theta energy: -13.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -194.790882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.790882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.790882 (E_RNA) where: Base-Base interactions energy: -137.267 where: short stacking energy: -58.598 Base-Backbone interact. energy: -0.090 local terms energy: -57.433934 where: bonds (distance) C4'-P energy: -11.346 bonds (distance) P-C4' energy: -12.445 flat angles C4'-P-C4' energy: -13.720 flat angles P-C4'-P energy: -4.788 tors. eta vs tors. theta energy: -15.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -189.612317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.612317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.612317 (E_RNA) where: Base-Base interactions energy: -135.763 where: short stacking energy: -59.628 Base-Backbone interact. energy: -0.189 local terms energy: -53.660886 where: bonds (distance) C4'-P energy: -13.375 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -10.672 flat angles P-C4'-P energy: -4.467 tors. eta vs tors. theta energy: -17.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -187.655083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.655083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.655083 (E_RNA) where: Base-Base interactions energy: -129.983 where: short stacking energy: -54.729 Base-Backbone interact. energy: -0.157 local terms energy: -57.515349 where: bonds (distance) C4'-P energy: -13.674 bonds (distance) P-C4' energy: -9.073 flat angles C4'-P-C4' energy: -12.794 flat angles P-C4'-P energy: -6.316 tors. eta vs tors. theta energy: -15.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -182.124365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.124365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.124365 (E_RNA) where: Base-Base interactions energy: -125.842 where: short stacking energy: -52.974 Base-Backbone interact. energy: -0.014 local terms energy: -56.268656 where: bonds (distance) C4'-P energy: -12.034 bonds (distance) P-C4' energy: -9.154 flat angles C4'-P-C4' energy: -9.222 flat angles P-C4'-P energy: -11.012 tors. eta vs tors. theta energy: -14.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -165.347942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.347942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.347942 (E_RNA) where: Base-Base interactions energy: -110.795 where: short stacking energy: -48.197 Base-Backbone interact. energy: -0.010 local terms energy: -54.543769 where: bonds (distance) C4'-P energy: -10.249 bonds (distance) P-C4' energy: -14.560 flat angles C4'-P-C4' energy: -10.354 flat angles P-C4'-P energy: -7.395 tors. eta vs tors. theta energy: -11.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -62.105207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.105207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.105207 (E_RNA) where: Base-Base interactions energy: -27.662 where: short stacking energy: -19.454 Base-Backbone interact. energy: -0.005 local terms energy: -34.438187 where: bonds (distance) C4'-P energy: -7.062 bonds (distance) P-C4' energy: -10.176 flat angles C4'-P-C4' energy: -10.630 flat angles P-C4'-P energy: -7.262 tors. eta vs tors. theta energy: 0.691 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: 8 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -71.924267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.924267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.924267 (E_RNA) where: Base-Base interactions energy: -32.417 where: short stacking energy: -27.002 Base-Backbone interact. energy: -0.129 local terms energy: -39.378716 where: bonds (distance) C4'-P energy: -8.929 bonds (distance) P-C4' energy: -9.650 flat angles C4'-P-C4' energy: -9.770 flat angles P-C4'-P energy: -3.008 tors. eta vs tors. theta energy: -8.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -205.671347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.671347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.671347 (E_RNA) where: Base-Base interactions energy: -141.228 where: short stacking energy: -59.270 Base-Backbone interact. energy: -0.002 local terms energy: -64.441234 where: bonds (distance) C4'-P energy: -14.439 bonds (distance) P-C4' energy: -12.014 flat angles C4'-P-C4' energy: -14.032 flat angles P-C4'-P energy: -6.862 tors. eta vs tors. theta energy: -17.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -198.433746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.433746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.433746 (E_RNA) where: Base-Base interactions energy: -134.204 where: short stacking energy: -57.271 Base-Backbone interact. energy: -0.145 local terms energy: -64.083849 where: bonds (distance) C4'-P energy: -10.336 bonds (distance) P-C4' energy: -14.420 flat angles C4'-P-C4' energy: -13.668 flat angles P-C4'-P energy: -10.525 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: 3, replica: 6 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -198.677639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.677639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.677639 (E_RNA) where: Base-Base interactions energy: -137.593 where: short stacking energy: -58.885 Base-Backbone interact. energy: -0.001 local terms energy: -61.083631 where: bonds (distance) C4'-P energy: -12.299 bonds (distance) P-C4' energy: -9.420 flat angles C4'-P-C4' energy: -13.928 flat angles P-C4'-P energy: -8.926 tors. eta vs tors. theta energy: -16.512 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: 10 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -193.909051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.909051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.909051 (E_RNA) where: Base-Base interactions energy: -138.831 where: short stacking energy: -55.769 Base-Backbone interact. energy: -0.135 local terms energy: -54.942975 where: bonds (distance) C4'-P energy: -11.826 bonds (distance) P-C4' energy: -11.957 flat angles C4'-P-C4' energy: -9.633 flat angles P-C4'-P energy: -5.472 tors. eta vs tors. theta energy: -16.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -182.919741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.919741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.919741 (E_RNA) where: Base-Base interactions energy: -128.770 where: short stacking energy: -46.874 Base-Backbone interact. energy: -0.001 local terms energy: -54.149059 where: bonds (distance) C4'-P energy: -13.372 bonds (distance) P-C4' energy: -11.221 flat angles C4'-P-C4' energy: -11.889 flat angles P-C4'-P energy: -2.435 tors. eta vs tors. theta energy: -15.233 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: 2 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -183.887029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.887029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.887029 (E_RNA) where: Base-Base interactions energy: -126.375 where: short stacking energy: -58.189 Base-Backbone interact. energy: 0.186 local terms energy: -57.697311 where: bonds (distance) C4'-P energy: -13.072 bonds (distance) P-C4' energy: -10.692 flat angles C4'-P-C4' energy: -12.065 flat angles P-C4'-P energy: -8.490 tors. eta vs tors. theta energy: -13.378 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: 1 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -183.303047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.303047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.303047 (E_RNA) where: Base-Base interactions energy: -129.858 where: short stacking energy: -52.299 Base-Backbone interact. energy: -0.092 local terms energy: -53.352229 where: bonds (distance) C4'-P energy: -11.827 bonds (distance) P-C4' energy: -11.531 flat angles C4'-P-C4' energy: -9.444 flat angles P-C4'-P energy: -4.712 tors. eta vs tors. theta energy: -15.838 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: 8, replica: 7 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -169.331543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.331543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.331543 (E_RNA) where: Base-Base interactions energy: -111.809 where: short stacking energy: -44.205 Base-Backbone interact. energy: -0.009 local terms energy: -57.513886 where: bonds (distance) C4'-P energy: -9.952 bonds (distance) P-C4' energy: -12.000 flat angles C4'-P-C4' energy: -13.376 flat angles P-C4'-P energy: -8.108 tors. eta vs tors. theta energy: -14.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -63.497220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.497220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.497220 (E_RNA) where: Base-Base interactions energy: -16.800 where: short stacking energy: -14.484 Base-Backbone interact. energy: -0.192 local terms energy: -46.505201 where: bonds (distance) C4'-P energy: -13.416 bonds (distance) P-C4' energy: -12.638 flat angles C4'-P-C4' energy: -13.412 flat angles P-C4'-P energy: -7.888 tors. eta vs tors. theta energy: 0.849 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: 10, replica: 8 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -59.987185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.987185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.987185 (E_RNA) where: Base-Base interactions energy: -29.297 where: short stacking energy: -19.646 Base-Backbone interact. energy: 0.696 local terms energy: -31.386030 where: bonds (distance) C4'-P energy: -11.210 bonds (distance) P-C4' energy: -12.978 flat angles C4'-P-C4' energy: -9.014 flat angles P-C4'-P energy: -1.171 tors. eta vs tors. theta energy: 2.987 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: 4 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -205.775406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.775406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.775406 (E_RNA) where: Base-Base interactions energy: -140.145 where: short stacking energy: -56.312 Base-Backbone interact. energy: -0.017 local terms energy: -65.614042 where: bonds (distance) C4'-P energy: -12.833 bonds (distance) P-C4' energy: -14.821 flat angles C4'-P-C4' energy: -13.596 flat angles P-C4'-P energy: -6.573 tors. eta vs tors. theta energy: -17.791 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: 2, replica: 9 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -205.849822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.849822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.849822 (E_RNA) where: Base-Base interactions energy: -145.376 where: short stacking energy: -62.675 Base-Backbone interact. energy: -0.863 local terms energy: -59.610272 where: bonds (distance) C4'-P energy: -9.074 bonds (distance) P-C4' energy: -13.246 flat angles C4'-P-C4' energy: -14.045 flat angles P-C4'-P energy: -8.707 tors. eta vs tors. theta energy: -14.538 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: 10 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -184.717113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.717113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.717113 (E_RNA) where: Base-Base interactions energy: -125.051 where: short stacking energy: -55.828 Base-Backbone interact. energy: -0.104 local terms energy: -59.562305 where: bonds (distance) C4'-P energy: -13.338 bonds (distance) P-C4' energy: -11.584 flat angles C4'-P-C4' energy: -13.376 flat angles P-C4'-P energy: -10.421 tors. eta vs tors. theta energy: -10.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -198.707069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.707069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.707069 (E_RNA) where: Base-Base interactions energy: -142.275 where: short stacking energy: -59.270 Base-Backbone interact. energy: -0.000 local terms energy: -56.431228 where: bonds (distance) C4'-P energy: -13.900 bonds (distance) P-C4' energy: -11.839 flat angles C4'-P-C4' energy: -10.413 flat angles P-C4'-P energy: -3.084 tors. eta vs tors. theta energy: -17.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -176.048189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.048189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.048189 (E_RNA) where: Base-Base interactions energy: -120.288 where: short stacking energy: -52.307 Base-Backbone interact. energy: -0.088 local terms energy: -55.672904 where: bonds (distance) C4'-P energy: -13.238 bonds (distance) P-C4' energy: -12.564 flat angles C4'-P-C4' energy: -10.673 flat angles P-C4'-P energy: -6.907 tors. eta vs tors. theta energy: -12.291 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: 5 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -177.014620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.014620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.014620 (E_RNA) where: Base-Base interactions energy: -125.614 where: short stacking energy: -50.064 Base-Backbone interact. energy: -0.045 local terms energy: -51.355426 where: bonds (distance) C4'-P energy: -12.120 bonds (distance) P-C4' energy: -9.171 flat angles C4'-P-C4' energy: -10.570 flat angles P-C4'-P energy: -7.843 tors. eta vs tors. theta energy: -11.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -183.654969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.654969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.654969 (E_RNA) where: Base-Base interactions energy: -125.682 where: short stacking energy: -46.605 Base-Backbone interact. energy: -0.099 local terms energy: -57.874672 where: bonds (distance) C4'-P energy: -12.969 bonds (distance) P-C4' energy: -10.298 flat angles C4'-P-C4' energy: -14.012 flat angles P-C4'-P energy: -5.919 tors. eta vs tors. theta energy: -14.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -174.722930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.722930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.722930 (E_RNA) where: Base-Base interactions energy: -119.555 where: short stacking energy: -44.579 Base-Backbone interact. energy: -0.019 local terms energy: -55.149233 where: bonds (distance) C4'-P energy: -12.373 bonds (distance) P-C4' energy: -9.573 flat angles C4'-P-C4' energy: -14.474 flat angles P-C4'-P energy: -4.566 tors. eta vs tors. theta energy: -14.164 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: 9, replica: 8 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -73.285227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.285227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.285227 (E_RNA) where: Base-Base interactions energy: -26.337 where: short stacking energy: -24.242 Base-Backbone interact. energy: -0.080 local terms energy: -46.868251 where: bonds (distance) C4'-P energy: -11.384 bonds (distance) P-C4' energy: -10.898 flat angles C4'-P-C4' energy: -11.093 flat angles P-C4'-P energy: -9.516 tors. eta vs tors. theta energy: -3.977 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: 3 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -70.961473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.961473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.961473 (E_RNA) where: Base-Base interactions energy: -34.715 where: short stacking energy: -29.741 Base-Backbone interact. energy: -0.225 local terms energy: -36.022069 where: bonds (distance) C4'-P energy: -10.504 bonds (distance) P-C4' energy: -5.343 flat angles C4'-P-C4' energy: -10.153 flat angles P-C4'-P energy: -4.560 tors. eta vs tors. theta energy: -5.461 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: 4 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -206.047863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.047863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.047863 (E_RNA) where: Base-Base interactions energy: -143.794 where: short stacking energy: -56.432 Base-Backbone interact. energy: -0.602 local terms energy: -61.651587 where: bonds (distance) C4'-P energy: -11.471 bonds (distance) P-C4' energy: -11.797 flat angles C4'-P-C4' energy: -14.613 flat angles P-C4'-P energy: -6.275 tors. eta vs tors. theta energy: -17.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -184.852439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.852439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.852439 (E_RNA) where: Base-Base interactions energy: -125.792 where: short stacking energy: -57.643 Base-Backbone interact. energy: -0.004 local terms energy: -59.056948 where: bonds (distance) C4'-P energy: -10.912 bonds (distance) P-C4' energy: -10.348 flat angles C4'-P-C4' energy: -9.979 flat angles P-C4'-P energy: -12.267 tors. eta vs tors. theta energy: -15.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -194.943768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.943768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.943768 (E_RNA) where: Base-Base interactions energy: -134.220 where: short stacking energy: -52.767 Base-Backbone interact. energy: -0.019 local terms energy: -60.704701 where: bonds (distance) C4'-P energy: -12.472 bonds (distance) P-C4' energy: -12.959 flat angles C4'-P-C4' energy: -11.551 flat angles P-C4'-P energy: -10.204 tors. eta vs tors. theta energy: -13.519 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: 6 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -194.910672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.910672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.910672 (E_RNA) where: Base-Base interactions energy: -136.952 where: short stacking energy: -57.851 Base-Backbone interact. energy: -0.007 local terms energy: -57.952085 where: bonds (distance) C4'-P energy: -12.291 bonds (distance) P-C4' energy: -10.153 flat angles C4'-P-C4' energy: -11.569 flat angles P-C4'-P energy: -8.488 tors. eta vs tors. theta energy: -15.451 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: 2 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -177.143977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.143977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.143977 (E_RNA) where: Base-Base interactions energy: -127.852 where: short stacking energy: -43.523 Base-Backbone interact. energy: -0.077 local terms energy: -49.215179 where: bonds (distance) C4'-P energy: -9.260 bonds (distance) P-C4' energy: -13.494 flat angles C4'-P-C4' energy: -11.192 flat angles P-C4'-P energy: -7.351 tors. eta vs tors. theta energy: -7.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -178.740053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.740053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.740053 (E_RNA) where: Base-Base interactions energy: -118.088 where: short stacking energy: -56.868 Base-Backbone interact. energy: -0.440 local terms energy: -60.212196 where: bonds (distance) C4'-P energy: -12.261 bonds (distance) P-C4' energy: -12.668 flat angles C4'-P-C4' energy: -10.564 flat angles P-C4'-P energy: -10.235 tors. eta vs tors. theta energy: -14.485 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: 7, replica: 5 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -188.918648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.918648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.918648 (E_RNA) where: Base-Base interactions energy: -132.629 where: short stacking energy: -52.519 Base-Backbone interact. energy: -0.424 local terms energy: -55.865663 where: bonds (distance) C4'-P energy: -9.724 bonds (distance) P-C4' energy: -9.695 flat angles C4'-P-C4' energy: -12.805 flat angles P-C4'-P energy: -10.737 tors. eta vs tors. theta energy: -12.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -179.257594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.257594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.257594 (E_RNA) where: Base-Base interactions energy: -121.606 where: short stacking energy: -46.900 Base-Backbone interact. energy: -0.003 local terms energy: -57.647915 where: bonds (distance) C4'-P energy: -9.934 bonds (distance) P-C4' energy: -11.861 flat angles C4'-P-C4' energy: -13.269 flat angles P-C4'-P energy: -8.384 tors. eta vs tors. theta energy: -14.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -65.137032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.137032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.137032 (E_RNA) where: Base-Base interactions energy: -27.182 where: short stacking energy: -17.088 Base-Backbone interact. energy: -0.191 local terms energy: -37.763461 where: bonds (distance) C4'-P energy: -10.522 bonds (distance) P-C4' energy: -14.311 flat angles C4'-P-C4' energy: -7.492 flat angles P-C4'-P energy: -5.091 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: 3 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -62.779662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.779662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.779662 (E_RNA) where: Base-Base interactions energy: -28.252 where: short stacking energy: -17.103 Base-Backbone interact. energy: -0.096 local terms energy: -34.432083 where: bonds (distance) C4'-P energy: -9.951 bonds (distance) P-C4' energy: -8.810 flat angles C4'-P-C4' energy: -11.510 flat angles P-C4'-P energy: -4.785 tors. eta vs tors. theta energy: 0.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -202.134298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.134298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.134298 (E_RNA) where: Base-Base interactions energy: -143.638 where: short stacking energy: -60.213 Base-Backbone interact. energy: -1.020 local terms energy: -57.476592 where: bonds (distance) C4'-P energy: -10.934 bonds (distance) P-C4' energy: -13.500 flat angles C4'-P-C4' energy: -10.770 flat angles P-C4'-P energy: -6.326 tors. eta vs tors. theta energy: -15.946 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: 2, replica: 4 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -204.584610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.584610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.584610 (E_RNA) where: Base-Base interactions energy: -142.412 where: short stacking energy: -60.722 Base-Backbone interact. energy: -0.000 local terms energy: -62.171855 where: bonds (distance) C4'-P energy: -13.312 bonds (distance) P-C4' energy: -11.011 flat angles C4'-P-C4' energy: -14.309 flat angles P-C4'-P energy: -8.012 tors. eta vs tors. theta energy: -15.528 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: 6 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -198.630473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.630473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.630473 (E_RNA) where: Base-Base interactions energy: -137.869 where: short stacking energy: -58.414 Base-Backbone interact. energy: -0.002 local terms energy: -60.760039 where: bonds (distance) C4'-P energy: -9.090 bonds (distance) P-C4' energy: -15.062 flat angles C4'-P-C4' energy: -13.647 flat angles P-C4'-P energy: -7.898 tors. eta vs tors. theta energy: -15.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -194.592152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.592152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.592152 (E_RNA) where: Base-Base interactions energy: -131.825 where: short stacking energy: -61.253 Base-Backbone interact. energy: -0.004 local terms energy: -62.762933 where: bonds (distance) C4'-P energy: -10.708 bonds (distance) P-C4' energy: -13.944 flat angles C4'-P-C4' energy: -12.874 flat angles P-C4'-P energy: -10.697 tors. eta vs tors. theta energy: -14.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -178.344896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.344896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.344896 (E_RNA) where: Base-Base interactions energy: -124.605 where: short stacking energy: -51.975 Base-Backbone interact. energy: -0.111 local terms energy: -53.628728 where: bonds (distance) C4'-P energy: -11.583 bonds (distance) P-C4' energy: -9.161 flat angles C4'-P-C4' energy: -8.994 flat angles P-C4'-P energy: -10.478 tors. eta vs tors. theta energy: -13.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -172.194733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.194733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.194733 (E_RNA) where: Base-Base interactions energy: -117.361 where: short stacking energy: -46.993 Base-Backbone interact. energy: -0.009 local terms energy: -54.825313 where: bonds (distance) C4'-P energy: -14.020 bonds (distance) P-C4' energy: -10.739 flat angles C4'-P-C4' energy: -13.774 flat angles P-C4'-P energy: -5.170 tors. eta vs tors. theta energy: -11.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -175.064840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.064840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.064840 (E_RNA) where: Base-Base interactions energy: -127.672 where: short stacking energy: -42.077 Base-Backbone interact. energy: -0.215 local terms energy: -47.177970 where: bonds (distance) C4'-P energy: -6.031 bonds (distance) P-C4' energy: -12.250 flat angles C4'-P-C4' energy: -11.494 flat angles P-C4'-P energy: -6.402 tors. eta vs tors. theta energy: -11.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -170.328443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.328443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.328443 (E_RNA) where: Base-Base interactions energy: -118.407 where: short stacking energy: -41.970 Base-Backbone interact. energy: -0.171 local terms energy: -51.750617 where: bonds (distance) C4'-P energy: -10.721 bonds (distance) P-C4' energy: -12.647 flat angles C4'-P-C4' energy: -12.556 flat angles P-C4'-P energy: -6.312 tors. eta vs tors. theta energy: -9.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -79.834902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.834902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.834902 (E_RNA) where: Base-Base interactions energy: -37.287 where: short stacking energy: -30.347 Base-Backbone interact. energy: -0.023 local terms energy: -42.524343 where: bonds (distance) C4'-P energy: -11.594 bonds (distance) P-C4' energy: -11.031 flat angles C4'-P-C4' energy: -9.002 flat angles P-C4'-P energy: -7.913 tors. eta vs tors. theta energy: -2.985 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: 8 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -69.540235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.540235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.540235 (E_RNA) where: Base-Base interactions energy: -21.293 where: short stacking energy: -19.826 Base-Backbone interact. energy: -0.157 local terms energy: -48.090368 where: bonds (distance) C4'-P energy: -6.917 bonds (distance) P-C4' energy: -14.058 flat angles C4'-P-C4' energy: -11.757 flat angles P-C4'-P energy: -9.083 tors. eta vs tors. theta energy: -6.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -204.768241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.768241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.768241 (E_RNA) where: Base-Base interactions energy: -139.331 where: short stacking energy: -59.623 Base-Backbone interact. energy: -0.167 local terms energy: -65.270747 where: bonds (distance) C4'-P energy: -14.381 bonds (distance) P-C4' energy: -12.242 flat angles C4'-P-C4' energy: -12.261 flat angles P-C4'-P energy: -9.596 tors. eta vs tors. theta energy: -16.791 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: 2, replica: 6 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -198.743389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.743389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.743389 (E_RNA) where: Base-Base interactions energy: -135.654 where: short stacking energy: -58.084 Base-Backbone interact. energy: -0.002 local terms energy: -63.087330 where: bonds (distance) C4'-P energy: -14.555 bonds (distance) P-C4' energy: -13.871 flat angles C4'-P-C4' energy: -11.482 flat angles P-C4'-P energy: -8.793 tors. eta vs tors. theta energy: -14.387 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: 4 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -198.176784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.176784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.176784 (E_RNA) where: Base-Base interactions energy: -130.855 where: short stacking energy: -51.154 Base-Backbone interact. energy: -0.130 local terms energy: -67.192191 where: bonds (distance) C4'-P energy: -14.386 bonds (distance) P-C4' energy: -12.458 flat angles C4'-P-C4' energy: -13.384 flat angles P-C4'-P energy: -10.831 tors. eta vs tors. theta energy: -16.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -192.165813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.165813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.165813 (E_RNA) where: Base-Base interactions energy: -128.366 where: short stacking energy: -48.730 Base-Backbone interact. energy: -0.113 local terms energy: -63.686845 where: bonds (distance) C4'-P energy: -12.874 bonds (distance) P-C4' energy: -12.659 flat angles C4'-P-C4' energy: -14.097 flat angles P-C4'-P energy: -11.426 tors. eta vs tors. theta energy: -12.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -188.551853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.551853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.551853 (E_RNA) where: Base-Base interactions energy: -134.998 where: short stacking energy: -61.428 Base-Backbone interact. energy: -0.055 local terms energy: -53.499191 where: bonds (distance) C4'-P energy: -11.331 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -12.676 flat angles P-C4'-P energy: -6.342 tors. eta vs tors. theta energy: -16.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -180.466846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.466846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.466846 (E_RNA) where: Base-Base interactions energy: -124.485 where: short stacking energy: -48.588 Base-Backbone interact. energy: -0.014 local terms energy: -55.968367 where: bonds (distance) C4'-P energy: -8.622 bonds (distance) P-C4' energy: -14.005 flat angles C4'-P-C4' energy: -12.501 flat angles P-C4'-P energy: -5.635 tors. eta vs tors. theta energy: -15.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -174.124580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.124580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.124580 (E_RNA) where: Base-Base interactions energy: -120.121 where: short stacking energy: -55.259 Base-Backbone interact. energy: -0.011 local terms energy: -53.993078 where: bonds (distance) C4'-P energy: -8.287 bonds (distance) P-C4' energy: -11.468 flat angles C4'-P-C4' energy: -10.866 flat angles P-C4'-P energy: -8.967 tors. eta vs tors. theta energy: -14.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -178.570093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.570093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.570093 (E_RNA) where: Base-Base interactions energy: -123.464 where: short stacking energy: -48.701 Base-Backbone interact. energy: -0.096 local terms energy: -55.010323 where: bonds (distance) C4'-P energy: -8.180 bonds (distance) P-C4' energy: -8.940 flat angles C4'-P-C4' energy: -13.647 flat angles P-C4'-P energy: -11.136 tors. eta vs tors. theta energy: -13.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -74.589378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.589378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.589378 (E_RNA) where: Base-Base interactions energy: -27.950 where: short stacking energy: -27.950 Base-Backbone interact. energy: -0.821 local terms energy: -45.818429 where: bonds (distance) C4'-P energy: -11.346 bonds (distance) P-C4' energy: -9.893 flat angles C4'-P-C4' energy: -11.637 flat angles P-C4'-P energy: -7.283 tors. eta vs tors. theta energy: -5.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -59.891487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.891487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.891487 (E_RNA) where: Base-Base interactions energy: -27.832 where: short stacking energy: -17.171 Base-Backbone interact. energy: -0.008 local terms energy: -32.051632 where: bonds (distance) C4'-P energy: -6.624 bonds (distance) P-C4' energy: -11.732 flat angles C4'-P-C4' energy: -7.574 flat angles P-C4'-P energy: -7.311 tors. eta vs tors. theta energy: 1.188 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: 6 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -204.561113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.561113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.561113 (E_RNA) where: Base-Base interactions energy: -140.915 where: short stacking energy: -62.471 Base-Backbone interact. energy: -0.237 local terms energy: -63.408661 where: bonds (distance) C4'-P energy: -11.896 bonds (distance) P-C4' energy: -13.541 flat angles C4'-P-C4' energy: -14.732 flat angles P-C4'-P energy: -9.294 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: 2, replica: 10 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -199.447922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.447922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.447922 (E_RNA) where: Base-Base interactions energy: -136.544 where: short stacking energy: -57.554 Base-Backbone interact. energy: -0.001 local terms energy: -62.903232 where: bonds (distance) C4'-P energy: -12.634 bonds (distance) P-C4' energy: -13.469 flat angles C4'-P-C4' energy: -12.427 flat angles P-C4'-P energy: -8.041 tors. eta vs tors. theta energy: -16.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -194.805197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.805197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.805197 (E_RNA) where: Base-Base interactions energy: -134.132 where: short stacking energy: -61.283 Base-Backbone interact. energy: -1.183 local terms energy: -59.489872 where: bonds (distance) C4'-P energy: -11.756 bonds (distance) P-C4' energy: -8.638 flat angles C4'-P-C4' energy: -12.574 flat angles P-C4'-P energy: -10.079 tors. eta vs tors. theta energy: -16.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -192.046531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.046531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.046531 (E_RNA) where: Base-Base interactions energy: -131.099 where: short stacking energy: -57.506 Base-Backbone interact. energy: -0.008 local terms energy: -60.939581 where: bonds (distance) C4'-P energy: -8.092 bonds (distance) P-C4' energy: -13.790 flat angles C4'-P-C4' energy: -14.701 flat angles P-C4'-P energy: -10.944 tors. eta vs tors. theta energy: -13.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -178.844844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.844844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.844844 (E_RNA) where: Base-Base interactions energy: -125.494 where: short stacking energy: -45.966 Base-Backbone interact. energy: -0.025 local terms energy: -53.325469 where: bonds (distance) C4'-P energy: -7.618 bonds (distance) P-C4' energy: -12.036 flat angles C4'-P-C4' energy: -13.226 flat angles P-C4'-P energy: -10.088 tors. eta vs tors. theta energy: -10.357 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: 6, replica: 5 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -171.221821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.221821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.221821 (E_RNA) where: Base-Base interactions energy: -112.067 where: short stacking energy: -51.890 Base-Backbone interact. energy: -0.122 local terms energy: -59.033074 where: bonds (distance) C4'-P energy: -11.363 bonds (distance) P-C4' energy: -10.576 flat angles C4'-P-C4' energy: -10.501 flat angles P-C4'-P energy: -12.667 tors. eta vs tors. theta energy: -13.926 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: 2 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -176.375980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.375980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.375980 (E_RNA) where: Base-Base interactions energy: -122.111 where: short stacking energy: -55.186 Base-Backbone interact. energy: -0.007 local terms energy: -54.257283 where: bonds (distance) C4'-P energy: -8.687 bonds (distance) P-C4' energy: -13.908 flat angles C4'-P-C4' energy: -11.409 flat angles P-C4'-P energy: -6.713 tors. eta vs tors. theta energy: -13.540 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: 8, replica: 7 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -175.886648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.886648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.886648 (E_RNA) where: Base-Base interactions energy: -126.047 where: short stacking energy: -50.763 Base-Backbone interact. energy: -0.422 local terms energy: -49.417203 where: bonds (distance) C4'-P energy: -10.349 bonds (distance) P-C4' energy: -12.767 flat angles C4'-P-C4' energy: -8.079 flat angles P-C4'-P energy: -5.537 tors. eta vs tors. theta energy: -12.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -70.594761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.594761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.594761 (E_RNA) where: Base-Base interactions energy: -32.838 where: short stacking energy: -25.788 Base-Backbone interact. energy: 2.635 local terms energy: -40.390862 where: bonds (distance) C4'-P energy: -7.422 bonds (distance) P-C4' energy: -14.485 flat angles C4'-P-C4' energy: -11.598 flat angles P-C4'-P energy: -4.199 tors. eta vs tors. theta energy: -2.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -65.552778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.552778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.552778 (E_RNA) where: Base-Base interactions energy: -30.642 where: short stacking energy: -23.093 Base-Backbone interact. energy: -0.599 local terms energy: -34.311958 where: bonds (distance) C4'-P energy: -12.481 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -8.461 flat angles P-C4'-P energy: -6.831 tors. eta vs tors. theta energy: 2.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -204.075879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.075879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.075879 (E_RNA) where: Base-Base interactions energy: -140.239 where: short stacking energy: -57.115 Base-Backbone interact. energy: -0.314 local terms energy: -63.522372 where: bonds (distance) C4'-P energy: -8.320 bonds (distance) P-C4' energy: -14.828 flat angles C4'-P-C4' energy: -15.448 flat angles P-C4'-P energy: -8.726 tors. eta vs tors. theta energy: -16.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -200.407006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.407006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.407006 (E_RNA) where: Base-Base interactions energy: -133.061 where: short stacking energy: -58.425 Base-Backbone interact. energy: -0.000 local terms energy: -67.345332 where: bonds (distance) C4'-P energy: -12.295 bonds (distance) P-C4' energy: -14.650 flat angles C4'-P-C4' energy: -12.949 flat angles P-C4'-P energy: -10.529 tors. eta vs tors. theta energy: -16.923 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: 4 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -188.611002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.611002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.611002 (E_RNA) where: Base-Base interactions energy: -130.025 where: short stacking energy: -52.061 Base-Backbone interact. energy: -0.022 local terms energy: -58.564243 where: bonds (distance) C4'-P energy: -14.162 bonds (distance) P-C4' energy: -12.715 flat angles C4'-P-C4' energy: -9.060 flat angles P-C4'-P energy: -7.857 tors. eta vs tors. theta energy: -14.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -190.322244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.322244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.322244 (E_RNA) where: Base-Base interactions energy: -136.413 where: short stacking energy: -60.491 Base-Backbone interact. energy: -0.291 local terms energy: -53.619015 where: bonds (distance) C4'-P energy: -9.119 bonds (distance) P-C4' energy: -9.334 flat angles C4'-P-C4' energy: -13.814 flat angles P-C4'-P energy: -5.373 tors. eta vs tors. theta energy: -15.978 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: 5, replica: 9 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -187.933989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.933989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.933989 (E_RNA) where: Base-Base interactions energy: -125.524 where: short stacking energy: -54.779 Base-Backbone interact. energy: -0.025 local terms energy: -62.385227 where: bonds (distance) C4'-P energy: -12.199 bonds (distance) P-C4' energy: -11.257 flat angles C4'-P-C4' energy: -13.990 flat angles P-C4'-P energy: -9.290 tors. eta vs tors. theta energy: -15.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -165.339943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.339943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.339943 (E_RNA) where: Base-Base interactions energy: -106.822 where: short stacking energy: -45.489 Base-Backbone interact. energy: -0.019 local terms energy: -58.498701 where: bonds (distance) C4'-P energy: -12.526 bonds (distance) P-C4' energy: -10.948 flat angles C4'-P-C4' energy: -13.508 flat angles P-C4'-P energy: -8.113 tors. eta vs tors. theta energy: -13.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -163.787910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.787910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.787910 (E_RNA) where: Base-Base interactions energy: -111.498 where: short stacking energy: -43.296 Base-Backbone interact. energy: -0.181 local terms energy: -52.108238 where: bonds (distance) C4'-P energy: -9.739 bonds (distance) P-C4' energy: -11.349 flat angles C4'-P-C4' energy: -10.017 flat angles P-C4'-P energy: -11.243 tors. eta vs tors. theta energy: -9.761 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: 7 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -166.923469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.923469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.923469 (E_RNA) where: Base-Base interactions energy: -112.420 where: short stacking energy: -47.222 Base-Backbone interact. energy: -0.026 local terms energy: -54.478017 where: bonds (distance) C4'-P energy: -12.096 bonds (distance) P-C4' energy: -10.972 flat angles C4'-P-C4' energy: -10.594 flat angles P-C4'-P energy: -9.395 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: 9, replica: 3 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -64.840582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.840582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.840582 (E_RNA) where: Base-Base interactions energy: -31.466 where: short stacking energy: -21.357 Base-Backbone interact. energy: -1.146 local terms energy: -32.228628 where: bonds (distance) C4'-P energy: -6.499 bonds (distance) P-C4' energy: -9.763 flat angles C4'-P-C4' energy: -9.360 flat angles P-C4'-P energy: -5.901 tors. eta vs tors. theta energy: -0.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -73.718691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.718691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.718691 (E_RNA) where: Base-Base interactions energy: -28.438 where: short stacking energy: -28.438 Base-Backbone interact. energy: -0.077 local terms energy: -45.203531 where: bonds (distance) C4'-P energy: -13.718 bonds (distance) P-C4' energy: -9.257 flat angles C4'-P-C4' energy: -12.926 flat angles P-C4'-P energy: -4.625 tors. eta vs tors. theta energy: -4.679 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: 6 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -205.058051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.058051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.058051 (E_RNA) where: Base-Base interactions energy: -137.817 where: short stacking energy: -57.464 Base-Backbone interact. energy: -0.254 local terms energy: -66.987036 where: bonds (distance) C4'-P energy: -13.395 bonds (distance) P-C4' energy: -14.266 flat angles C4'-P-C4' energy: -13.884 flat angles P-C4'-P energy: -11.104 tors. eta vs tors. theta energy: -14.338 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: 10 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -202.150368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.150368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.150368 (E_RNA) where: Base-Base interactions energy: -139.269 where: short stacking energy: -56.648 Base-Backbone interact. energy: -0.009 local terms energy: -62.872716 where: bonds (distance) C4'-P energy: -9.840 bonds (distance) P-C4' energy: -13.356 flat angles C4'-P-C4' energy: -12.300 flat angles P-C4'-P energy: -10.519 tors. eta vs tors. theta energy: -16.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -197.109529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.109529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.109529 (E_RNA) where: Base-Base interactions energy: -139.346 where: short stacking energy: -61.310 Base-Backbone interact. energy: -0.001 local terms energy: -57.762950 where: bonds (distance) C4'-P energy: -8.105 bonds (distance) P-C4' energy: -12.337 flat angles C4'-P-C4' energy: -14.691 flat angles P-C4'-P energy: -5.939 tors. eta vs tors. theta energy: -16.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -191.404287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.404287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.404287 (E_RNA) where: Base-Base interactions energy: -133.319 where: short stacking energy: -58.839 Base-Backbone interact. energy: -0.007 local terms energy: -58.077957 where: bonds (distance) C4'-P energy: -11.362 bonds (distance) P-C4' energy: -14.653 flat angles C4'-P-C4' energy: -10.921 flat angles P-C4'-P energy: -6.978 tors. eta vs tors. theta energy: -14.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -194.310495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.310495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.310495 (E_RNA) where: Base-Base interactions energy: -134.458 where: short stacking energy: -58.248 Base-Backbone interact. energy: -0.004 local terms energy: -59.847834 where: bonds (distance) C4'-P energy: -11.819 bonds (distance) P-C4' energy: -7.407 flat angles C4'-P-C4' energy: -14.734 flat angles P-C4'-P energy: -9.207 tors. eta vs tors. theta energy: -16.682 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: 232 Temperature: 1.150000 Total energy: -184.408755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.408755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.408755 (E_RNA) where: Base-Base interactions energy: -126.411 where: short stacking energy: -49.478 Base-Backbone interact. energy: -0.045 local terms energy: -57.952753 where: bonds (distance) C4'-P energy: -12.705 bonds (distance) P-C4' energy: -13.613 flat angles C4'-P-C4' energy: -13.301 flat angles P-C4'-P energy: -4.724 tors. eta vs tors. theta energy: -13.610 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: 7 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -179.065213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.065213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.065213 (E_RNA) where: Base-Base interactions energy: -126.463 where: short stacking energy: -50.799 Base-Backbone interact. energy: -0.029 local terms energy: -52.573533 where: bonds (distance) C4'-P energy: -7.488 bonds (distance) P-C4' energy: -11.361 flat angles C4'-P-C4' energy: -13.528 flat angles P-C4'-P energy: -6.429 tors. eta vs tors. theta energy: -13.768 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: 232 Temperature: 1.250000 Total energy: -169.543087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.543087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.543087 (E_RNA) where: Base-Base interactions energy: -115.266 where: short stacking energy: -48.153 Base-Backbone interact. energy: 0.939 local terms energy: -55.215785 where: bonds (distance) C4'-P energy: -10.494 bonds (distance) P-C4' energy: -9.341 flat angles C4'-P-C4' energy: -10.724 flat angles P-C4'-P energy: -8.450 tors. eta vs tors. theta energy: -16.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -69.028741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.028741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.028741 (E_RNA) where: Base-Base interactions energy: -24.761 where: short stacking energy: -21.797 Base-Backbone interact. energy: -0.052 local terms energy: -44.215876 where: bonds (distance) C4'-P energy: -13.312 bonds (distance) P-C4' energy: -12.602 flat angles C4'-P-C4' energy: -7.767 flat angles P-C4'-P energy: -5.161 tors. eta vs tors. theta energy: -5.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -69.307694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.307694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.307694 (E_RNA) where: Base-Base interactions energy: -29.371 where: short stacking energy: -26.197 Base-Backbone interact. energy: -0.045 local terms energy: -39.891729 where: bonds (distance) C4'-P energy: -6.167 bonds (distance) P-C4' energy: -10.765 flat angles C4'-P-C4' energy: -7.714 flat angles P-C4'-P energy: -6.812 tors. eta vs tors. theta energy: -8.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -207.260797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.260797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.260797 (E_RNA) where: Base-Base interactions energy: -141.034 where: short stacking energy: -60.175 Base-Backbone interact. energy: -0.096 local terms energy: -66.130048 where: bonds (distance) C4'-P energy: -13.611 bonds (distance) P-C4' energy: -13.512 flat angles C4'-P-C4' energy: -14.952 flat angles P-C4'-P energy: -8.057 tors. eta vs tors. theta energy: -15.999 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: 233 Temperature: 0.950000 Total energy: -200.776501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.776501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.776501 (E_RNA) where: Base-Base interactions energy: -137.402 where: short stacking energy: -56.956 Base-Backbone interact. energy: -0.012 local terms energy: -63.362656 where: bonds (distance) C4'-P energy: -13.665 bonds (distance) P-C4' energy: -13.665 flat angles C4'-P-C4' energy: -13.660 flat angles P-C4'-P energy: -8.849 tors. eta vs tors. theta energy: -13.524 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: 10 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -195.167686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.167686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.167686 (E_RNA) where: Base-Base interactions energy: -135.630 where: short stacking energy: -54.957 Base-Backbone interact. energy: -0.005 local terms energy: -59.532143 where: bonds (distance) C4'-P energy: -11.621 bonds (distance) P-C4' energy: -12.662 flat angles C4'-P-C4' energy: -10.290 flat angles P-C4'-P energy: -7.510 tors. eta vs tors. theta energy: -17.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -182.578865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.578865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.578865 (E_RNA) where: Base-Base interactions energy: -123.254 where: short stacking energy: -56.142 Base-Backbone interact. energy: -0.099 local terms energy: -59.225991 where: bonds (distance) C4'-P energy: -9.282 bonds (distance) P-C4' energy: -13.337 flat angles C4'-P-C4' energy: -14.804 flat angles P-C4'-P energy: -5.908 tors. eta vs tors. theta energy: -15.895 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: 4 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -193.187005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.187005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.187005 (E_RNA) where: Base-Base interactions energy: -133.809 where: short stacking energy: -55.408 Base-Backbone interact. energy: -0.002 local terms energy: -59.376011 where: bonds (distance) C4'-P energy: -10.557 bonds (distance) P-C4' energy: -13.220 flat angles C4'-P-C4' energy: -12.683 flat angles P-C4'-P energy: -8.481 tors. eta vs tors. theta energy: -14.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -175.148636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.148636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.148636 (E_RNA) where: Base-Base interactions energy: -121.647 where: short stacking energy: -42.034 Base-Backbone interact. energy: -0.112 local terms energy: -53.389489 where: bonds (distance) C4'-P energy: -11.189 bonds (distance) P-C4' energy: -13.278 flat angles C4'-P-C4' energy: -11.413 flat angles P-C4'-P energy: -8.873 tors. eta vs tors. theta energy: -8.636 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: 7 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -181.741393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.741393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.741393 (E_RNA) where: Base-Base interactions energy: -128.108 where: short stacking energy: -53.998 Base-Backbone interact. energy: -0.002 local terms energy: -53.631209 where: bonds (distance) C4'-P energy: -11.095 bonds (distance) P-C4' energy: -9.055 flat angles C4'-P-C4' energy: -12.030 flat angles P-C4'-P energy: -6.324 tors. eta vs tors. theta energy: -15.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -167.017663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.017663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.017663 (E_RNA) where: Base-Base interactions energy: -115.301 where: short stacking energy: -53.112 Base-Backbone interact. energy: -0.133 local terms energy: -51.584410 where: bonds (distance) C4'-P energy: -10.459 bonds (distance) P-C4' energy: -7.675 flat angles C4'-P-C4' energy: -11.695 flat angles P-C4'-P energy: -9.057 tors. eta vs tors. theta energy: -12.699 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: 8 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -67.890048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.890048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.890048 (E_RNA) where: Base-Base interactions energy: -28.450 where: short stacking energy: -28.450 Base-Backbone interact. energy: -0.117 local terms energy: -39.323332 where: bonds (distance) C4'-P energy: -5.647 bonds (distance) P-C4' energy: -10.622 flat angles C4'-P-C4' energy: -8.983 flat angles P-C4'-P energy: -10.258 tors. eta vs tors. theta energy: -3.813 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: 3 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -67.650882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.650882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.650882 (E_RNA) where: Base-Base interactions energy: -39.277 where: short stacking energy: -28.608 Base-Backbone interact. energy: -0.206 local terms energy: -28.168002 where: bonds (distance) C4'-P energy: -7.028 bonds (distance) P-C4' energy: -8.294 flat angles C4'-P-C4' energy: -4.535 flat angles P-C4'-P energy: -4.595 tors. eta vs tors. theta energy: -3.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -211.484590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.484590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.484590 (E_RNA) where: Base-Base interactions energy: -141.054 where: short stacking energy: -59.874 Base-Backbone interact. energy: -0.003 local terms energy: -70.427512 where: bonds (distance) C4'-P energy: -14.464 bonds (distance) P-C4' energy: -15.566 flat angles C4'-P-C4' energy: -13.572 flat angles P-C4'-P energy: -10.851 tors. eta vs tors. theta energy: -15.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -201.213713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.213713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.213713 (E_RNA) where: Base-Base interactions energy: -136.449 where: short stacking energy: -57.810 Base-Backbone interact. energy: -0.000 local terms energy: -64.764547 where: bonds (distance) C4'-P energy: -11.533 bonds (distance) P-C4' energy: -13.262 flat angles C4'-P-C4' energy: -14.313 flat angles P-C4'-P energy: -9.703 tors. eta vs tors. theta energy: -15.954 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: 3, replica: 5 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -193.566297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.566297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.566297 (E_RNA) where: Base-Base interactions energy: -130.758 where: short stacking energy: -53.336 Base-Backbone interact. energy: -0.001 local terms energy: -62.807099 where: bonds (distance) C4'-P energy: -9.140 bonds (distance) P-C4' energy: -12.187 flat angles C4'-P-C4' energy: -12.837 flat angles P-C4'-P energy: -11.127 tors. eta vs tors. theta energy: -17.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -194.408280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.408280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.408280 (E_RNA) where: Base-Base interactions energy: -133.072 where: short stacking energy: -52.879 Base-Backbone interact. energy: -0.006 local terms energy: -61.330605 where: bonds (distance) C4'-P energy: -12.315 bonds (distance) P-C4' energy: -12.162 flat angles C4'-P-C4' energy: -12.996 flat angles P-C4'-P energy: -7.149 tors. eta vs tors. theta energy: -16.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -181.125571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.125571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.125571 (E_RNA) where: Base-Base interactions energy: -124.497 where: short stacking energy: -47.122 Base-Backbone interact. energy: -0.002 local terms energy: -56.627500 where: bonds (distance) C4'-P energy: -12.385 bonds (distance) P-C4' energy: -10.648 flat angles C4'-P-C4' energy: -12.840 flat angles P-C4'-P energy: -9.912 tors. eta vs tors. theta energy: -10.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -172.101979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.101979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.101979 (E_RNA) where: Base-Base interactions energy: -113.507 where: short stacking energy: -45.461 Base-Backbone interact. energy: -0.004 local terms energy: -58.591441 where: bonds (distance) C4'-P energy: -11.169 bonds (distance) P-C4' energy: -14.635 flat angles C4'-P-C4' energy: -14.161 flat angles P-C4'-P energy: -8.635 tors. eta vs tors. theta energy: -9.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -180.623891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.623891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.623891 (E_RNA) where: Base-Base interactions energy: -122.561 where: short stacking energy: -58.604 Base-Backbone interact. energy: -0.003 local terms energy: -58.059865 where: bonds (distance) C4'-P energy: -11.358 bonds (distance) P-C4' energy: -9.416 flat angles C4'-P-C4' energy: -12.419 flat angles P-C4'-P energy: -7.692 tors. eta vs tors. theta energy: -17.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -178.223915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.223915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.223915 (E_RNA) where: Base-Base interactions energy: -121.814 where: short stacking energy: -54.384 Base-Backbone interact. energy: -0.009 local terms energy: -56.400687 where: bonds (distance) C4'-P energy: -8.212 bonds (distance) P-C4' energy: -8.259 flat angles C4'-P-C4' energy: -13.696 flat angles P-C4'-P energy: -8.967 tors. eta vs tors. theta energy: -17.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -74.472699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.472699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.472699 (E_RNA) where: Base-Base interactions energy: -34.336 where: short stacking energy: -21.432 Base-Backbone interact. energy: 0.015 local terms energy: -40.151463 where: bonds (distance) C4'-P energy: -11.869 bonds (distance) P-C4' energy: -12.460 flat angles C4'-P-C4' energy: -11.028 flat angles P-C4'-P energy: -5.709 tors. eta vs tors. theta energy: 0.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -71.593045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.593045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.593045 (E_RNA) where: Base-Base interactions energy: -31.332 where: short stacking energy: -30.607 Base-Backbone interact. energy: -0.109 local terms energy: -40.151250 where: bonds (distance) C4'-P energy: -7.517 bonds (distance) P-C4' energy: -7.615 flat angles C4'-P-C4' energy: -9.006 flat angles P-C4'-P energy: -5.192 tors. eta vs tors. theta energy: -10.821 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: 1 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -204.233776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.233776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.233776 (E_RNA) where: Base-Base interactions energy: -144.676 where: short stacking energy: -60.207 Base-Backbone interact. energy: -0.010 local terms energy: -59.547801 where: bonds (distance) C4'-P energy: -11.698 bonds (distance) P-C4' energy: -12.799 flat angles C4'-P-C4' energy: -12.082 flat angles P-C4'-P energy: -6.318 tors. eta vs tors. theta energy: -16.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -200.614707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.614707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.614707 (E_RNA) where: Base-Base interactions energy: -133.256 where: short stacking energy: -58.088 Base-Backbone interact. energy: -0.004 local terms energy: -67.354506 where: bonds (distance) C4'-P energy: -12.696 bonds (distance) P-C4' energy: -13.898 flat angles C4'-P-C4' energy: -13.031 flat angles P-C4'-P energy: -9.585 tors. eta vs tors. theta energy: -18.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -198.015157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.015157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.015157 (E_RNA) where: Base-Base interactions energy: -133.219 where: short stacking energy: -53.013 Base-Backbone interact. energy: -0.024 local terms energy: -64.772666 where: bonds (distance) C4'-P energy: -12.894 bonds (distance) P-C4' energy: -12.599 flat angles C4'-P-C4' energy: -13.427 flat angles P-C4'-P energy: -8.488 tors. eta vs tors. theta energy: -17.364 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: 4, replica: 4 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -188.889918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.889918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.889918 (E_RNA) where: Base-Base interactions energy: -135.386 where: short stacking energy: -58.363 Base-Backbone interact. energy: -0.001 local terms energy: -53.503642 where: bonds (distance) C4'-P energy: -8.586 bonds (distance) P-C4' energy: -6.335 flat angles C4'-P-C4' energy: -13.720 flat angles P-C4'-P energy: -7.425 tors. eta vs tors. theta energy: -17.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -187.300663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.300663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.300663 (E_RNA) where: Base-Base interactions energy: -124.810 where: short stacking energy: -52.898 Base-Backbone interact. energy: -0.044 local terms energy: -62.446729 where: bonds (distance) C4'-P energy: -12.945 bonds (distance) P-C4' energy: -13.991 flat angles C4'-P-C4' energy: -13.484 flat angles P-C4'-P energy: -5.617 tors. eta vs tors. theta energy: -16.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -182.020570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.020570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.020570 (E_RNA) where: Base-Base interactions energy: -122.235 where: short stacking energy: -52.104 Base-Backbone interact. energy: -0.091 local terms energy: -59.694863 where: bonds (distance) C4'-P energy: -13.995 bonds (distance) P-C4' energy: -10.835 flat angles C4'-P-C4' energy: -14.502 flat angles P-C4'-P energy: -7.154 tors. eta vs tors. theta energy: -13.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -174.113467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.113467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.113467 (E_RNA) where: Base-Base interactions energy: -122.677 where: short stacking energy: -50.116 Base-Backbone interact. energy: -0.090 local terms energy: -51.346480 where: bonds (distance) C4'-P energy: -11.603 bonds (distance) P-C4' energy: -9.820 flat angles C4'-P-C4' energy: -12.647 flat angles P-C4'-P energy: -3.239 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: 8, replica: 3 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -84.719489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.719489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.719489 (E_RNA) where: Base-Base interactions energy: -29.721 where: short stacking energy: -29.721 Base-Backbone interact. energy: -0.093 local terms energy: -54.905326 where: bonds (distance) C4'-P energy: -11.309 bonds (distance) P-C4' energy: -13.211 flat angles C4'-P-C4' energy: -11.250 flat angles P-C4'-P energy: -8.526 tors. eta vs tors. theta energy: -10.609 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: 9, replica: 7 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -168.733627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.733627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.733627 (E_RNA) where: Base-Base interactions energy: -111.051 where: short stacking energy: -48.183 Base-Backbone interact. energy: -0.052 local terms energy: -57.630556 where: bonds (distance) C4'-P energy: -10.034 bonds (distance) P-C4' energy: -11.708 flat angles C4'-P-C4' energy: -13.986 flat angles P-C4'-P energy: -9.900 tors. eta vs tors. theta energy: -12.002 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: 8 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -60.926231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.926231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.926231 (E_RNA) where: Base-Base interactions energy: -21.057 where: short stacking energy: -21.057 Base-Backbone interact. energy: 0.155 local terms energy: -40.024330 where: bonds (distance) C4'-P energy: -5.722 bonds (distance) P-C4' energy: -7.946 flat angles C4'-P-C4' energy: -14.083 flat angles P-C4'-P energy: -10.177 tors. eta vs tors. theta energy: -2.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -201.534702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.534702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.534702 (E_RNA) where: Base-Base interactions energy: -137.934 where: short stacking energy: -57.605 Base-Backbone interact. energy: -0.006 local terms energy: -63.594712 where: bonds (distance) C4'-P energy: -12.911 bonds (distance) P-C4' energy: -12.602 flat angles C4'-P-C4' energy: -11.994 flat angles P-C4'-P energy: -9.153 tors. eta vs tors. theta energy: -16.935 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: 1 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -197.776082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.776082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.776082 (E_RNA) where: Base-Base interactions energy: -135.589 where: short stacking energy: -59.683 Base-Backbone interact. energy: -0.028 local terms energy: -62.159269 where: bonds (distance) C4'-P energy: -11.756 bonds (distance) P-C4' energy: -13.195 flat angles C4'-P-C4' energy: -12.244 flat angles P-C4'-P energy: -10.914 tors. eta vs tors. theta energy: -14.051 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: 4 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -198.954875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.954875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.954875 (E_RNA) where: Base-Base interactions energy: -135.191 where: short stacking energy: -60.241 Base-Backbone interact. energy: -0.002 local terms energy: -63.762015 where: bonds (distance) C4'-P energy: -12.092 bonds (distance) P-C4' energy: -9.680 flat angles C4'-P-C4' energy: -15.349 flat angles P-C4'-P energy: -8.532 tors. eta vs tors. theta energy: -18.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -192.027033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.027033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.027033 (E_RNA) where: Base-Base interactions energy: -128.565 where: short stacking energy: -53.325 Base-Backbone interact. energy: -0.080 local terms energy: -63.381401 where: bonds (distance) C4'-P energy: -10.726 bonds (distance) P-C4' energy: -14.149 flat angles C4'-P-C4' energy: -12.455 flat angles P-C4'-P energy: -10.771 tors. eta vs tors. theta energy: -15.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -195.705591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.705591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.705591 (E_RNA) where: Base-Base interactions energy: -134.143 where: short stacking energy: -60.028 Base-Backbone interact. energy: -0.002 local terms energy: -61.560709 where: bonds (distance) C4'-P energy: -8.816 bonds (distance) P-C4' energy: -14.678 flat angles C4'-P-C4' energy: -13.776 flat angles P-C4'-P energy: -9.111 tors. eta vs tors. theta energy: -15.180 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: 10 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -166.862990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.862990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.862990 (E_RNA) where: Base-Base interactions energy: -116.480 where: short stacking energy: -52.087 Base-Backbone interact. energy: -0.106 local terms energy: -50.276743 where: bonds (distance) C4'-P energy: -10.921 bonds (distance) P-C4' energy: -10.182 flat angles C4'-P-C4' energy: -8.577 flat angles P-C4'-P energy: -6.656 tors. eta vs tors. theta energy: -13.942 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: 236 Temperature: 1.200000 Total energy: -178.956341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.956341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.956341 (E_RNA) where: Base-Base interactions energy: -124.169 where: short stacking energy: -52.734 Base-Backbone interact. energy: -0.025 local terms energy: -54.762216 where: bonds (distance) C4'-P energy: -11.118 bonds (distance) P-C4' energy: -12.621 flat angles C4'-P-C4' energy: -10.716 flat angles P-C4'-P energy: -5.921 tors. eta vs tors. theta energy: -14.387 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: 8, replica: 3 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -82.408899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.408899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.408899 (E_RNA) where: Base-Base interactions energy: -44.842 where: short stacking energy: -20.416 Base-Backbone interact. energy: -0.109 local terms energy: -37.458321 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -12.268 flat angles C4'-P-C4' energy: -9.992 flat angles P-C4'-P energy: -7.156 tors. eta vs tors. theta energy: 0.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -167.008788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.008788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.008788 (E_RNA) where: Base-Base interactions energy: -124.077 where: short stacking energy: -47.522 Base-Backbone interact. energy: -0.201 local terms energy: -42.731755 where: bonds (distance) C4'-P energy: -9.779 bonds (distance) P-C4' energy: -9.203 flat angles C4'-P-C4' energy: -7.353 flat angles P-C4'-P energy: -7.171 tors. eta vs tors. theta energy: -9.227 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: 10, replica: 8 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -61.780150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.780150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.780150 (E_RNA) where: Base-Base interactions energy: -22.171 where: short stacking energy: -21.579 Base-Backbone interact. energy: -0.029 local terms energy: -39.579697 where: bonds (distance) C4'-P energy: -11.053 bonds (distance) P-C4' energy: -9.989 flat angles C4'-P-C4' energy: -10.678 flat angles P-C4'-P energy: -1.687 tors. eta vs tors. theta energy: -6.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -201.009136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.009136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.009136 (E_RNA) where: Base-Base interactions energy: -135.497 where: short stacking energy: -58.477 Base-Backbone interact. energy: -0.016 local terms energy: -65.496622 where: bonds (distance) C4'-P energy: -13.176 bonds (distance) P-C4' energy: -12.500 flat angles C4'-P-C4' energy: -14.527 flat angles P-C4'-P energy: -8.437 tors. eta vs tors. theta energy: -16.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -201.733752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.733752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.733752 (E_RNA) where: Base-Base interactions energy: -138.172 where: short stacking energy: -57.981 Base-Backbone interact. energy: -0.143 local terms energy: -63.419122 where: bonds (distance) C4'-P energy: -10.237 bonds (distance) P-C4' energy: -10.739 flat angles C4'-P-C4' energy: -13.947 flat angles P-C4'-P energy: -10.929 tors. eta vs tors. theta energy: -17.567 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: 4 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -190.205552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.205552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.205552 (E_RNA) where: Base-Base interactions energy: -127.901 where: short stacking energy: -58.462 Base-Backbone interact. energy: -0.000 local terms energy: -62.304009 where: bonds (distance) C4'-P energy: -12.381 bonds (distance) P-C4' energy: -11.189 flat angles C4'-P-C4' energy: -14.537 flat angles P-C4'-P energy: -8.281 tors. eta vs tors. theta energy: -15.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -185.971246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.971246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.971246 (E_RNA) where: Base-Base interactions energy: -125.619 where: short stacking energy: -52.512 Base-Backbone interact. energy: -0.091 local terms energy: -60.260989 where: bonds (distance) C4'-P energy: -10.159 bonds (distance) P-C4' energy: -13.733 flat angles C4'-P-C4' energy: -11.843 flat angles P-C4'-P energy: -7.334 tors. eta vs tors. theta energy: -17.192 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: 2 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -194.554684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.554684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.554684 (E_RNA) where: Base-Base interactions energy: -131.293 where: short stacking energy: -53.985 Base-Backbone interact. energy: -0.037 local terms energy: -63.225122 where: bonds (distance) C4'-P energy: -11.677 bonds (distance) P-C4' energy: -14.085 flat angles C4'-P-C4' energy: -13.006 flat angles P-C4'-P energy: -9.277 tors. eta vs tors. theta energy: -15.180 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: 9 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -189.052112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.052112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.052112 (E_RNA) where: Base-Base interactions energy: -131.815 where: short stacking energy: -58.166 Base-Backbone interact. energy: -0.001 local terms energy: -57.235660 where: bonds (distance) C4'-P energy: -11.521 bonds (distance) P-C4' energy: -10.440 flat angles C4'-P-C4' energy: -11.310 flat angles P-C4'-P energy: -6.436 tors. eta vs tors. theta energy: -17.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -174.405651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.405651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.405651 (E_RNA) where: Base-Base interactions energy: -118.517 where: short stacking energy: -50.155 Base-Backbone interact. energy: -0.006 local terms energy: -55.882875 where: bonds (distance) C4'-P energy: -11.722 bonds (distance) P-C4' energy: -11.527 flat angles C4'-P-C4' energy: -11.286 flat angles P-C4'-P energy: -9.606 tors. eta vs tors. theta energy: -11.742 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: 7 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -171.086493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.086493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.086493 (E_RNA) where: Base-Base interactions energy: -114.441 where: short stacking energy: -50.463 Base-Backbone interact. energy: -0.048 local terms energy: -56.598165 where: bonds (distance) C4'-P energy: -11.134 bonds (distance) P-C4' energy: -12.049 flat angles C4'-P-C4' energy: -11.029 flat angles P-C4'-P energy: -7.221 tors. eta vs tors. theta energy: -15.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -74.895635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.895635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.895635 (E_RNA) where: Base-Base interactions energy: -34.885 where: short stacking energy: -34.885 Base-Backbone interact. energy: 0.261 local terms energy: -40.271584 where: bonds (distance) C4'-P energy: -10.924 bonds (distance) P-C4' energy: -11.583 flat angles C4'-P-C4' energy: -7.070 flat angles P-C4'-P energy: -7.465 tors. eta vs tors. theta energy: -3.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -65.233369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.233369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.233369 (E_RNA) where: Base-Base interactions energy: -20.505 where: short stacking energy: -20.505 Base-Backbone interact. energy: -0.157 local terms energy: -44.571037 where: bonds (distance) C4'-P energy: -10.018 bonds (distance) P-C4' energy: -13.405 flat angles C4'-P-C4' energy: -11.411 flat angles P-C4'-P energy: -9.821 tors. eta vs tors. theta energy: 0.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -202.464840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.464840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.464840 (E_RNA) where: Base-Base interactions energy: -145.610 where: short stacking energy: -62.002 Base-Backbone interact. energy: -0.001 local terms energy: -56.854124 where: bonds (distance) C4'-P energy: -10.224 bonds (distance) P-C4' energy: -10.868 flat angles C4'-P-C4' energy: -11.259 flat angles P-C4'-P energy: -7.083 tors. eta vs tors. theta energy: -17.419 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: 6 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -203.278992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.278992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.278992 (E_RNA) where: Base-Base interactions energy: -138.352 where: short stacking energy: -61.344 Base-Backbone interact. energy: -0.014 local terms energy: -64.912558 where: bonds (distance) C4'-P energy: -11.740 bonds (distance) P-C4' energy: -13.708 flat angles C4'-P-C4' energy: -13.632 flat angles P-C4'-P energy: -9.873 tors. eta vs tors. theta energy: -15.959 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: 5 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -190.850745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.850745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.850745 (E_RNA) where: Base-Base interactions energy: -125.677 where: short stacking energy: -49.481 Base-Backbone interact. energy: -0.076 local terms energy: -65.098297 where: bonds (distance) C4'-P energy: -13.513 bonds (distance) P-C4' energy: -12.240 flat angles C4'-P-C4' energy: -13.669 flat angles P-C4'-P energy: -9.827 tors. eta vs tors. theta energy: -15.850 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: 4, replica: 4 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -194.340337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.340337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.340337 (E_RNA) where: Base-Base interactions energy: -132.416 where: short stacking energy: -56.007 Base-Backbone interact. energy: -0.002 local terms energy: -61.922081 where: bonds (distance) C4'-P energy: -12.421 bonds (distance) P-C4' energy: -9.674 flat angles C4'-P-C4' energy: -14.172 flat angles P-C4'-P energy: -10.866 tors. eta vs tors. theta energy: -14.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -191.791416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.791416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.791416 (E_RNA) where: Base-Base interactions energy: -135.895 where: short stacking energy: -54.468 Base-Backbone interact. energy: -0.301 local terms energy: -55.595828 where: bonds (distance) C4'-P energy: -6.178 bonds (distance) P-C4' energy: -11.219 flat angles C4'-P-C4' energy: -14.265 flat angles P-C4'-P energy: -8.078 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: 6, replica: 9 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -180.968664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.968664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.968664 (E_RNA) where: Base-Base interactions energy: -123.207 where: short stacking energy: -50.360 Base-Backbone interact. energy: -0.010 local terms energy: -57.751561 where: bonds (distance) C4'-P energy: -9.215 bonds (distance) P-C4' energy: -13.287 flat angles C4'-P-C4' energy: -10.823 flat angles P-C4'-P energy: -9.684 tors. eta vs tors. theta energy: -14.742 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: 10 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -188.755478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.755478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.755478 (E_RNA) where: Base-Base interactions energy: -131.351 where: short stacking energy: -56.659 Base-Backbone interact. energy: 1.558 local terms energy: -58.962252 where: bonds (distance) C4'-P energy: -11.988 bonds (distance) P-C4' energy: -12.613 flat angles C4'-P-C4' energy: -12.528 flat angles P-C4'-P energy: -7.127 tors. eta vs tors. theta energy: -14.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -162.497727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.497727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.497727 (E_RNA) where: Base-Base interactions energy: -107.614 where: short stacking energy: -44.005 Base-Backbone interact. energy: -0.012 local terms energy: -54.871555 where: bonds (distance) C4'-P energy: -12.684 bonds (distance) P-C4' energy: -14.896 flat angles C4'-P-C4' energy: -11.813 flat angles P-C4'-P energy: -5.532 tors. eta vs tors. theta energy: -9.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -75.830344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.830344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.830344 (E_RNA) where: Base-Base interactions energy: -22.284 where: short stacking energy: -16.596 Base-Backbone interact. energy: -0.301 local terms energy: -53.245259 where: bonds (distance) C4'-P energy: -11.091 bonds (distance) P-C4' energy: -15.569 flat angles C4'-P-C4' energy: -14.704 flat angles P-C4'-P energy: -9.000 tors. eta vs tors. theta energy: -2.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -68.641624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.641624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.641624 (E_RNA) where: Base-Base interactions energy: -22.459 where: short stacking energy: -22.459 Base-Backbone interact. energy: -0.020 local terms energy: -46.163218 where: bonds (distance) C4'-P energy: -11.558 bonds (distance) P-C4' energy: -12.628 flat angles C4'-P-C4' energy: -8.784 flat angles P-C4'-P energy: -7.386 tors. eta vs tors. theta energy: -5.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -199.099315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.099315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.099315 (E_RNA) where: Base-Base interactions energy: -138.629 where: short stacking energy: -58.785 Base-Backbone interact. energy: 0.945 local terms energy: -61.414917 where: bonds (distance) C4'-P energy: -10.192 bonds (distance) P-C4' energy: -13.870 flat angles C4'-P-C4' energy: -12.177 flat angles P-C4'-P energy: -8.939 tors. eta vs tors. theta energy: -16.237 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: 2, replica: 5 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -202.652454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.652454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.652454 (E_RNA) where: Base-Base interactions energy: -137.878 where: short stacking energy: -60.899 Base-Backbone interact. energy: -0.008 local terms energy: -64.767295 where: bonds (distance) C4'-P energy: -12.002 bonds (distance) P-C4' energy: -14.162 flat angles C4'-P-C4' energy: -13.536 flat angles P-C4'-P energy: -9.856 tors. eta vs tors. theta energy: -15.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -193.905707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.905707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.905707 (E_RNA) where: Base-Base interactions energy: -135.716 where: short stacking energy: -55.078 Base-Backbone interact. energy: -0.012 local terms energy: -58.177397 where: bonds (distance) C4'-P energy: -10.286 bonds (distance) P-C4' energy: -12.045 flat angles C4'-P-C4' energy: -11.492 flat angles P-C4'-P energy: -9.344 tors. eta vs tors. theta energy: -15.010 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: 4, replica: 2 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -197.630801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.630801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.630801 (E_RNA) where: Base-Base interactions energy: -137.249 where: short stacking energy: -57.600 Base-Backbone interact. energy: -0.026 local terms energy: -60.356018 where: bonds (distance) C4'-P energy: -7.762 bonds (distance) P-C4' energy: -13.843 flat angles C4'-P-C4' energy: -12.681 flat angles P-C4'-P energy: -9.751 tors. eta vs tors. theta energy: -16.319 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: 4 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -191.328898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.328898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.328898 (E_RNA) where: Base-Base interactions energy: -133.699 where: short stacking energy: -62.617 Base-Backbone interact. energy: -0.008 local terms energy: -57.622563 where: bonds (distance) C4'-P energy: -6.905 bonds (distance) P-C4' energy: -11.399 flat angles C4'-P-C4' energy: -14.024 flat angles P-C4'-P energy: -9.481 tors. eta vs tors. theta energy: -15.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -178.996245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.996245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.996245 (E_RNA) where: Base-Base interactions energy: -131.664 where: short stacking energy: -49.271 Base-Backbone interact. energy: 0.714 local terms energy: -48.046377 where: bonds (distance) C4'-P energy: -12.982 bonds (distance) P-C4' energy: -10.640 flat angles C4'-P-C4' energy: -8.676 flat angles P-C4'-P energy: -5.948 tors. eta vs tors. theta energy: -9.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -184.157737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.157737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.157737 (E_RNA) where: Base-Base interactions energy: -127.315 where: short stacking energy: -48.516 Base-Backbone interact. energy: -0.445 local terms energy: -56.397841 where: bonds (distance) C4'-P energy: -10.718 bonds (distance) P-C4' energy: -13.681 flat angles C4'-P-C4' energy: -12.151 flat angles P-C4'-P energy: -5.863 tors. eta vs tors. theta energy: -13.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -144.552494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.552494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.552494 (E_RNA) where: Base-Base interactions energy: -95.457 where: short stacking energy: -39.297 Base-Backbone interact. energy: -0.113 local terms energy: -48.982773 where: bonds (distance) C4'-P energy: -12.803 bonds (distance) P-C4' energy: -9.490 flat angles C4'-P-C4' energy: -8.168 flat angles P-C4'-P energy: -9.203 tors. eta vs tors. theta energy: -9.319 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: 8 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -74.263706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.263706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.263706 (E_RNA) where: Base-Base interactions energy: -28.856 where: short stacking energy: -25.490 Base-Backbone interact. energy: -0.229 local terms energy: -45.177888 where: bonds (distance) C4'-P energy: -12.788 bonds (distance) P-C4' energy: -14.594 flat angles C4'-P-C4' energy: -12.206 flat angles P-C4'-P energy: -0.621 tors. eta vs tors. theta energy: -4.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -69.466434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.466434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.466434 (E_RNA) where: Base-Base interactions energy: -20.867 where: short stacking energy: -19.284 Base-Backbone interact. energy: -0.207 local terms energy: -48.392344 where: bonds (distance) C4'-P energy: -14.173 bonds (distance) P-C4' energy: -12.631 flat angles C4'-P-C4' energy: -11.181 flat angles P-C4'-P energy: -5.565 tors. eta vs tors. theta energy: -4.842 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: 5 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -203.616398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.616398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.616398 (E_RNA) where: Base-Base interactions energy: -137.547 where: short stacking energy: -57.226 Base-Backbone interact. energy: -0.002 local terms energy: -66.067785 where: bonds (distance) C4'-P energy: -12.779 bonds (distance) P-C4' energy: -13.180 flat angles C4'-P-C4' energy: -13.374 flat angles P-C4'-P energy: -8.880 tors. eta vs tors. theta energy: -17.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -200.211765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.211765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.211765 (E_RNA) where: Base-Base interactions energy: -134.065 where: short stacking energy: -54.492 Base-Backbone interact. energy: -0.001 local terms energy: -66.145558 where: bonds (distance) C4'-P energy: -12.485 bonds (distance) P-C4' energy: -13.656 flat angles C4'-P-C4' energy: -12.742 flat angles P-C4'-P energy: -9.130 tors. eta vs tors. theta energy: -18.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -199.691561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.691561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.691561 (E_RNA) where: Base-Base interactions energy: -141.371 where: short stacking energy: -59.408 Base-Backbone interact. energy: -0.098 local terms energy: -58.221960 where: bonds (distance) C4'-P energy: -14.090 bonds (distance) P-C4' energy: -10.645 flat angles C4'-P-C4' energy: -8.394 flat angles P-C4'-P energy: -7.173 tors. eta vs tors. theta energy: -17.920 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: 4, replica: 6 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -187.521219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.521219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.521219 (E_RNA) where: Base-Base interactions energy: -130.945 where: short stacking energy: -52.928 Base-Backbone interact. energy: -0.125 local terms energy: -56.451257 where: bonds (distance) C4'-P energy: -12.539 bonds (distance) P-C4' energy: -9.253 flat angles C4'-P-C4' energy: -12.296 flat angles P-C4'-P energy: -8.207 tors. eta vs tors. theta energy: -14.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -183.024282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.024282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.024282 (E_RNA) where: Base-Base interactions energy: -120.645 where: short stacking energy: -55.073 Base-Backbone interact. energy: -0.028 local terms energy: -62.352042 where: bonds (distance) C4'-P energy: -9.905 bonds (distance) P-C4' energy: -12.367 flat angles C4'-P-C4' energy: -13.229 flat angles P-C4'-P energy: -10.026 tors. eta vs tors. theta energy: -16.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -188.181354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.181354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.181354 (E_RNA) where: Base-Base interactions energy: -129.633 where: short stacking energy: -57.604 Base-Backbone interact. energy: -0.032 local terms energy: -58.516722 where: bonds (distance) C4'-P energy: -9.483 bonds (distance) P-C4' energy: -9.833 flat angles C4'-P-C4' energy: -15.262 flat angles P-C4'-P energy: -7.719 tors. eta vs tors. theta energy: -16.220 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: 7, replica: 7 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -154.494945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.494945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.494945 (E_RNA) where: Base-Base interactions energy: -111.248 where: short stacking energy: -41.243 Base-Backbone interact. energy: -0.169 local terms energy: -43.077158 where: bonds (distance) C4'-P energy: -8.861 bonds (distance) P-C4' energy: -10.598 flat angles C4'-P-C4' energy: -8.797 flat angles P-C4'-P energy: -5.714 tors. eta vs tors. theta energy: -9.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -171.857927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.857927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.857927 (E_RNA) where: Base-Base interactions energy: -119.937 where: short stacking energy: -49.695 Base-Backbone interact. energy: -0.992 local terms energy: -50.928291 where: bonds (distance) C4'-P energy: -12.360 bonds (distance) P-C4' energy: -12.527 flat angles C4'-P-C4' energy: -9.542 flat angles P-C4'-P energy: -6.627 tors. eta vs tors. theta energy: -9.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -62.987038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.987038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.987038 (E_RNA) where: Base-Base interactions energy: -25.040 where: short stacking energy: -23.907 Base-Backbone interact. energy: -0.093 local terms energy: -37.854561 where: bonds (distance) C4'-P energy: -10.441 bonds (distance) P-C4' energy: -9.079 flat angles C4'-P-C4' energy: -10.334 flat angles P-C4'-P energy: -7.310 tors. eta vs tors. theta energy: -0.691 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: 3 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -66.180847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.180847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.180847 (E_RNA) where: Base-Base interactions energy: -32.271 where: short stacking energy: -18.082 Base-Backbone interact. energy: 0.121 local terms energy: -34.030490 where: bonds (distance) C4'-P energy: -8.879 bonds (distance) P-C4' energy: -13.193 flat angles C4'-P-C4' energy: -7.318 flat angles P-C4'-P energy: -3.722 tors. eta vs tors. theta energy: -0.918 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: 1, replica: 5 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -204.004490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.004490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.004490 (E_RNA) where: Base-Base interactions energy: -138.543 where: short stacking energy: -58.292 Base-Backbone interact. energy: -0.001 local terms energy: -65.459647 where: bonds (distance) C4'-P energy: -15.105 bonds (distance) P-C4' energy: -11.520 flat angles C4'-P-C4' energy: -14.478 flat angles P-C4'-P energy: -8.215 tors. eta vs tors. theta energy: -16.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -202.481345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.481345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.481345 (E_RNA) where: Base-Base interactions energy: -139.563 where: short stacking energy: -60.177 Base-Backbone interact. energy: -0.043 local terms energy: -62.874930 where: bonds (distance) C4'-P energy: -9.458 bonds (distance) P-C4' energy: -13.297 flat angles C4'-P-C4' energy: -14.426 flat angles P-C4'-P energy: -8.447 tors. eta vs tors. theta energy: -17.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -205.244630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.244630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.244630 (E_RNA) where: Base-Base interactions energy: -136.540 where: short stacking energy: -58.162 Base-Backbone interact. energy: -0.002 local terms energy: -68.702093 where: bonds (distance) C4'-P energy: -13.888 bonds (distance) P-C4' energy: -13.805 flat angles C4'-P-C4' energy: -13.648 flat angles P-C4'-P energy: -10.290 tors. eta vs tors. theta energy: -17.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -195.734107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.734107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.734107 (E_RNA) where: Base-Base interactions energy: -137.651 where: short stacking energy: -58.200 Base-Backbone interact. energy: -0.106 local terms energy: -57.977304 where: bonds (distance) C4'-P energy: -9.930 bonds (distance) P-C4' energy: -14.395 flat angles C4'-P-C4' energy: -13.454 flat angles P-C4'-P energy: -4.457 tors. eta vs tors. theta energy: -15.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -185.920169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.920169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.920169 (E_RNA) where: Base-Base interactions energy: -132.163 where: short stacking energy: -58.845 Base-Backbone interact. energy: -0.027 local terms energy: -53.730374 where: bonds (distance) C4'-P energy: -9.758 bonds (distance) P-C4' energy: -9.525 flat angles C4'-P-C4' energy: -11.469 flat angles P-C4'-P energy: -6.782 tors. eta vs tors. theta energy: -16.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -174.191596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.191596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.191596 (E_RNA) where: Base-Base interactions energy: -120.665 where: short stacking energy: -54.979 Base-Backbone interact. energy: -0.238 local terms energy: -53.288046 where: bonds (distance) C4'-P energy: -7.857 bonds (distance) P-C4' energy: -9.307 flat angles C4'-P-C4' energy: -14.541 flat angles P-C4'-P energy: -6.480 tors. eta vs tors. theta energy: -15.103 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: 241 Temperature: 1.200000 Total energy: -172.434569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.434569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.434569 (E_RNA) where: Base-Base interactions energy: -119.653 where: short stacking energy: -49.039 Base-Backbone interact. energy: -0.391 local terms energy: -52.391017 where: bonds (distance) C4'-P energy: -10.051 bonds (distance) P-C4' energy: -14.159 flat angles C4'-P-C4' energy: -11.499 flat angles P-C4'-P energy: -6.453 tors. eta vs tors. theta energy: -10.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -189.587130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.587130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.587130 (E_RNA) where: Base-Base interactions energy: -128.852 where: short stacking energy: -56.918 Base-Backbone interact. energy: -0.002 local terms energy: -60.732613 where: bonds (distance) C4'-P energy: -10.460 bonds (distance) P-C4' energy: -11.184 flat angles C4'-P-C4' energy: -13.354 flat angles P-C4'-P energy: -8.227 tors. eta vs tors. theta energy: -17.507 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: 9, replica: 8 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -74.391386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.391386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.391386 (E_RNA) where: Base-Base interactions energy: -31.417 where: short stacking energy: -30.993 Base-Backbone interact. energy: 0.094 local terms energy: -43.068249 where: bonds (distance) C4'-P energy: -13.020 bonds (distance) P-C4' energy: -13.740 flat angles C4'-P-C4' energy: -6.466 flat angles P-C4'-P energy: -5.195 tors. eta vs tors. theta energy: -4.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -67.773404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.773404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.773404 (E_RNA) where: Base-Base interactions energy: -30.724 where: short stacking energy: -14.965 Base-Backbone interact. energy: -1.624 local terms energy: -35.426049 where: bonds (distance) C4'-P energy: -9.776 bonds (distance) P-C4' energy: -12.839 flat angles C4'-P-C4' energy: -8.793 flat angles P-C4'-P energy: -2.554 tors. eta vs tors. theta energy: -1.464 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: 2 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -207.865576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.865576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.865576 (E_RNA) where: Base-Base interactions energy: -145.800 where: short stacking energy: -63.199 Base-Backbone interact. energy: -0.001 local terms energy: -62.065397 where: bonds (distance) C4'-P energy: -8.126 bonds (distance) P-C4' energy: -13.399 flat angles C4'-P-C4' energy: -13.085 flat angles P-C4'-P energy: -9.446 tors. eta vs tors. theta energy: -18.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -199.448775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.448775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.448775 (E_RNA) where: Base-Base interactions energy: -132.922 where: short stacking energy: -54.023 Base-Backbone interact. energy: -0.175 local terms energy: -66.351334 where: bonds (distance) C4'-P energy: -11.917 bonds (distance) P-C4' energy: -15.579 flat angles C4'-P-C4' energy: -15.200 flat angles P-C4'-P energy: -8.750 tors. eta vs tors. theta energy: -14.905 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: 10 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -196.898176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.898176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.898176 (E_RNA) where: Base-Base interactions energy: -132.612 where: short stacking energy: -57.454 Base-Backbone interact. energy: -0.001 local terms energy: -64.285537 where: bonds (distance) C4'-P energy: -12.907 bonds (distance) P-C4' energy: -13.325 flat angles C4'-P-C4' energy: -14.077 flat angles P-C4'-P energy: -8.050 tors. eta vs tors. theta energy: -15.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -193.673421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.673421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.673421 (E_RNA) where: Base-Base interactions energy: -136.141 where: short stacking energy: -56.672 Base-Backbone interact. energy: -0.009 local terms energy: -57.523317 where: bonds (distance) C4'-P energy: -8.829 bonds (distance) P-C4' energy: -13.504 flat angles C4'-P-C4' energy: -11.930 flat angles P-C4'-P energy: -10.018 tors. eta vs tors. theta energy: -13.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -190.447939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.447939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.447939 (E_RNA) where: Base-Base interactions energy: -134.435 where: short stacking energy: -53.855 Base-Backbone interact. energy: -0.748 local terms energy: -55.265032 where: bonds (distance) C4'-P energy: -10.216 bonds (distance) P-C4' energy: -11.896 flat angles C4'-P-C4' energy: -12.097 flat angles P-C4'-P energy: -6.789 tors. eta vs tors. theta energy: -14.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -179.094673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.094673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.094673 (E_RNA) where: Base-Base interactions energy: -132.585 where: short stacking energy: -44.953 Base-Backbone interact. energy: -0.000 local terms energy: -46.508904 where: bonds (distance) C4'-P energy: -7.914 bonds (distance) P-C4' energy: -14.849 flat angles C4'-P-C4' energy: -9.425 flat angles P-C4'-P energy: -4.520 tors. eta vs tors. theta energy: -9.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -168.928293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.928293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.928293 (E_RNA) where: Base-Base interactions energy: -115.910 where: short stacking energy: -45.848 Base-Backbone interact. energy: -0.197 local terms energy: -52.820777 where: bonds (distance) C4'-P energy: -11.745 bonds (distance) P-C4' energy: -12.719 flat angles C4'-P-C4' energy: -9.324 flat angles P-C4'-P energy: -7.689 tors. eta vs tors. theta energy: -11.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -172.045357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.045357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.045357 (E_RNA) where: Base-Base interactions energy: -119.753 where: short stacking energy: -48.187 Base-Backbone interact. energy: 0.283 local terms energy: -52.574748 where: bonds (distance) C4'-P energy: -7.654 bonds (distance) P-C4' energy: -10.796 flat angles C4'-P-C4' energy: -10.281 flat angles P-C4'-P energy: -10.643 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: 9, replica: 3 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -65.567862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.567862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.567862 (E_RNA) where: Base-Base interactions energy: -11.495 where: short stacking energy: -11.495 Base-Backbone interact. energy: -0.263 local terms energy: -53.809825 where: bonds (distance) C4'-P energy: -14.679 bonds (distance) P-C4' energy: -11.771 flat angles C4'-P-C4' energy: -13.615 flat angles P-C4'-P energy: -11.051 tors. eta vs tors. theta energy: -2.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -63.074058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.074058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.074058 (E_RNA) where: Base-Base interactions energy: -23.147 where: short stacking energy: -23.147 Base-Backbone interact. energy: -0.037 local terms energy: -39.889429 where: bonds (distance) C4'-P energy: -11.827 bonds (distance) P-C4' energy: -9.179 flat angles C4'-P-C4' energy: -8.237 flat angles P-C4'-P energy: -7.588 tors. eta vs tors. theta energy: -3.058 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: 1, replica: 2 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -202.262029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.262029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.262029 (E_RNA) where: Base-Base interactions energy: -139.679 where: short stacking energy: -58.872 Base-Backbone interact. energy: -0.003 local terms energy: -62.580223 where: bonds (distance) C4'-P energy: -12.767 bonds (distance) P-C4' energy: -11.372 flat angles C4'-P-C4' energy: -12.890 flat angles P-C4'-P energy: -9.827 tors. eta vs tors. theta energy: -15.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -199.181729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.181729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.181729 (E_RNA) where: Base-Base interactions energy: -141.335 where: short stacking energy: -60.667 Base-Backbone interact. energy: -0.000 local terms energy: -57.846210 where: bonds (distance) C4'-P energy: -11.136 bonds (distance) P-C4' energy: -10.306 flat angles C4'-P-C4' energy: -13.148 flat angles P-C4'-P energy: -7.785 tors. eta vs tors. theta energy: -15.471 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: 10 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -199.156128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.156128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.156128 (E_RNA) where: Base-Base interactions energy: -136.161 where: short stacking energy: -57.741 Base-Backbone interact. energy: -0.003 local terms energy: -62.991973 where: bonds (distance) C4'-P energy: -8.640 bonds (distance) P-C4' energy: -9.868 flat angles C4'-P-C4' energy: -14.260 flat angles P-C4'-P energy: -11.770 tors. eta vs tors. theta energy: -18.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -177.830826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.830826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.830826 (E_RNA) where: Base-Base interactions energy: -124.377 where: short stacking energy: -49.705 Base-Backbone interact. energy: -0.012 local terms energy: -53.441871 where: bonds (distance) C4'-P energy: -8.564 bonds (distance) P-C4' energy: -11.352 flat angles C4'-P-C4' energy: -13.119 flat angles P-C4'-P energy: -7.375 tors. eta vs tors. theta energy: -13.032 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: 243 Temperature: 1.100000 Total energy: -186.988587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.988587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.988587 (E_RNA) where: Base-Base interactions energy: -123.299 where: short stacking energy: -51.665 Base-Backbone interact. energy: -0.046 local terms energy: -63.643231 where: bonds (distance) C4'-P energy: -13.114 bonds (distance) P-C4' energy: -12.377 flat angles C4'-P-C4' energy: -13.314 flat angles P-C4'-P energy: -8.960 tors. eta vs tors. theta energy: -15.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -185.081019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.081019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.081019 (E_RNA) where: Base-Base interactions energy: -126.056 where: short stacking energy: -50.599 Base-Backbone interact. energy: -0.024 local terms energy: -59.001057 where: bonds (distance) C4'-P energy: -9.575 bonds (distance) P-C4' energy: -13.959 flat angles C4'-P-C4' energy: -11.766 flat angles P-C4'-P energy: -9.997 tors. eta vs tors. theta energy: -13.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -170.457312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.457312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.457312 (E_RNA) where: Base-Base interactions energy: -122.654 where: short stacking energy: -48.202 Base-Backbone interact. energy: -0.108 local terms energy: -47.695149 where: bonds (distance) C4'-P energy: -9.050 bonds (distance) P-C4' energy: -11.670 flat angles C4'-P-C4' energy: -9.014 flat angles P-C4'-P energy: -4.702 tors. eta vs tors. theta energy: -13.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -66.748481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.748481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.748481 (E_RNA) where: Base-Base interactions energy: -22.117 where: short stacking energy: -12.703 Base-Backbone interact. energy: -0.325 local terms energy: -44.306692 where: bonds (distance) C4'-P energy: -8.776 bonds (distance) P-C4' energy: -11.799 flat angles C4'-P-C4' energy: -10.974 flat angles P-C4'-P energy: -10.085 tors. eta vs tors. theta energy: -2.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -169.985858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.985858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.985858 (E_RNA) where: Base-Base interactions energy: -116.542 where: short stacking energy: -57.479 Base-Backbone interact. energy: -0.013 local terms energy: -53.430773 where: bonds (distance) C4'-P energy: -6.104 bonds (distance) P-C4' energy: -13.891 flat angles C4'-P-C4' energy: -12.409 flat angles P-C4'-P energy: -5.982 tors. eta vs tors. theta energy: -15.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -66.877362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.877362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.877362 (E_RNA) where: Base-Base interactions energy: -29.965 where: short stacking energy: -27.117 Base-Backbone interact. energy: 0.565 local terms energy: -37.476478 where: bonds (distance) C4'-P energy: -4.685 bonds (distance) P-C4' energy: -13.680 flat angles C4'-P-C4' energy: -8.585 flat angles P-C4'-P energy: -7.552 tors. eta vs tors. theta energy: -2.974 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: 5 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -201.400485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.400485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.400485 (E_RNA) where: Base-Base interactions energy: -147.725 where: short stacking energy: -61.254 Base-Backbone interact. energy: 0.288 local terms energy: -53.963631 where: bonds (distance) C4'-P energy: -11.012 bonds (distance) P-C4' energy: -9.299 flat angles C4'-P-C4' energy: -11.498 flat angles P-C4'-P energy: -6.304 tors. eta vs tors. theta energy: -15.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -205.193088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.193088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.193088 (E_RNA) where: Base-Base interactions energy: -141.680 where: short stacking energy: -60.878 Base-Backbone interact. energy: -0.003 local terms energy: -63.510013 where: bonds (distance) C4'-P energy: -9.467 bonds (distance) P-C4' energy: -14.523 flat angles C4'-P-C4' energy: -12.221 flat angles P-C4'-P energy: -9.191 tors. eta vs tors. theta energy: -18.109 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: 3, replica: 6 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -192.454199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.454199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.454199 (E_RNA) where: Base-Base interactions energy: -127.351 where: short stacking energy: -54.291 Base-Backbone interact. energy: -0.056 local terms energy: -65.046506 where: bonds (distance) C4'-P energy: -13.129 bonds (distance) P-C4' energy: -13.992 flat angles C4'-P-C4' energy: -13.111 flat angles P-C4'-P energy: -8.353 tors. eta vs tors. theta energy: -16.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -195.684072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.684072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.684072 (E_RNA) where: Base-Base interactions energy: -138.656 where: short stacking energy: -58.454 Base-Backbone interact. energy: -0.012 local terms energy: -57.015181 where: bonds (distance) C4'-P energy: -10.203 bonds (distance) P-C4' energy: -6.663 flat angles C4'-P-C4' energy: -12.933 flat angles P-C4'-P energy: -10.394 tors. eta vs tors. theta energy: -16.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -188.693662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.693662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.693662 (E_RNA) where: Base-Base interactions energy: -129.453 where: short stacking energy: -51.224 Base-Backbone interact. energy: -0.010 local terms energy: -59.229928 where: bonds (distance) C4'-P energy: -8.498 bonds (distance) P-C4' energy: -11.131 flat angles C4'-P-C4' energy: -14.201 flat angles P-C4'-P energy: -10.689 tors. eta vs tors. theta energy: -14.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -178.875118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.875118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.875118 (E_RNA) where: Base-Base interactions energy: -130.913 where: short stacking energy: -48.120 Base-Backbone interact. energy: -0.028 local terms energy: -47.934139 where: bonds (distance) C4'-P energy: -11.392 bonds (distance) P-C4' energy: -6.228 flat angles C4'-P-C4' energy: -11.338 flat angles P-C4'-P energy: -4.736 tors. eta vs tors. theta energy: -14.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -176.556486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.556486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.556486 (E_RNA) where: Base-Base interactions energy: -129.581 where: short stacking energy: -43.078 Base-Backbone interact. energy: -0.175 local terms energy: -46.799890 where: bonds (distance) C4'-P energy: -8.887 bonds (distance) P-C4' energy: -10.383 flat angles C4'-P-C4' energy: -12.172 flat angles P-C4'-P energy: -9.207 tors. eta vs tors. theta energy: -6.151 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: 3 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -69.419676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.419676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.419676 (E_RNA) where: Base-Base interactions energy: -21.256 where: short stacking energy: -21.256 Base-Backbone interact. energy: -0.238 local terms energy: -47.925644 where: bonds (distance) C4'-P energy: -14.555 bonds (distance) P-C4' energy: -12.518 flat angles C4'-P-C4' energy: -12.269 flat angles P-C4'-P energy: -7.659 tors. eta vs tors. theta energy: -0.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -168.506799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.506799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.506799 (E_RNA) where: Base-Base interactions energy: -121.701 where: short stacking energy: -47.788 Base-Backbone interact. energy: -0.384 local terms energy: -46.422187 where: bonds (distance) C4'-P energy: -10.217 bonds (distance) P-C4' energy: -3.941 flat angles C4'-P-C4' energy: -10.298 flat angles P-C4'-P energy: -7.083 tors. eta vs tors. theta energy: -14.882 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: 8 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -72.920314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.920314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.920314 (E_RNA) where: Base-Base interactions energy: -27.269 where: short stacking energy: -27.269 Base-Backbone interact. energy: 0.316 local terms energy: -45.967263 where: bonds (distance) C4'-P energy: -8.979 bonds (distance) P-C4' energy: -11.672 flat angles C4'-P-C4' energy: -9.148 flat angles P-C4'-P energy: -11.258 tors. eta vs tors. theta energy: -4.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -203.150198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.150198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.150198 (E_RNA) where: Base-Base interactions energy: -141.004 where: short stacking energy: -56.527 Base-Backbone interact. energy: -0.095 local terms energy: -62.051004 where: bonds (distance) C4'-P energy: -11.193 bonds (distance) P-C4' energy: -12.867 flat angles C4'-P-C4' energy: -15.440 flat angles P-C4'-P energy: -6.500 tors. eta vs tors. theta energy: -16.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -201.564647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.564647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.564647 (E_RNA) where: Base-Base interactions energy: -138.517 where: short stacking energy: -60.251 Base-Backbone interact. energy: -0.794 local terms energy: -62.254023 where: bonds (distance) C4'-P energy: -13.834 bonds (distance) P-C4' energy: -10.956 flat angles C4'-P-C4' energy: -13.575 flat angles P-C4'-P energy: -9.339 tors. eta vs tors. theta energy: -14.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -185.957441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.957441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.957441 (E_RNA) where: Base-Base interactions energy: -125.505 where: short stacking energy: -50.974 Base-Backbone interact. energy: -0.001 local terms energy: -60.450554 where: bonds (distance) C4'-P energy: -14.733 bonds (distance) P-C4' energy: -14.417 flat angles C4'-P-C4' energy: -9.427 flat angles P-C4'-P energy: -6.302 tors. eta vs tors. theta energy: -15.573 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: 4, replica: 1 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -189.642336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.642336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.642336 (E_RNA) where: Base-Base interactions energy: -125.402 where: short stacking energy: -49.828 Base-Backbone interact. energy: -1.152 local terms energy: -63.088075 where: bonds (distance) C4'-P energy: -11.413 bonds (distance) P-C4' energy: -13.877 flat angles C4'-P-C4' energy: -12.816 flat angles P-C4'-P energy: -9.703 tors. eta vs tors. theta energy: -15.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -188.508221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.508221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.508221 (E_RNA) where: Base-Base interactions energy: -131.069 where: short stacking energy: -52.359 Base-Backbone interact. energy: -0.011 local terms energy: -57.428016 where: bonds (distance) C4'-P energy: -14.029 bonds (distance) P-C4' energy: -9.968 flat angles C4'-P-C4' energy: -10.092 flat angles P-C4'-P energy: -9.174 tors. eta vs tors. theta energy: -14.164 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: 4 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -193.611345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.611345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.611345 (E_RNA) where: Base-Base interactions energy: -129.049 where: short stacking energy: -51.214 Base-Backbone interact. energy: -0.005 local terms energy: -64.557548 where: bonds (distance) C4'-P energy: -13.346 bonds (distance) P-C4' energy: -11.868 flat angles C4'-P-C4' energy: -13.623 flat angles P-C4'-P energy: -9.414 tors. eta vs tors. theta energy: -16.307 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: 9 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -173.348004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.348004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.348004 (E_RNA) where: Base-Base interactions energy: -113.205 where: short stacking energy: -44.746 Base-Backbone interact. energy: 0.198 local terms energy: -60.341030 where: bonds (distance) C4'-P energy: -10.833 bonds (distance) P-C4' energy: -13.715 flat angles C4'-P-C4' energy: -14.353 flat angles P-C4'-P energy: -9.957 tors. eta vs tors. theta energy: -11.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -169.546915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.546915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.546915 (E_RNA) where: Base-Base interactions energy: -116.248 where: short stacking energy: -43.875 Base-Backbone interact. energy: -0.003 local terms energy: -53.296008 where: bonds (distance) C4'-P energy: -12.626 bonds (distance) P-C4' energy: -12.595 flat angles C4'-P-C4' energy: -9.471 flat angles P-C4'-P energy: -8.761 tors. eta vs tors. theta energy: -9.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -69.771130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.771130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.771130 (E_RNA) where: Base-Base interactions energy: -33.812 where: short stacking energy: -31.431 Base-Backbone interact. energy: -0.143 local terms energy: -35.816292 where: bonds (distance) C4'-P energy: -12.721 bonds (distance) P-C4' energy: -9.977 flat angles C4'-P-C4' energy: -6.872 flat angles P-C4'-P energy: -5.797 tors. eta vs tors. theta energy: -0.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -69.704307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.704307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.704307 (E_RNA) where: Base-Base interactions energy: -25.113 where: short stacking energy: -25.113 Base-Backbone interact. energy: -0.098 local terms energy: -44.493011 where: bonds (distance) C4'-P energy: -13.676 bonds (distance) P-C4' energy: -11.731 flat angles C4'-P-C4' energy: -5.863 flat angles P-C4'-P energy: -7.530 tors. eta vs tors. theta energy: -5.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -190.335420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.335420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.335420 (E_RNA) where: Base-Base interactions energy: -126.608 where: short stacking energy: -48.870 Base-Backbone interact. energy: -0.089 local terms energy: -63.638076 where: bonds (distance) C4'-P energy: -10.424 bonds (distance) P-C4' energy: -12.831 flat angles C4'-P-C4' energy: -13.010 flat angles P-C4'-P energy: -10.435 tors. eta vs tors. theta energy: -16.939 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: 246 Temperature: 0.950000 Total energy: -198.984487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.984487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.984487 (E_RNA) where: Base-Base interactions energy: -135.753 where: short stacking energy: -58.861 Base-Backbone interact. energy: -0.002 local terms energy: -63.228591 where: bonds (distance) C4'-P energy: -11.851 bonds (distance) P-C4' energy: -12.159 flat angles C4'-P-C4' energy: -11.101 flat angles P-C4'-P energy: -10.517 tors. eta vs tors. theta energy: -17.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -192.552166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.552166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.552166 (E_RNA) where: Base-Base interactions energy: -128.766 where: short stacking energy: -57.472 Base-Backbone interact. energy: -0.344 local terms energy: -63.441647 where: bonds (distance) C4'-P energy: -12.038 bonds (distance) P-C4' energy: -14.794 flat angles C4'-P-C4' energy: -12.103 flat angles P-C4'-P energy: -9.750 tors. eta vs tors. theta energy: -14.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -194.939514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.939514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.939514 (E_RNA) where: Base-Base interactions energy: -135.372 where: short stacking energy: -57.580 Base-Backbone interact. energy: -0.002 local terms energy: -59.565451 where: bonds (distance) C4'-P energy: -13.011 bonds (distance) P-C4' energy: -12.303 flat angles C4'-P-C4' energy: -13.394 flat angles P-C4'-P energy: -6.030 tors. eta vs tors. theta energy: -14.827 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: 10 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -186.665454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.665454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.665454 (E_RNA) where: Base-Base interactions energy: -134.004 where: short stacking energy: -50.893 Base-Backbone interact. energy: -0.030 local terms energy: -52.631163 where: bonds (distance) C4'-P energy: -9.574 bonds (distance) P-C4' energy: -11.440 flat angles C4'-P-C4' energy: -12.115 flat angles P-C4'-P energy: -4.761 tors. eta vs tors. theta energy: -14.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -186.440868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.440868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.440868 (E_RNA) where: Base-Base interactions energy: -126.250 where: short stacking energy: -55.599 Base-Backbone interact. energy: -0.000 local terms energy: -60.190959 where: bonds (distance) C4'-P energy: -8.962 bonds (distance) P-C4' energy: -11.788 flat angles C4'-P-C4' energy: -13.574 flat angles P-C4'-P energy: -7.147 tors. eta vs tors. theta energy: -18.719 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: 7 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -176.478326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.478326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.478326 (E_RNA) where: Base-Base interactions energy: -127.315 where: short stacking energy: -54.668 Base-Backbone interact. energy: -0.011 local terms energy: -49.152859 where: bonds (distance) C4'-P energy: -11.397 bonds (distance) P-C4' energy: -9.914 flat angles C4'-P-C4' energy: -9.355 flat angles P-C4'-P energy: -8.001 tors. eta vs tors. theta energy: -10.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -179.570132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.570132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.570132 (E_RNA) where: Base-Base interactions energy: -118.413 where: short stacking energy: -49.218 Base-Backbone interact. energy: -0.001 local terms energy: -61.156282 where: bonds (distance) C4'-P energy: -12.854 bonds (distance) P-C4' energy: -11.552 flat angles C4'-P-C4' energy: -12.936 flat angles P-C4'-P energy: -10.182 tors. eta vs tors. theta energy: -13.632 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: 8 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -70.361184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.361184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.361184 (E_RNA) where: Base-Base interactions energy: -21.799 where: short stacking energy: -21.799 Base-Backbone interact. energy: -0.003 local terms energy: -48.559711 where: bonds (distance) C4'-P energy: -11.256 bonds (distance) P-C4' energy: -13.768 flat angles C4'-P-C4' energy: -13.172 flat angles P-C4'-P energy: -4.980 tors. eta vs tors. theta energy: -5.383 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: 3 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -69.489055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.489055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.489055 (E_RNA) where: Base-Base interactions energy: -23.654 where: short stacking energy: -22.600 Base-Backbone interact. energy: -0.016 local terms energy: -45.818506 where: bonds (distance) C4'-P energy: -12.589 bonds (distance) P-C4' energy: -11.647 flat angles C4'-P-C4' energy: -10.395 flat angles P-C4'-P energy: -6.383 tors. eta vs tors. theta energy: -4.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -192.736545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.736545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.736545 (E_RNA) where: Base-Base interactions energy: -134.183 where: short stacking energy: -53.730 Base-Backbone interact. energy: -0.074 local terms energy: -58.479890 where: bonds (distance) C4'-P energy: -13.921 bonds (distance) P-C4' energy: -13.751 flat angles C4'-P-C4' energy: -12.039 flat angles P-C4'-P energy: -8.555 tors. eta vs tors. theta energy: -10.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -199.244020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.244020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.244020 (E_RNA) where: Base-Base interactions energy: -140.787 where: short stacking energy: -59.178 Base-Backbone interact. energy: -0.135 local terms energy: -58.321789 where: bonds (distance) C4'-P energy: -11.870 bonds (distance) P-C4' energy: -11.284 flat angles C4'-P-C4' energy: -13.256 flat angles P-C4'-P energy: -6.669 tors. eta vs tors. theta energy: -15.243 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: 1 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -188.629810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.629810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.629810 (E_RNA) where: Base-Base interactions energy: -130.562 where: short stacking energy: -50.762 Base-Backbone interact. energy: -0.001 local terms energy: -58.066672 where: bonds (distance) C4'-P energy: -10.894 bonds (distance) P-C4' energy: -11.514 flat angles C4'-P-C4' energy: -13.912 flat angles P-C4'-P energy: -5.764 tors. eta vs tors. theta energy: -15.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -187.551187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.551187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.551187 (E_RNA) where: Base-Base interactions energy: -131.964 where: short stacking energy: -56.875 Base-Backbone interact. energy: -0.042 local terms energy: -55.545619 where: bonds (distance) C4'-P energy: -10.648 bonds (distance) P-C4' energy: -9.072 flat angles C4'-P-C4' energy: -12.614 flat angles P-C4'-P energy: -9.431 tors. eta vs tors. theta energy: -13.780 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: 5, replica: 6 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -180.796968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.796968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.796968 (E_RNA) where: Base-Base interactions energy: -125.447 where: short stacking energy: -58.474 Base-Backbone interact. energy: -0.032 local terms energy: -55.318365 where: bonds (distance) C4'-P energy: -11.110 bonds (distance) P-C4' energy: -11.603 flat angles C4'-P-C4' energy: -9.746 flat angles P-C4'-P energy: -7.239 tors. eta vs tors. theta energy: -15.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -180.809912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.809912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.809912 (E_RNA) where: Base-Base interactions energy: -125.071 where: short stacking energy: -47.447 Base-Backbone interact. energy: -0.132 local terms energy: -55.606316 where: bonds (distance) C4'-P energy: -14.306 bonds (distance) P-C4' energy: -13.472 flat angles C4'-P-C4' energy: -9.156 flat angles P-C4'-P energy: -7.510 tors. eta vs tors. theta energy: -11.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -184.143140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.143140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.143140 (E_RNA) where: Base-Base interactions energy: -125.231 where: short stacking energy: -53.725 Base-Backbone interact. energy: -0.034 local terms energy: -58.877484 where: bonds (distance) C4'-P energy: -11.234 bonds (distance) P-C4' energy: -11.775 flat angles C4'-P-C4' energy: -13.149 flat angles P-C4'-P energy: -8.706 tors. eta vs tors. theta energy: -14.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -179.997058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.997058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.997058 (E_RNA) where: Base-Base interactions energy: -124.557 where: short stacking energy: -49.639 Base-Backbone interact. energy: -0.012 local terms energy: -55.428499 where: bonds (distance) C4'-P energy: -10.233 bonds (distance) P-C4' energy: -13.106 flat angles C4'-P-C4' energy: -10.775 flat angles P-C4'-P energy: -7.159 tors. eta vs tors. theta energy: -14.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -69.706582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.706582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.706582 (E_RNA) where: Base-Base interactions energy: -22.037 where: short stacking energy: -20.884 Base-Backbone interact. energy: -0.040 local terms energy: -47.629244 where: bonds (distance) C4'-P energy: -12.174 bonds (distance) P-C4' energy: -12.504 flat angles C4'-P-C4' energy: -13.448 flat angles P-C4'-P energy: -6.970 tors. eta vs tors. theta energy: -2.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -67.276697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.276697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.276697 (E_RNA) where: Base-Base interactions energy: -25.675 where: short stacking energy: -24.425 Base-Backbone interact. energy: -0.150 local terms energy: -41.451794 where: bonds (distance) C4'-P energy: -7.708 bonds (distance) P-C4' energy: -10.439 flat angles C4'-P-C4' energy: -11.596 flat angles P-C4'-P energy: -8.571 tors. eta vs tors. theta energy: -3.139 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: 248 Temperature: 0.900000 Total energy: -202.900963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.900963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.900963 (E_RNA) where: Base-Base interactions energy: -142.809 where: short stacking energy: -60.819 Base-Backbone interact. energy: -0.006 local terms energy: -60.086868 where: bonds (distance) C4'-P energy: -12.290 bonds (distance) P-C4' energy: -12.461 flat angles C4'-P-C4' energy: -11.031 flat angles P-C4'-P energy: -9.606 tors. eta vs tors. theta energy: -14.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -198.649311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.649311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.649311 (E_RNA) where: Base-Base interactions energy: -143.392 where: short stacking energy: -50.169 Base-Backbone interact. energy: -0.019 local terms energy: -55.238259 where: bonds (distance) C4'-P energy: -12.147 bonds (distance) P-C4' energy: -13.560 flat angles C4'-P-C4' energy: -12.809 flat angles P-C4'-P energy: -7.931 tors. eta vs tors. theta energy: -8.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -203.848279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.848279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.848279 (E_RNA) where: Base-Base interactions energy: -138.958 where: short stacking energy: -58.147 Base-Backbone interact. energy: -0.000 local terms energy: -64.890046 where: bonds (distance) C4'-P energy: -10.365 bonds (distance) P-C4' energy: -12.874 flat angles C4'-P-C4' energy: -14.268 flat angles P-C4'-P energy: -8.826 tors. eta vs tors. theta energy: -18.558 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: 10 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -197.342968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.342968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.342968 (E_RNA) where: Base-Base interactions energy: -135.260 where: short stacking energy: -59.974 Base-Backbone interact. energy: 0.091 local terms energy: -62.173638 where: bonds (distance) C4'-P energy: -9.645 bonds (distance) P-C4' energy: -14.832 flat angles C4'-P-C4' energy: -13.660 flat angles P-C4'-P energy: -7.088 tors. eta vs tors. theta energy: -16.949 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: 7 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -190.897084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.897084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.897084 (E_RNA) where: Base-Base interactions energy: -130.919 where: short stacking energy: -52.219 Base-Backbone interact. energy: -0.098 local terms energy: -59.879737 where: bonds (distance) C4'-P energy: -13.168 bonds (distance) P-C4' energy: -12.165 flat angles C4'-P-C4' energy: -12.307 flat angles P-C4'-P energy: -8.113 tors. eta vs tors. theta energy: -14.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -179.944876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.944876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.944876 (E_RNA) where: Base-Base interactions energy: -123.782 where: short stacking energy: -54.320 Base-Backbone interact. energy: -0.026 local terms energy: -56.136333 where: bonds (distance) C4'-P energy: -11.914 bonds (distance) P-C4' energy: -7.570 flat angles C4'-P-C4' energy: -12.490 flat angles P-C4'-P energy: -9.211 tors. eta vs tors. theta energy: -14.951 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: 7, replica: 9 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -174.188127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.188127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.188127 (E_RNA) where: Base-Base interactions energy: -111.473 where: short stacking energy: -45.198 Base-Backbone interact. energy: -0.555 local terms energy: -62.159978 where: bonds (distance) C4'-P energy: -11.463 bonds (distance) P-C4' energy: -13.634 flat angles C4'-P-C4' energy: -13.514 flat angles P-C4'-P energy: -10.838 tors. eta vs tors. theta energy: -12.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -177.771084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.771084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.771084 (E_RNA) where: Base-Base interactions energy: -126.891 where: short stacking energy: -51.920 Base-Backbone interact. energy: -0.045 local terms energy: -50.835156 where: bonds (distance) C4'-P energy: -8.701 bonds (distance) P-C4' energy: -10.417 flat angles C4'-P-C4' energy: -11.947 flat angles P-C4'-P energy: -6.151 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: 9, replica: 3 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -72.177623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.177623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.177623 (E_RNA) where: Base-Base interactions energy: -32.699 where: short stacking energy: -14.259 Base-Backbone interact. energy: -0.195 local terms energy: -39.284013 where: bonds (distance) C4'-P energy: -14.422 bonds (distance) P-C4' energy: -11.216 flat angles C4'-P-C4' energy: -12.719 flat angles P-C4'-P energy: -2.350 tors. eta vs tors. theta energy: 1.421 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: 10, replica: 8 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -71.818943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.818943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.818943 (E_RNA) where: Base-Base interactions energy: -33.015 where: short stacking energy: -31.437 Base-Backbone interact. energy: -0.110 local terms energy: -38.693884 where: bonds (distance) C4'-P energy: -0.447 bonds (distance) P-C4' energy: -12.159 flat angles C4'-P-C4' energy: -12.050 flat angles P-C4'-P energy: -8.485 tors. eta vs tors. theta energy: -5.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -201.445463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.445463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.445463 (E_RNA) where: Base-Base interactions energy: -135.598 where: short stacking energy: -57.258 Base-Backbone interact. energy: -0.124 local terms energy: -65.724047 where: bonds (distance) C4'-P energy: -12.059 bonds (distance) P-C4' energy: -15.308 flat angles C4'-P-C4' energy: -13.340 flat angles P-C4'-P energy: -7.498 tors. eta vs tors. theta energy: -17.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -200.138865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.138865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.138865 (E_RNA) where: Base-Base interactions energy: -140.402 where: short stacking energy: -58.884 Base-Backbone interact. energy: -0.249 local terms energy: -59.487903 where: bonds (distance) C4'-P energy: -10.639 bonds (distance) P-C4' energy: -11.352 flat angles C4'-P-C4' energy: -11.872 flat angles P-C4'-P energy: -8.477 tors. eta vs tors. theta energy: -17.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -192.706417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.706417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.706417 (E_RNA) where: Base-Base interactions energy: -130.140 where: short stacking energy: -55.545 Base-Backbone interact. energy: -0.012 local terms energy: -62.553716 where: bonds (distance) C4'-P energy: -11.288 bonds (distance) P-C4' energy: -13.307 flat angles C4'-P-C4' energy: -13.794 flat angles P-C4'-P energy: -9.731 tors. eta vs tors. theta energy: -14.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -197.290740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.290740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.290740 (E_RNA) where: Base-Base interactions energy: -138.073 where: short stacking energy: -58.016 Base-Backbone interact. energy: 0.092 local terms energy: -59.309165 where: bonds (distance) C4'-P energy: -10.273 bonds (distance) P-C4' energy: -13.575 flat angles C4'-P-C4' energy: -12.868 flat angles P-C4'-P energy: -8.364 tors. eta vs tors. theta energy: -14.229 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: 5, replica: 7 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -198.270417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.270417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.270417 (E_RNA) where: Base-Base interactions energy: -136.191 where: short stacking energy: -57.755 Base-Backbone interact. energy: -0.003 local terms energy: -62.076344 where: bonds (distance) C4'-P energy: -12.655 bonds (distance) P-C4' energy: -13.232 flat angles C4'-P-C4' energy: -12.004 flat angles P-C4'-P energy: -7.388 tors. eta vs tors. theta energy: -16.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -187.160459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.160459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.160459 (E_RNA) where: Base-Base interactions energy: -134.092 where: short stacking energy: -58.506 Base-Backbone interact. energy: -0.006 local terms energy: -53.062650 where: bonds (distance) C4'-P energy: -12.954 bonds (distance) P-C4' energy: -6.822 flat angles C4'-P-C4' energy: -11.639 flat angles P-C4'-P energy: -6.175 tors. eta vs tors. theta energy: -15.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -162.723201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.723201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.723201 (E_RNA) where: Base-Base interactions energy: -113.286 where: short stacking energy: -44.354 Base-Backbone interact. energy: -0.184 local terms energy: -49.252421 where: bonds (distance) C4'-P energy: -9.163 bonds (distance) P-C4' energy: -13.966 flat angles C4'-P-C4' energy: -9.421 flat angles P-C4'-P energy: -3.297 tors. eta vs tors. theta energy: -13.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -169.089263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.089263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.089263 (E_RNA) where: Base-Base interactions energy: -116.828 where: short stacking energy: -43.473 Base-Backbone interact. energy: -0.148 local terms energy: -52.113368 where: bonds (distance) C4'-P energy: -5.703 bonds (distance) P-C4' energy: -14.159 flat angles C4'-P-C4' energy: -12.131 flat angles P-C4'-P energy: -7.971 tors. eta vs tors. theta energy: -12.149 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: 3 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -69.537467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.537467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.537467 (E_RNA) where: Base-Base interactions energy: -25.354 where: short stacking energy: -25.194 Base-Backbone interact. energy: -0.182 local terms energy: -44.001325 where: bonds (distance) C4'-P energy: -13.266 bonds (distance) P-C4' energy: -12.591 flat angles C4'-P-C4' energy: -11.288 flat angles P-C4'-P energy: -7.514 tors. eta vs tors. theta energy: 0.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -67.046966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.046966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.046966 (E_RNA) where: Base-Base interactions energy: -28.225 where: short stacking energy: -14.054 Base-Backbone interact. energy: -0.043 local terms energy: -38.779222 where: bonds (distance) C4'-P energy: -10.929 bonds (distance) P-C4' energy: -13.509 flat angles C4'-P-C4' energy: -8.382 flat angles P-C4'-P energy: -4.343 tors. eta vs tors. theta energy: -1.616 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: 1 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -205.445380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.445380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.445380 (E_RNA) where: Base-Base interactions energy: -146.374 where: short stacking energy: -59.524 Base-Backbone interact. energy: -0.001 local terms energy: -59.070804 where: bonds (distance) C4'-P energy: -13.424 bonds (distance) P-C4' energy: -12.304 flat angles C4'-P-C4' energy: -11.456 flat angles P-C4'-P energy: -5.740 tors. eta vs tors. theta energy: -16.146 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: 5 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -203.178700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.178700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.178700 (E_RNA) where: Base-Base interactions energy: -140.312 where: short stacking energy: -60.240 Base-Backbone interact. energy: -0.003 local terms energy: -62.864122 where: bonds (distance) C4'-P energy: -11.689 bonds (distance) P-C4' energy: -14.457 flat angles C4'-P-C4' energy: -12.693 flat angles P-C4'-P energy: -8.076 tors. eta vs tors. theta energy: -15.950 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: 3, replica: 10 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -196.571166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.571166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.571166 (E_RNA) where: Base-Base interactions energy: -134.488 where: short stacking energy: -56.168 Base-Backbone interact. energy: -0.001 local terms energy: -62.082703 where: bonds (distance) C4'-P energy: -11.364 bonds (distance) P-C4' energy: -13.479 flat angles C4'-P-C4' energy: -12.563 flat angles P-C4'-P energy: -10.254 tors. eta vs tors. theta energy: -14.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -182.261672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.261672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.261672 (E_RNA) where: Base-Base interactions energy: -123.674 where: short stacking energy: -55.813 Base-Backbone interact. energy: -0.001 local terms energy: -58.586972 where: bonds (distance) C4'-P energy: -12.762 bonds (distance) P-C4' energy: -12.218 flat angles C4'-P-C4' energy: -10.586 flat angles P-C4'-P energy: -8.353 tors. eta vs tors. theta energy: -14.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -182.283227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.283227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.283227 (E_RNA) where: Base-Base interactions energy: -135.349 where: short stacking energy: -56.739 Base-Backbone interact. energy: -0.028 local terms energy: -46.906087 where: bonds (distance) C4'-P energy: -4.507 bonds (distance) P-C4' energy: -11.389 flat angles C4'-P-C4' energy: -10.190 flat angles P-C4'-P energy: -8.068 tors. eta vs tors. theta energy: -12.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -176.106945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.106945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.106945 (E_RNA) where: Base-Base interactions energy: -117.370 where: short stacking energy: -52.021 Base-Backbone interact. energy: -0.120 local terms energy: -58.616549 where: bonds (distance) C4'-P energy: -12.787 bonds (distance) P-C4' energy: -13.349 flat angles C4'-P-C4' energy: -12.396 flat angles P-C4'-P energy: -7.430 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: 7, replica: 9 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -185.236562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.236562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.236562 (E_RNA) where: Base-Base interactions energy: -120.590 where: short stacking energy: -51.133 Base-Backbone interact. energy: -0.099 local terms energy: -64.547959 where: bonds (distance) C4'-P energy: -13.259 bonds (distance) P-C4' energy: -12.441 flat angles C4'-P-C4' energy: -14.052 flat angles P-C4'-P energy: -8.658 tors. eta vs tors. theta energy: -16.138 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: 8, replica: 4 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -159.069571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.069571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.069571 (E_RNA) where: Base-Base interactions energy: -111.946 where: short stacking energy: -42.020 Base-Backbone interact. energy: -0.198 local terms energy: -46.925606 where: bonds (distance) C4'-P energy: -6.220 bonds (distance) P-C4' energy: -11.911 flat angles C4'-P-C4' energy: -10.821 flat angles P-C4'-P energy: -5.515 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: 9, replica: 8 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -80.176412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.176412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.176412 (E_RNA) where: Base-Base interactions energy: -29.800 where: short stacking energy: -29.800 Base-Backbone interact. energy: -0.029 local terms energy: -50.347559 where: bonds (distance) C4'-P energy: -9.972 bonds (distance) P-C4' energy: -12.761 flat angles C4'-P-C4' energy: -13.547 flat angles P-C4'-P energy: -5.669 tors. eta vs tors. theta energy: -8.400 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: 3 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -65.605008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.605008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.605008 (E_RNA) where: Base-Base interactions energy: -23.384 where: short stacking energy: -21.981 Base-Backbone interact. energy: -0.595 local terms energy: -41.626852 where: bonds (distance) C4'-P energy: -10.631 bonds (distance) P-C4' energy: -10.485 flat angles C4'-P-C4' energy: -9.853 flat angles P-C4'-P energy: -4.651 tors. eta vs tors. theta energy: -6.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -206.561523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.561523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.561523 (E_RNA) where: Base-Base interactions energy: -141.835 where: short stacking energy: -59.580 Base-Backbone interact. energy: -0.003 local terms energy: -64.724078 where: bonds (distance) C4'-P energy: -13.151 bonds (distance) P-C4' energy: -13.898 flat angles C4'-P-C4' energy: -12.960 flat angles P-C4'-P energy: -8.771 tors. eta vs tors. theta energy: -15.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -201.092766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.092766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.092766 (E_RNA) where: Base-Base interactions energy: -140.955 where: short stacking energy: -58.896 Base-Backbone interact. energy: -0.001 local terms energy: -60.136966 where: bonds (distance) C4'-P energy: -8.920 bonds (distance) P-C4' energy: -13.571 flat angles C4'-P-C4' energy: -13.311 flat angles P-C4'-P energy: -9.541 tors. eta vs tors. theta energy: -14.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -197.722177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.722177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.722177 (E_RNA) where: Base-Base interactions energy: -134.632 where: short stacking energy: -54.934 Base-Backbone interact. energy: -0.789 local terms energy: -62.301395 where: bonds (distance) C4'-P energy: -13.212 bonds (distance) P-C4' energy: -15.333 flat angles C4'-P-C4' energy: -13.724 flat angles P-C4'-P energy: -3.730 tors. eta vs tors. theta energy: -16.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -189.025822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.025822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.025822 (E_RNA) where: Base-Base interactions energy: -122.947 where: short stacking energy: -60.350 Base-Backbone interact. energy: -2.114 local terms energy: -63.965111 where: bonds (distance) C4'-P energy: -13.142 bonds (distance) P-C4' energy: -12.080 flat angles C4'-P-C4' energy: -12.728 flat angles P-C4'-P energy: -8.474 tors. eta vs tors. theta energy: -17.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -182.733357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.733357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.733357 (E_RNA) where: Base-Base interactions energy: -123.907 where: short stacking energy: -51.372 Base-Backbone interact. energy: -1.237 local terms energy: -57.589510 where: bonds (distance) C4'-P energy: -10.337 bonds (distance) P-C4' energy: -13.272 flat angles C4'-P-C4' energy: -13.194 flat angles P-C4'-P energy: -10.473 tors. eta vs tors. theta energy: -10.313 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: 9 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -193.164651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.164651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.164651 (E_RNA) where: Base-Base interactions energy: -134.311 where: short stacking energy: -57.228 Base-Backbone interact. energy: -0.004 local terms energy: -58.849579 where: bonds (distance) C4'-P energy: -11.061 bonds (distance) P-C4' energy: -12.405 flat angles C4'-P-C4' energy: -8.905 flat angles P-C4'-P energy: -9.476 tors. eta vs tors. theta energy: -17.004 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: 6 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -181.994706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.994706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.994706 (E_RNA) where: Base-Base interactions energy: -124.376 where: short stacking energy: -48.730 Base-Backbone interact. energy: 0.167 local terms energy: -57.785153 where: bonds (distance) C4'-P energy: -12.501 bonds (distance) P-C4' energy: -13.733 flat angles C4'-P-C4' energy: -11.456 flat angles P-C4'-P energy: -4.819 tors. eta vs tors. theta energy: -15.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -171.129487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.129487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.129487 (E_RNA) where: Base-Base interactions energy: -109.343 where: short stacking energy: -43.854 Base-Backbone interact. energy: -0.265 local terms energy: -61.521259 where: bonds (distance) C4'-P energy: -13.134 bonds (distance) P-C4' energy: -12.327 flat angles C4'-P-C4' energy: -13.568 flat angles P-C4'-P energy: -6.973 tors. eta vs tors. theta energy: -15.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -65.825150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.825150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.825150 (E_RNA) where: Base-Base interactions energy: -24.296 where: short stacking energy: -24.296 Base-Backbone interact. energy: -0.105 local terms energy: -41.423577 where: bonds (distance) C4'-P energy: -10.300 bonds (distance) P-C4' energy: -14.632 flat angles C4'-P-C4' energy: -11.221 flat angles P-C4'-P energy: -3.303 tors. eta vs tors. theta energy: -1.968 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: 3 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -72.358915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.358915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.358915 (E_RNA) where: Base-Base interactions energy: -33.676 where: short stacking energy: -23.105 Base-Backbone interact. energy: -0.028 local terms energy: -38.655592 where: bonds (distance) C4'-P energy: -11.466 bonds (distance) P-C4' energy: -13.525 flat angles C4'-P-C4' energy: -7.578 flat angles P-C4'-P energy: -3.082 tors. eta vs tors. theta energy: -3.004 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: 1 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -202.913705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.913705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.913705 (E_RNA) where: Base-Base interactions energy: -145.326 where: short stacking energy: -62.387 Base-Backbone interact. energy: -0.000 local terms energy: -57.587605 where: bonds (distance) C4'-P energy: -7.852 bonds (distance) P-C4' energy: -14.439 flat angles C4'-P-C4' energy: -11.541 flat angles P-C4'-P energy: -8.905 tors. eta vs tors. theta energy: -14.851 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: 2, replica: 10 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -198.367976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.367976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.367976 (E_RNA) where: Base-Base interactions energy: -137.399 where: short stacking energy: -59.242 Base-Backbone interact. energy: -0.007 local terms energy: -60.961920 where: bonds (distance) C4'-P energy: -10.993 bonds (distance) P-C4' energy: -11.031 flat angles C4'-P-C4' energy: -12.452 flat angles P-C4'-P energy: -10.384 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: 3, replica: 7 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -193.465161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.465161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.465161 (E_RNA) where: Base-Base interactions energy: -132.244 where: short stacking energy: -58.421 Base-Backbone interact. energy: -0.004 local terms energy: -61.216603 where: bonds (distance) C4'-P energy: -11.719 bonds (distance) P-C4' energy: -12.255 flat angles C4'-P-C4' energy: -10.122 flat angles P-C4'-P energy: -9.244 tors. eta vs tors. theta energy: -17.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -197.899116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.899116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.899116 (E_RNA) where: Base-Base interactions energy: -137.742 where: short stacking energy: -60.635 Base-Backbone interact. energy: -0.400 local terms energy: -59.757801 where: bonds (distance) C4'-P energy: -9.625 bonds (distance) P-C4' energy: -11.954 flat angles C4'-P-C4' energy: -11.545 flat angles P-C4'-P energy: -12.159 tors. eta vs tors. theta energy: -14.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -193.091564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.091564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.091564 (E_RNA) where: Base-Base interactions energy: -132.853 where: short stacking energy: -58.164 Base-Backbone interact. energy: -0.002 local terms energy: -60.236362 where: bonds (distance) C4'-P energy: -10.481 bonds (distance) P-C4' energy: -14.244 flat angles C4'-P-C4' energy: -11.754 flat angles P-C4'-P energy: -10.474 tors. eta vs tors. theta energy: -13.283 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: 2 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -169.350042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.350042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.350042 (E_RNA) where: Base-Base interactions energy: -115.411 where: short stacking energy: -47.796 Base-Backbone interact. energy: 1.428 local terms energy: -55.367116 where: bonds (distance) C4'-P energy: -12.858 bonds (distance) P-C4' energy: -10.818 flat angles C4'-P-C4' energy: -13.151 flat angles P-C4'-P energy: -7.855 tors. eta vs tors. theta energy: -10.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -172.249163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.249163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.249163 (E_RNA) where: Base-Base interactions energy: -121.049 where: short stacking energy: -52.061 Base-Backbone interact. energy: 0.652 local terms energy: -51.851591 where: bonds (distance) C4'-P energy: -8.089 bonds (distance) P-C4' energy: -11.632 flat angles C4'-P-C4' energy: -12.251 flat angles P-C4'-P energy: -8.536 tors. eta vs tors. theta energy: -11.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -175.149288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.149288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.149288 (E_RNA) where: Base-Base interactions energy: -121.074 where: short stacking energy: -49.454 Base-Backbone interact. energy: -0.016 local terms energy: -54.060147 where: bonds (distance) C4'-P energy: -9.628 bonds (distance) P-C4' energy: -12.768 flat angles C4'-P-C4' energy: -11.305 flat angles P-C4'-P energy: -6.227 tors. eta vs tors. theta energy: -14.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -72.186823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.186823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.186823 (E_RNA) where: Base-Base interactions energy: -25.753 where: short stacking energy: -21.873 Base-Backbone interact. energy: -0.221 local terms energy: -46.212399 where: bonds (distance) C4'-P energy: -11.528 bonds (distance) P-C4' energy: -8.346 flat angles C4'-P-C4' energy: -12.203 flat angles P-C4'-P energy: -6.883 tors. eta vs tors. theta energy: -7.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -64.829667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.829667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.829667 (E_RNA) where: Base-Base interactions energy: -18.775 where: short stacking energy: -15.874 Base-Backbone interact. energy: 0.123 local terms energy: -46.177913 where: bonds (distance) C4'-P energy: -13.003 bonds (distance) P-C4' energy: -11.743 flat angles C4'-P-C4' energy: -12.471 flat angles P-C4'-P energy: -6.185 tors. eta vs tors. theta energy: -2.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -203.891791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.891791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.891791 (E_RNA) where: Base-Base interactions energy: -136.767 where: short stacking energy: -58.478 Base-Backbone interact. energy: -0.007 local terms energy: -67.117805 where: bonds (distance) C4'-P energy: -12.344 bonds (distance) P-C4' energy: -15.097 flat angles C4'-P-C4' energy: -15.025 flat angles P-C4'-P energy: -9.224 tors. eta vs tors. theta energy: -15.427 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: 7 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -203.918653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.918653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.918653 (E_RNA) where: Base-Base interactions energy: -136.968 where: short stacking energy: -54.030 Base-Backbone interact. energy: 0.578 local terms energy: -67.528861 where: bonds (distance) C4'-P energy: -11.685 bonds (distance) P-C4' energy: -14.879 flat angles C4'-P-C4' energy: -14.447 flat angles P-C4'-P energy: -9.246 tors. eta vs tors. theta energy: -17.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -195.327574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.327574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.327574 (E_RNA) where: Base-Base interactions energy: -135.122 where: short stacking energy: -57.526 Base-Backbone interact. energy: -0.005 local terms energy: -60.200949 where: bonds (distance) C4'-P energy: -12.050 bonds (distance) P-C4' energy: -9.626 flat angles C4'-P-C4' energy: -15.340 flat angles P-C4'-P energy: -5.379 tors. eta vs tors. theta energy: -17.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -182.980339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.980339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.980339 (E_RNA) where: Base-Base interactions energy: -121.044 where: short stacking energy: -55.311 Base-Backbone interact. energy: -0.001 local terms energy: -61.935293 where: bonds (distance) C4'-P energy: -14.642 bonds (distance) P-C4' energy: -12.623 flat angles C4'-P-C4' energy: -13.020 flat angles P-C4'-P energy: -5.922 tors. eta vs tors. theta energy: -15.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -181.224113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.224113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.224113 (E_RNA) where: Base-Base interactions energy: -128.563 where: short stacking energy: -47.504 Base-Backbone interact. energy: -0.104 local terms energy: -52.556545 where: bonds (distance) C4'-P energy: -8.652 bonds (distance) P-C4' energy: -12.405 flat angles C4'-P-C4' energy: -9.004 flat angles P-C4'-P energy: -6.633 tors. eta vs tors. theta energy: -15.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -180.777690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.777690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.777690 (E_RNA) where: Base-Base interactions energy: -122.411 where: short stacking energy: -51.122 Base-Backbone interact. energy: -0.026 local terms energy: -58.340206 where: bonds (distance) C4'-P energy: -11.631 bonds (distance) P-C4' energy: -11.137 flat angles C4'-P-C4' energy: -11.900 flat angles P-C4'-P energy: -11.263 tors. eta vs tors. theta energy: -12.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -177.132807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.132807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.132807 (E_RNA) where: Base-Base interactions energy: -121.597 where: short stacking energy: -47.195 Base-Backbone interact. energy: -0.015 local terms energy: -55.520997 where: bonds (distance) C4'-P energy: -11.152 bonds (distance) P-C4' energy: -12.764 flat angles C4'-P-C4' energy: -13.250 flat angles P-C4'-P energy: -5.701 tors. eta vs tors. theta energy: -12.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -164.963148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.963148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.963148 (E_RNA) where: Base-Base interactions energy: -110.319 where: short stacking energy: -46.308 Base-Backbone interact. energy: -0.010 local terms energy: -54.634056 where: bonds (distance) C4'-P energy: -10.258 bonds (distance) P-C4' energy: -11.697 flat angles C4'-P-C4' energy: -10.533 flat angles P-C4'-P energy: -7.750 tors. eta vs tors. theta energy: -14.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -63.842483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.842483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.842483 (E_RNA) where: Base-Base interactions energy: -25.389 where: short stacking energy: -14.396 Base-Backbone interact. energy: -0.312 local terms energy: -38.141989 where: bonds (distance) C4'-P energy: -10.953 bonds (distance) P-C4' energy: -13.324 flat angles C4'-P-C4' energy: -11.595 flat angles P-C4'-P energy: -4.573 tors. eta vs tors. theta energy: 2.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -67.794163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.794163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.794163 (E_RNA) where: Base-Base interactions energy: -30.165 where: short stacking energy: -24.806 Base-Backbone interact. energy: -0.177 local terms energy: -37.452226 where: bonds (distance) C4'-P energy: -10.840 bonds (distance) P-C4' energy: -4.840 flat angles C4'-P-C4' energy: -11.148 flat angles P-C4'-P energy: -5.895 tors. eta vs tors. theta energy: -4.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -201.463020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.463020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.463020 (E_RNA) where: Base-Base interactions energy: -137.550 where: short stacking energy: -58.660 Base-Backbone interact. energy: -0.001 local terms energy: -63.912408 where: bonds (distance) C4'-P energy: -10.360 bonds (distance) P-C4' energy: -13.715 flat angles C4'-P-C4' energy: -14.264 flat angles P-C4'-P energy: -9.508 tors. eta vs tors. theta energy: -16.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -197.134074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.134074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.134074 (E_RNA) where: Base-Base interactions energy: -132.670 where: short stacking energy: -55.082 Base-Backbone interact. energy: -0.005 local terms energy: -64.459036 where: bonds (distance) C4'-P energy: -12.825 bonds (distance) P-C4' energy: -15.143 flat angles C4'-P-C4' energy: -12.578 flat angles P-C4'-P energy: -7.319 tors. eta vs tors. theta energy: -16.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -197.332105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.332105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.332105 (E_RNA) where: Base-Base interactions energy: -140.509 where: short stacking energy: -60.289 Base-Backbone interact. energy: -0.000 local terms energy: -56.822884 where: bonds (distance) C4'-P energy: -9.988 bonds (distance) P-C4' energy: -10.091 flat angles C4'-P-C4' energy: -12.442 flat angles P-C4'-P energy: -8.224 tors. eta vs tors. theta energy: -16.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -191.181007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.181007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.181007 (E_RNA) where: Base-Base interactions energy: -133.131 where: short stacking energy: -53.607 Base-Backbone interact. energy: -0.010 local terms energy: -58.040170 where: bonds (distance) C4'-P energy: -10.051 bonds (distance) P-C4' energy: -11.447 flat angles C4'-P-C4' energy: -13.813 flat angles P-C4'-P energy: -9.232 tors. eta vs tors. theta energy: -13.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -174.875200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.875200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.875200 (E_RNA) where: Base-Base interactions energy: -114.901 where: short stacking energy: -48.326 Base-Backbone interact. energy: -0.984 local terms energy: -58.990482 where: bonds (distance) C4'-P energy: -14.708 bonds (distance) P-C4' energy: -13.564 flat angles C4'-P-C4' energy: -10.665 flat angles P-C4'-P energy: -8.445 tors. eta vs tors. theta energy: -11.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -180.181050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.181050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.181050 (E_RNA) where: Base-Base interactions energy: -121.945 where: short stacking energy: -47.677 Base-Backbone interact. energy: -0.015 local terms energy: -58.221412 where: bonds (distance) C4'-P energy: -12.216 bonds (distance) P-C4' energy: -12.165 flat angles C4'-P-C4' energy: -12.896 flat angles P-C4'-P energy: -5.448 tors. eta vs tors. theta energy: -15.496 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: 2 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -170.363624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.363624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.363624 (E_RNA) where: Base-Base interactions energy: -113.900 where: short stacking energy: -43.217 Base-Backbone interact. energy: -0.104 local terms energy: -56.360060 where: bonds (distance) C4'-P energy: -10.935 bonds (distance) P-C4' energy: -13.236 flat angles C4'-P-C4' energy: -13.788 flat angles P-C4'-P energy: -10.605 tors. eta vs tors. theta energy: -7.796 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: 8, replica: 6 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -171.524672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.524672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.524672 (E_RNA) where: Base-Base interactions energy: -115.515 where: short stacking energy: -55.746 Base-Backbone interact. energy: -0.000 local terms energy: -56.009051 where: bonds (distance) C4'-P energy: -8.879 bonds (distance) P-C4' energy: -10.467 flat angles C4'-P-C4' energy: -10.832 flat angles P-C4'-P energy: -9.140 tors. eta vs tors. theta energy: -16.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -67.628908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.628908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.628908 (E_RNA) where: Base-Base interactions energy: -23.999 where: short stacking energy: -23.999 Base-Backbone interact. energy: -0.170 local terms energy: -43.460037 where: bonds (distance) C4'-P energy: -6.628 bonds (distance) P-C4' energy: -13.286 flat angles C4'-P-C4' energy: -9.775 flat angles P-C4'-P energy: -8.396 tors. eta vs tors. theta energy: -5.375 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: 3 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -62.438292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.438292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.438292 (E_RNA) where: Base-Base interactions energy: -35.414 where: short stacking energy: -35.414 Base-Backbone interact. energy: -0.027 local terms energy: -26.997166 where: bonds (distance) C4'-P energy: 1.443 bonds (distance) P-C4' energy: -11.756 flat angles C4'-P-C4' energy: -1.531 flat angles P-C4'-P energy: -7.185 tors. eta vs tors. theta energy: -7.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -202.019253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.019253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.019253 (E_RNA) where: Base-Base interactions energy: -139.465 where: short stacking energy: -60.552 Base-Backbone interact. energy: -0.002 local terms energy: -62.552054 where: bonds (distance) C4'-P energy: -9.997 bonds (distance) P-C4' energy: -13.994 flat angles C4'-P-C4' energy: -13.041 flat angles P-C4'-P energy: -10.228 tors. eta vs tors. theta energy: -15.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -205.468093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.468093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.468093 (E_RNA) where: Base-Base interactions energy: -139.446 where: short stacking energy: -56.502 Base-Backbone interact. energy: -0.004 local terms energy: -66.017666 where: bonds (distance) C4'-P energy: -13.623 bonds (distance) P-C4' energy: -14.417 flat angles C4'-P-C4' energy: -12.579 flat angles P-C4'-P energy: -8.336 tors. eta vs tors. theta energy: -17.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -197.587413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.587413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.587413 (E_RNA) where: Base-Base interactions energy: -134.715 where: short stacking energy: -59.764 Base-Backbone interact. energy: -0.009 local terms energy: -62.862567 where: bonds (distance) C4'-P energy: -12.058 bonds (distance) P-C4' energy: -13.605 flat angles C4'-P-C4' energy: -13.484 flat angles P-C4'-P energy: -8.275 tors. eta vs tors. theta energy: -15.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -167.685837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.685837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.685837 (E_RNA) where: Base-Base interactions energy: -112.199 where: short stacking energy: -46.555 Base-Backbone interact. energy: -0.177 local terms energy: -55.310081 where: bonds (distance) C4'-P energy: -12.266 bonds (distance) P-C4' energy: -12.356 flat angles C4'-P-C4' energy: -12.953 flat angles P-C4'-P energy: -6.649 tors. eta vs tors. theta energy: -11.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -182.383071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.383071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.383071 (E_RNA) where: Base-Base interactions energy: -125.116 where: short stacking energy: -55.706 Base-Backbone interact. energy: -0.013 local terms energy: -57.254052 where: bonds (distance) C4'-P energy: -10.001 bonds (distance) P-C4' energy: -10.693 flat angles C4'-P-C4' energy: -10.384 flat angles P-C4'-P energy: -9.769 tors. eta vs tors. theta energy: -16.407 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: 6, replica: 2 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -186.069637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.069637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.069637 (E_RNA) where: Base-Base interactions energy: -133.771 where: short stacking energy: -52.109 Base-Backbone interact. energy: -0.025 local terms energy: -52.274002 where: bonds (distance) C4'-P energy: -9.459 bonds (distance) P-C4' energy: -9.293 flat angles C4'-P-C4' energy: -11.237 flat angles P-C4'-P energy: -6.458 tors. eta vs tors. theta energy: -15.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -170.104402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.104402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.104402 (E_RNA) where: Base-Base interactions energy: -119.365 where: short stacking energy: -48.160 Base-Backbone interact. energy: 0.375 local terms energy: -51.114372 where: bonds (distance) C4'-P energy: -13.416 bonds (distance) P-C4' energy: -7.971 flat angles C4'-P-C4' energy: -11.623 flat angles P-C4'-P energy: -5.818 tors. eta vs tors. theta energy: -12.286 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: 6 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -178.385729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.385729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.385729 (E_RNA) where: Base-Base interactions energy: -119.536 where: short stacking energy: -51.255 Base-Backbone interact. energy: -0.008 local terms energy: -58.842358 where: bonds (distance) C4'-P energy: -12.537 bonds (distance) P-C4' energy: -10.115 flat angles C4'-P-C4' energy: -15.612 flat angles P-C4'-P energy: -8.626 tors. eta vs tors. theta energy: -11.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -74.516994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.516994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.516994 (E_RNA) where: Base-Base interactions energy: -27.813 where: short stacking energy: -27.813 Base-Backbone interact. energy: -0.079 local terms energy: -46.625170 where: bonds (distance) C4'-P energy: -11.082 bonds (distance) P-C4' energy: -14.029 flat angles C4'-P-C4' energy: -8.131 flat angles P-C4'-P energy: -8.083 tors. eta vs tors. theta energy: -5.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -68.729463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.729463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.729463 (E_RNA) where: Base-Base interactions energy: -33.261 where: short stacking energy: -24.573 Base-Backbone interact. energy: -0.014 local terms energy: -35.453803 where: bonds (distance) C4'-P energy: -10.345 bonds (distance) P-C4' energy: -3.696 flat angles C4'-P-C4' energy: -10.373 flat angles P-C4'-P energy: -6.877 tors. eta vs tors. theta energy: -4.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -202.862774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.862774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.862774 (E_RNA) where: Base-Base interactions energy: -138.938 where: short stacking energy: -57.122 Base-Backbone interact. energy: -0.004 local terms energy: -63.921228 where: bonds (distance) C4'-P energy: -10.477 bonds (distance) P-C4' energy: -13.088 flat angles C4'-P-C4' energy: -13.603 flat angles P-C4'-P energy: -10.159 tors. eta vs tors. theta energy: -16.594 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: 1 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -203.699356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.699356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.699356 (E_RNA) where: Base-Base interactions energy: -136.100 where: short stacking energy: -62.192 Base-Backbone interact. energy: -0.251 local terms energy: -67.348674 where: bonds (distance) C4'-P energy: -14.518 bonds (distance) P-C4' energy: -13.765 flat angles C4'-P-C4' energy: -12.397 flat angles P-C4'-P energy: -10.768 tors. eta vs tors. theta energy: -15.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -196.669506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.669506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.669506 (E_RNA) where: Base-Base interactions energy: -131.833 where: short stacking energy: -53.182 Base-Backbone interact. energy: -0.001 local terms energy: -64.836046 where: bonds (distance) C4'-P energy: -13.106 bonds (distance) P-C4' energy: -12.046 flat angles C4'-P-C4' energy: -13.118 flat angles P-C4'-P energy: -7.796 tors. eta vs tors. theta energy: -18.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -188.853711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.853711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.853711 (E_RNA) where: Base-Base interactions energy: -130.654 where: short stacking energy: -52.434 Base-Backbone interact. energy: -0.004 local terms energy: -58.195807 where: bonds (distance) C4'-P energy: -9.803 bonds (distance) P-C4' energy: -12.758 flat angles C4'-P-C4' energy: -11.625 flat angles P-C4'-P energy: -8.190 tors. eta vs tors. theta energy: -15.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -195.462406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.462406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.462406 (E_RNA) where: Base-Base interactions energy: -136.150 where: short stacking energy: -53.821 Base-Backbone interact. energy: -0.000 local terms energy: -59.311933 where: bonds (distance) C4'-P energy: -9.847 bonds (distance) P-C4' energy: -12.426 flat angles C4'-P-C4' energy: -9.651 flat angles P-C4'-P energy: -11.223 tors. eta vs tors. theta energy: -16.165 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: 6, replica: 10 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -182.077508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.077508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.077508 (E_RNA) where: Base-Base interactions energy: -118.817 where: short stacking energy: -49.857 Base-Backbone interact. energy: -0.183 local terms energy: -63.077998 where: bonds (distance) C4'-P energy: -10.639 bonds (distance) P-C4' energy: -13.046 flat angles C4'-P-C4' energy: -14.781 flat angles P-C4'-P energy: -10.862 tors. eta vs tors. theta energy: -13.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -168.470953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.470953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.470953 (E_RNA) where: Base-Base interactions energy: -116.427 where: short stacking energy: -50.285 Base-Backbone interact. energy: -0.484 local terms energy: -51.559776 where: bonds (distance) C4'-P energy: -10.381 bonds (distance) P-C4' energy: -9.926 flat angles C4'-P-C4' energy: -11.344 flat angles P-C4'-P energy: -7.834 tors. eta vs tors. theta energy: -12.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -171.145486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.145486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.145486 (E_RNA) where: Base-Base interactions energy: -115.952 where: short stacking energy: -46.732 Base-Backbone interact. energy: -0.127 local terms energy: -55.066433 where: bonds (distance) C4'-P energy: -10.919 bonds (distance) P-C4' energy: -13.984 flat angles C4'-P-C4' energy: -10.006 flat angles P-C4'-P energy: -6.616 tors. eta vs tors. theta energy: -13.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -66.829255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.829255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.829255 (E_RNA) where: Base-Base interactions energy: -29.802 where: short stacking energy: -24.775 Base-Backbone interact. energy: -0.043 local terms energy: -36.984100 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -10.179 flat angles C4'-P-C4' energy: -10.850 flat angles P-C4'-P energy: -6.832 tors. eta vs tors. theta energy: -0.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -65.998406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.998406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.998406 (E_RNA) where: Base-Base interactions energy: -23.639 where: short stacking energy: -22.635 Base-Backbone interact. energy: -0.034 local terms energy: -42.325321 where: bonds (distance) C4'-P energy: -12.032 bonds (distance) P-C4' energy: -14.287 flat angles C4'-P-C4' energy: -8.230 flat angles P-C4'-P energy: -8.792 tors. eta vs tors. theta energy: 1.017 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: 257 Temperature: 0.900000 Total energy: -201.484824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.484824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.484824 (E_RNA) where: Base-Base interactions energy: -135.212 where: short stacking energy: -57.555 Base-Backbone interact. energy: -0.019 local terms energy: -66.254090 where: bonds (distance) C4'-P energy: -11.422 bonds (distance) P-C4' energy: -13.251 flat angles C4'-P-C4' energy: -12.389 flat angles P-C4'-P energy: -11.869 tors. eta vs tors. theta energy: -17.324 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: 1 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -200.937359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.937359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.937359 (E_RNA) where: Base-Base interactions energy: -138.976 where: short stacking energy: -56.184 Base-Backbone interact. energy: -1.440 local terms energy: -60.522007 where: bonds (distance) C4'-P energy: -8.167 bonds (distance) P-C4' energy: -13.551 flat angles C4'-P-C4' energy: -11.614 flat angles P-C4'-P energy: -9.472 tors. eta vs tors. theta energy: -17.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -192.322029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.322029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.322029 (E_RNA) where: Base-Base interactions energy: -133.871 where: short stacking energy: -54.218 Base-Backbone interact. energy: 0.167 local terms energy: -58.618003 where: bonds (distance) C4'-P energy: -13.243 bonds (distance) P-C4' energy: -14.214 flat angles C4'-P-C4' energy: -10.554 flat angles P-C4'-P energy: -9.658 tors. eta vs tors. theta energy: -10.950 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: 2 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -182.260820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.260820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.260820 (E_RNA) where: Base-Base interactions energy: -133.458 where: short stacking energy: -46.822 Base-Backbone interact. energy: -0.193 local terms energy: -48.610188 where: bonds (distance) C4'-P energy: -11.338 bonds (distance) P-C4' energy: -6.845 flat angles C4'-P-C4' energy: -13.308 flat angles P-C4'-P energy: -8.466 tors. eta vs tors. theta energy: -8.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -177.941700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.941700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.941700 (E_RNA) where: Base-Base interactions energy: -125.260 where: short stacking energy: -42.894 Base-Backbone interact. energy: -0.282 local terms energy: -52.399912 where: bonds (distance) C4'-P energy: -8.900 bonds (distance) P-C4' energy: -15.104 flat angles C4'-P-C4' energy: -10.258 flat angles P-C4'-P energy: -8.904 tors. eta vs tors. theta energy: -9.234 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: 257 Temperature: 1.150000 Total energy: -164.541254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.541254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.541254 (E_RNA) where: Base-Base interactions energy: -115.949 where: short stacking energy: -44.037 Base-Backbone interact. energy: -0.272 local terms energy: -48.320395 where: bonds (distance) C4'-P energy: -9.939 bonds (distance) P-C4' energy: -13.519 flat angles C4'-P-C4' energy: -13.319 flat angles P-C4'-P energy: -3.645 tors. eta vs tors. theta energy: -7.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -168.269898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.269898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.269898 (E_RNA) where: Base-Base interactions energy: -118.717 where: short stacking energy: -49.588 Base-Backbone interact. energy: 0.366 local terms energy: -49.918419 where: bonds (distance) C4'-P energy: -10.307 bonds (distance) P-C4' energy: -13.640 flat angles C4'-P-C4' energy: -13.095 flat angles P-C4'-P energy: -4.124 tors. eta vs tors. theta energy: -8.752 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: 8, replica: 5 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -176.434107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.434107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.434107 (E_RNA) where: Base-Base interactions energy: -129.698 where: short stacking energy: -57.164 Base-Backbone interact. energy: -0.301 local terms energy: -46.435455 where: bonds (distance) C4'-P energy: -5.713 bonds (distance) P-C4' energy: -9.810 flat angles C4'-P-C4' energy: -11.997 flat angles P-C4'-P energy: -4.539 tors. eta vs tors. theta energy: -14.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -64.425585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.425585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.425585 (E_RNA) where: Base-Base interactions energy: -24.250 where: short stacking energy: -24.250 Base-Backbone interact. energy: -0.173 local terms energy: -40.003009 where: bonds (distance) C4'-P energy: -10.940 bonds (distance) P-C4' energy: -10.963 flat angles C4'-P-C4' energy: -11.522 flat angles P-C4'-P energy: -3.933 tors. eta vs tors. theta energy: -2.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -66.224797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.224797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.224797 (E_RNA) where: Base-Base interactions energy: -26.723 where: short stacking energy: -22.826 Base-Backbone interact. energy: -0.029 local terms energy: -39.472910 where: bonds (distance) C4'-P energy: -7.446 bonds (distance) P-C4' energy: -14.202 flat angles C4'-P-C4' energy: -7.675 flat angles P-C4'-P energy: -3.981 tors. eta vs tors. theta energy: -6.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -200.082600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.082600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.082600 (E_RNA) where: Base-Base interactions energy: -140.519 where: short stacking energy: -61.256 Base-Backbone interact. energy: -0.001 local terms energy: -59.562591 where: bonds (distance) C4'-P energy: -11.938 bonds (distance) P-C4' energy: -12.940 flat angles C4'-P-C4' energy: -13.442 flat angles P-C4'-P energy: -7.359 tors. eta vs tors. theta energy: -13.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -201.501053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.501053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.501053 (E_RNA) where: Base-Base interactions energy: -131.702 where: short stacking energy: -53.220 Base-Backbone interact. energy: 0.259 local terms energy: -70.058028 where: bonds (distance) C4'-P energy: -13.258 bonds (distance) P-C4' energy: -15.051 flat angles C4'-P-C4' energy: -13.649 flat angles P-C4'-P energy: -10.692 tors. eta vs tors. theta energy: -17.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -190.696986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.696986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.696986 (E_RNA) where: Base-Base interactions energy: -124.253 where: short stacking energy: -47.646 Base-Backbone interact. energy: -0.081 local terms energy: -66.362729 where: bonds (distance) C4'-P energy: -12.579 bonds (distance) P-C4' energy: -14.621 flat angles C4'-P-C4' energy: -14.323 flat angles P-C4'-P energy: -11.926 tors. eta vs tors. theta energy: -12.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -198.279160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.279160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.279160 (E_RNA) where: Base-Base interactions energy: -133.350 where: short stacking energy: -56.693 Base-Backbone interact. energy: -0.591 local terms energy: -64.338051 where: bonds (distance) C4'-P energy: -13.470 bonds (distance) P-C4' energy: -14.790 flat angles C4'-P-C4' energy: -11.009 flat angles P-C4'-P energy: -10.146 tors. eta vs tors. theta energy: -14.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -192.182897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.182897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.182897 (E_RNA) where: Base-Base interactions energy: -136.456 where: short stacking energy: -58.007 Base-Backbone interact. energy: -0.004 local terms energy: -55.722302 where: bonds (distance) C4'-P energy: -6.321 bonds (distance) P-C4' energy: -12.549 flat angles C4'-P-C4' energy: -12.001 flat angles P-C4'-P energy: -8.873 tors. eta vs tors. theta energy: -15.978 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: 6, replica: 4 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -188.608839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.608839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.608839 (E_RNA) where: Base-Base interactions energy: -133.927 where: short stacking energy: -54.838 Base-Backbone interact. energy: -0.089 local terms energy: -54.592628 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -8.089 flat angles C4'-P-C4' energy: -12.035 flat angles P-C4'-P energy: -8.471 tors. eta vs tors. theta energy: -17.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -180.924728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.924728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.924728 (E_RNA) where: Base-Base interactions energy: -127.847 where: short stacking energy: -51.744 Base-Backbone interact. energy: -0.049 local terms energy: -53.029060 where: bonds (distance) C4'-P energy: -12.858 bonds (distance) P-C4' energy: -10.833 flat angles C4'-P-C4' energy: -11.282 flat angles P-C4'-P energy: -5.709 tors. eta vs tors. theta energy: -12.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -169.808382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.808382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.808382 (E_RNA) where: Base-Base interactions energy: -118.817 where: short stacking energy: -49.465 Base-Backbone interact. energy: 0.184 local terms energy: -51.175400 where: bonds (distance) C4'-P energy: -6.627 bonds (distance) P-C4' energy: -10.647 flat angles C4'-P-C4' energy: -9.464 flat angles P-C4'-P energy: -7.057 tors. eta vs tors. theta energy: -17.380 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: 3 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -67.198080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.198080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.198080 (E_RNA) where: Base-Base interactions energy: -23.853 where: short stacking energy: -23.853 Base-Backbone interact. energy: -0.175 local terms energy: -43.170622 where: bonds (distance) C4'-P energy: -12.467 bonds (distance) P-C4' energy: -13.057 flat angles C4'-P-C4' energy: -11.750 flat angles P-C4'-P energy: -7.509 tors. eta vs tors. theta energy: 1.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -85.805020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.805020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.805020 (E_RNA) where: Base-Base interactions energy: -51.048 where: short stacking energy: -18.902 Base-Backbone interact. energy: -0.349 local terms energy: -34.407690 where: bonds (distance) C4'-P energy: -12.484 bonds (distance) P-C4' energy: -12.625 flat angles C4'-P-C4' energy: -9.714 flat angles P-C4'-P energy: 0.880 tors. eta vs tors. theta energy: -0.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -204.551086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.551086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.551086 (E_RNA) where: Base-Base interactions energy: -142.557 where: short stacking energy: -59.049 Base-Backbone interact. energy: -0.045 local terms energy: -61.949175 where: bonds (distance) C4'-P energy: -10.883 bonds (distance) P-C4' energy: -11.855 flat angles C4'-P-C4' energy: -15.665 flat angles P-C4'-P energy: -6.860 tors. eta vs tors. theta energy: -16.686 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: 2, replica: 9 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -201.257739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.257739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.257739 (E_RNA) where: Base-Base interactions energy: -139.819 where: short stacking energy: -59.426 Base-Backbone interact. energy: -0.083 local terms energy: -61.355806 where: bonds (distance) C4'-P energy: -12.953 bonds (distance) P-C4' energy: -12.328 flat angles C4'-P-C4' energy: -13.697 flat angles P-C4'-P energy: -6.090 tors. eta vs tors. theta energy: -16.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -196.825943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.825943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.825943 (E_RNA) where: Base-Base interactions energy: -131.211 where: short stacking energy: -54.450 Base-Backbone interact. energy: -0.001 local terms energy: -65.614827 where: bonds (distance) C4'-P energy: -12.315 bonds (distance) P-C4' energy: -13.116 flat angles C4'-P-C4' energy: -14.169 flat angles P-C4'-P energy: -8.529 tors. eta vs tors. theta energy: -17.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -191.220111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.220111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.220111 (E_RNA) where: Base-Base interactions energy: -133.605 where: short stacking energy: -56.055 Base-Backbone interact. energy: 0.286 local terms energy: -57.901138 where: bonds (distance) C4'-P energy: -13.157 bonds (distance) P-C4' energy: -5.815 flat angles C4'-P-C4' energy: -13.809 flat angles P-C4'-P energy: -10.621 tors. eta vs tors. theta energy: -14.500 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: 7 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -183.578273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.578273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.578273 (E_RNA) where: Base-Base interactions energy: -127.475 where: short stacking energy: -46.244 Base-Backbone interact. energy: -0.066 local terms energy: -56.037315 where: bonds (distance) C4'-P energy: -12.199 bonds (distance) P-C4' energy: -14.138 flat angles C4'-P-C4' energy: -12.133 flat angles P-C4'-P energy: -6.345 tors. eta vs tors. theta energy: -11.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -183.096892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.096892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.096892 (E_RNA) where: Base-Base interactions energy: -128.474 where: short stacking energy: -52.372 Base-Backbone interact. energy: -0.103 local terms energy: -54.519222 where: bonds (distance) C4'-P energy: -7.397 bonds (distance) P-C4' energy: -12.123 flat angles C4'-P-C4' energy: -13.192 flat angles P-C4'-P energy: -7.419 tors. eta vs tors. theta energy: -14.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -185.897558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.897558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.897558 (E_RNA) where: Base-Base interactions energy: -127.326 where: short stacking energy: -50.685 Base-Backbone interact. energy: -0.001 local terms energy: -58.570313 where: bonds (distance) C4'-P energy: -11.586 bonds (distance) P-C4' energy: -13.853 flat angles C4'-P-C4' energy: -11.290 flat angles P-C4'-P energy: -6.491 tors. eta vs tors. theta energy: -15.350 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: 8, replica: 10 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -176.766851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.766851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.766851 (E_RNA) where: Base-Base interactions energy: -116.618 where: short stacking energy: -41.049 Base-Backbone interact. energy: -0.000 local terms energy: -60.148752 where: bonds (distance) C4'-P energy: -13.010 bonds (distance) P-C4' energy: -15.802 flat angles C4'-P-C4' energy: -11.456 flat angles P-C4'-P energy: -3.947 tors. eta vs tors. theta energy: -15.934 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: 3 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -76.528180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.528180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.528180 (E_RNA) where: Base-Base interactions energy: -32.573 where: short stacking energy: -21.646 Base-Backbone interact. energy: -0.177 local terms energy: -43.777775 where: bonds (distance) C4'-P energy: -10.543 bonds (distance) P-C4' energy: -12.874 flat angles C4'-P-C4' energy: -9.882 flat angles P-C4'-P energy: -8.687 tors. eta vs tors. theta energy: -1.792 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: 8 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -76.423291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.423291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.423291 (E_RNA) where: Base-Base interactions energy: -25.314 where: short stacking energy: -24.700 Base-Backbone interact. energy: -0.053 local terms energy: -51.056369 where: bonds (distance) C4'-P energy: -11.988 bonds (distance) P-C4' energy: -13.250 flat angles C4'-P-C4' energy: -10.467 flat angles P-C4'-P energy: -8.988 tors. eta vs tors. theta energy: -6.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -205.831898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.831898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.831898 (E_RNA) where: Base-Base interactions energy: -139.364 where: short stacking energy: -57.647 Base-Backbone interact. energy: -0.000 local terms energy: -66.468029 where: bonds (distance) C4'-P energy: -13.479 bonds (distance) P-C4' energy: -12.730 flat angles C4'-P-C4' energy: -14.603 flat angles P-C4'-P energy: -7.810 tors. eta vs tors. theta energy: -17.847 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: 9 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -203.424422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.424422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.424422 (E_RNA) where: Base-Base interactions energy: -138.477 where: short stacking energy: -59.019 Base-Backbone interact. energy: -0.008 local terms energy: -64.939185 where: bonds (distance) C4'-P energy: -10.474 bonds (distance) P-C4' energy: -14.134 flat angles C4'-P-C4' energy: -11.961 flat angles P-C4'-P energy: -11.834 tors. eta vs tors. theta energy: -16.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -192.683629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.683629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.683629 (E_RNA) where: Base-Base interactions energy: -132.075 where: short stacking energy: -54.135 Base-Backbone interact. energy: -0.002 local terms energy: -60.606990 where: bonds (distance) C4'-P energy: -13.106 bonds (distance) P-C4' energy: -8.402 flat angles C4'-P-C4' energy: -12.901 flat angles P-C4'-P energy: -10.533 tors. eta vs tors. theta energy: -15.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -195.321437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.321437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.321437 (E_RNA) where: Base-Base interactions energy: -131.470 where: short stacking energy: -59.895 Base-Backbone interact. energy: 0.377 local terms energy: -64.228304 where: bonds (distance) C4'-P energy: -12.937 bonds (distance) P-C4' energy: -14.255 flat angles C4'-P-C4' energy: -13.254 flat angles P-C4'-P energy: -8.713 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: 5, replica: 5 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -196.089474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.089474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.089474 (E_RNA) where: Base-Base interactions energy: -135.474 where: short stacking energy: -56.607 Base-Backbone interact. energy: -0.000 local terms energy: -60.615110 where: bonds (distance) C4'-P energy: -10.667 bonds (distance) P-C4' energy: -13.309 flat angles C4'-P-C4' energy: -13.955 flat angles P-C4'-P energy: -5.810 tors. eta vs tors. theta energy: -16.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -177.338770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.338770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.338770 (E_RNA) where: Base-Base interactions energy: -124.182 where: short stacking energy: -51.855 Base-Backbone interact. energy: -0.011 local terms energy: -53.145647 where: bonds (distance) C4'-P energy: -10.042 bonds (distance) P-C4' energy: -13.920 flat angles C4'-P-C4' energy: -10.214 flat angles P-C4'-P energy: -7.013 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: 7, replica: 10 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -175.947248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.947248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.947248 (E_RNA) where: Base-Base interactions energy: -119.606 where: short stacking energy: -52.016 Base-Backbone interact. energy: -0.039 local terms energy: -56.302991 where: bonds (distance) C4'-P energy: -10.191 bonds (distance) P-C4' energy: -13.849 flat angles C4'-P-C4' energy: -11.852 flat angles P-C4'-P energy: -7.049 tors. eta vs tors. theta energy: -13.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -179.771791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.771791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.771791 (E_RNA) where: Base-Base interactions energy: -126.003 where: short stacking energy: -49.607 Base-Backbone interact. energy: -0.009 local terms energy: -53.759955 where: bonds (distance) C4'-P energy: -12.465 bonds (distance) P-C4' energy: -7.264 flat angles C4'-P-C4' energy: -12.521 flat angles P-C4'-P energy: -8.148 tors. eta vs tors. theta energy: -13.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -65.347519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.347519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.347519 (E_RNA) where: Base-Base interactions energy: -26.763 where: short stacking energy: -26.560 Base-Backbone interact. energy: -0.103 local terms energy: -38.481362 where: bonds (distance) C4'-P energy: -9.082 bonds (distance) P-C4' energy: -10.143 flat angles C4'-P-C4' energy: -10.177 flat angles P-C4'-P energy: -7.811 tors. eta vs tors. theta energy: -1.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -60.562276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.562276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.562276 (E_RNA) where: Base-Base interactions energy: -21.662 where: short stacking energy: -21.662 Base-Backbone interact. energy: -0.113 local terms energy: -38.787131 where: bonds (distance) C4'-P energy: -10.179 bonds (distance) P-C4' energy: -13.299 flat angles C4'-P-C4' energy: -6.565 flat angles P-C4'-P energy: -9.806 tors. eta vs tors. theta energy: 1.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -198.550589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.550589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.550589 (E_RNA) where: Base-Base interactions energy: -138.364 where: short stacking energy: -54.895 Base-Backbone interact. energy: -0.099 local terms energy: -60.087735 where: bonds (distance) C4'-P energy: -7.707 bonds (distance) P-C4' energy: -12.619 flat angles C4'-P-C4' energy: -13.954 flat angles P-C4'-P energy: -7.986 tors. eta vs tors. theta energy: -17.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -200.470717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.470717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.470717 (E_RNA) where: Base-Base interactions energy: -134.233 where: short stacking energy: -57.172 Base-Backbone interact. energy: -0.000 local terms energy: -66.236971 where: bonds (distance) C4'-P energy: -12.625 bonds (distance) P-C4' energy: -11.708 flat angles C4'-P-C4' energy: -13.969 flat angles P-C4'-P energy: -10.961 tors. eta vs tors. theta energy: -16.974 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: 6 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -194.449014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.449014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.449014 (E_RNA) where: Base-Base interactions energy: -136.708 where: short stacking energy: -55.219 Base-Backbone interact. energy: -0.374 local terms energy: -57.366659 where: bonds (distance) C4'-P energy: -11.681 bonds (distance) P-C4' energy: -12.030 flat angles C4'-P-C4' energy: -8.039 flat angles P-C4'-P energy: -10.567 tors. eta vs tors. theta energy: -15.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -182.175756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.175756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.175756 (E_RNA) where: Base-Base interactions energy: -131.214 where: short stacking energy: -53.487 Base-Backbone interact. energy: 1.654 local terms energy: -52.615687 where: bonds (distance) C4'-P energy: -8.123 bonds (distance) P-C4' energy: -7.943 flat angles C4'-P-C4' energy: -13.869 flat angles P-C4'-P energy: -8.027 tors. eta vs tors. theta energy: -14.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -188.552803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.552803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.552803 (E_RNA) where: Base-Base interactions energy: -132.238 where: short stacking energy: -53.573 Base-Backbone interact. energy: -0.386 local terms energy: -55.929127 where: bonds (distance) C4'-P energy: -8.679 bonds (distance) P-C4' energy: -11.948 flat angles C4'-P-C4' energy: -11.709 flat angles P-C4'-P energy: -8.678 tors. eta vs tors. theta energy: -14.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -185.186306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.186306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.186306 (E_RNA) where: Base-Base interactions energy: -123.663 where: short stacking energy: -54.305 Base-Backbone interact. energy: -0.095 local terms energy: -61.428685 where: bonds (distance) C4'-P energy: -10.614 bonds (distance) P-C4' energy: -11.786 flat angles C4'-P-C4' energy: -15.032 flat angles P-C4'-P energy: -10.792 tors. eta vs tors. theta energy: -13.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -174.233578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.233578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.233578 (E_RNA) where: Base-Base interactions energy: -120.999 where: short stacking energy: -47.262 Base-Backbone interact. energy: 0.833 local terms energy: -54.067980 where: bonds (distance) C4'-P energy: -12.008 bonds (distance) P-C4' energy: -9.306 flat angles C4'-P-C4' energy: -11.951 flat angles P-C4'-P energy: -8.636 tors. eta vs tors. theta energy: -12.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -175.794502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.794502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.794502 (E_RNA) where: Base-Base interactions energy: -122.708 where: short stacking energy: -50.367 Base-Backbone interact. energy: -0.098 local terms energy: -52.988963 where: bonds (distance) C4'-P energy: -9.968 bonds (distance) P-C4' energy: -9.386 flat angles C4'-P-C4' energy: -13.415 flat angles P-C4'-P energy: -9.331 tors. eta vs tors. theta energy: -10.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -72.525517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.525517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.525517 (E_RNA) where: Base-Base interactions energy: -31.834 where: short stacking energy: -31.834 Base-Backbone interact. energy: 0.583 local terms energy: -41.275122 where: bonds (distance) C4'-P energy: -12.687 bonds (distance) P-C4' energy: -13.790 flat angles C4'-P-C4' energy: -10.089 flat angles P-C4'-P energy: -0.449 tors. eta vs tors. theta energy: -4.260 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: 10, replica: 3 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -64.292104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.292104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.292104 (E_RNA) where: Base-Base interactions energy: -20.501 where: short stacking energy: -20.501 Base-Backbone interact. energy: -0.025 local terms energy: -43.765238 where: bonds (distance) C4'-P energy: -9.868 bonds (distance) P-C4' energy: -10.531 flat angles C4'-P-C4' energy: -12.407 flat angles P-C4'-P energy: -7.542 tors. eta vs tors. theta energy: -3.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -201.460882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.460882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.460882 (E_RNA) where: Base-Base interactions energy: -141.461 where: short stacking energy: -59.706 Base-Backbone interact. energy: -0.610 local terms energy: -59.389497 where: bonds (distance) C4'-P energy: -13.900 bonds (distance) P-C4' energy: -11.923 flat angles C4'-P-C4' energy: -12.972 flat angles P-C4'-P energy: -5.247 tors. eta vs tors. theta energy: -15.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -199.494848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.494848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.494848 (E_RNA) where: Base-Base interactions energy: -135.191 where: short stacking energy: -57.877 Base-Backbone interact. energy: -0.002 local terms energy: -64.301500 where: bonds (distance) C4'-P energy: -13.549 bonds (distance) P-C4' energy: -13.299 flat angles C4'-P-C4' energy: -12.405 flat angles P-C4'-P energy: -10.559 tors. eta vs tors. theta energy: -14.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -198.253635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.253635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.253635 (E_RNA) where: Base-Base interactions energy: -133.546 where: short stacking energy: -61.773 Base-Backbone interact. energy: -0.001 local terms energy: -64.707027 where: bonds (distance) C4'-P energy: -14.278 bonds (distance) P-C4' energy: -10.865 flat angles C4'-P-C4' energy: -14.264 flat angles P-C4'-P energy: -8.429 tors. eta vs tors. theta energy: -16.871 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: 4, replica: 6 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -193.104938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.104938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.104938 (E_RNA) where: Base-Base interactions energy: -135.414 where: short stacking energy: -59.477 Base-Backbone interact. energy: -0.096 local terms energy: -57.595221 where: bonds (distance) C4'-P energy: -12.572 bonds (distance) P-C4' energy: -11.656 flat angles C4'-P-C4' energy: -10.282 flat angles P-C4'-P energy: -5.068 tors. eta vs tors. theta energy: -18.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -195.865030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.865030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.865030 (E_RNA) where: Base-Base interactions energy: -133.308 where: short stacking energy: -57.086 Base-Backbone interact. energy: -0.171 local terms energy: -62.386106 where: bonds (distance) C4'-P energy: -13.540 bonds (distance) P-C4' energy: -13.625 flat angles C4'-P-C4' energy: -13.327 flat angles P-C4'-P energy: -5.235 tors. eta vs tors. theta energy: -16.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -177.150866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.150866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.150866 (E_RNA) where: Base-Base interactions energy: -123.016 where: short stacking energy: -46.842 Base-Backbone interact. energy: -0.148 local terms energy: -53.987560 where: bonds (distance) C4'-P energy: -6.365 bonds (distance) P-C4' energy: -12.143 flat angles C4'-P-C4' energy: -13.400 flat angles P-C4'-P energy: -8.738 tors. eta vs tors. theta energy: -13.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -166.070467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.070467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.070467 (E_RNA) where: Base-Base interactions energy: -113.241 where: short stacking energy: -40.183 Base-Backbone interact. energy: -0.258 local terms energy: -52.571858 where: bonds (distance) C4'-P energy: -11.008 bonds (distance) P-C4' energy: -14.553 flat angles C4'-P-C4' energy: -7.575 flat angles P-C4'-P energy: -10.760 tors. eta vs tors. theta energy: -8.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -176.855027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.855027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.855027 (E_RNA) where: Base-Base interactions energy: -123.103 where: short stacking energy: -54.855 Base-Backbone interact. energy: 1.287 local terms energy: -55.038633 where: bonds (distance) C4'-P energy: -10.000 bonds (distance) P-C4' energy: -11.635 flat angles C4'-P-C4' energy: -10.704 flat angles P-C4'-P energy: -7.415 tors. eta vs tors. theta energy: -15.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -63.608051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.608051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.608051 (E_RNA) where: Base-Base interactions energy: -26.468 where: short stacking energy: -26.468 Base-Backbone interact. energy: -0.150 local terms energy: -36.989190 where: bonds (distance) C4'-P energy: -8.228 bonds (distance) P-C4' energy: -12.644 flat angles C4'-P-C4' energy: -5.608 flat angles P-C4'-P energy: -6.719 tors. eta vs tors. theta energy: -3.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -78.628133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.628133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.628133 (E_RNA) where: Base-Base interactions energy: -29.456 where: short stacking energy: -29.456 Base-Backbone interact. energy: -0.004 local terms energy: -49.167991 where: bonds (distance) C4'-P energy: -10.560 bonds (distance) P-C4' energy: -14.889 flat angles C4'-P-C4' energy: -7.718 flat angles P-C4'-P energy: -6.333 tors. eta vs tors. theta energy: -9.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -202.369661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.369661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.369661 (E_RNA) where: Base-Base interactions energy: -140.846 where: short stacking energy: -56.030 Base-Backbone interact. energy: -0.001 local terms energy: -61.522214 where: bonds (distance) C4'-P energy: -13.458 bonds (distance) P-C4' energy: -13.529 flat angles C4'-P-C4' energy: -13.684 flat angles P-C4'-P energy: -6.520 tors. eta vs tors. theta energy: -14.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -189.831122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.831122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.831122 (E_RNA) where: Base-Base interactions energy: -128.673 where: short stacking energy: -54.808 Base-Backbone interact. energy: -0.011 local terms energy: -61.147520 where: bonds (distance) C4'-P energy: -10.932 bonds (distance) P-C4' energy: -12.784 flat angles C4'-P-C4' energy: -13.042 flat angles P-C4'-P energy: -9.538 tors. eta vs tors. theta energy: -14.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -199.547939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.547939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.547939 (E_RNA) where: Base-Base interactions energy: -139.934 where: short stacking energy: -62.313 Base-Backbone interact. energy: -0.001 local terms energy: -59.612261 where: bonds (distance) C4'-P energy: -9.682 bonds (distance) P-C4' energy: -12.109 flat angles C4'-P-C4' energy: -12.402 flat angles P-C4'-P energy: -8.636 tors. eta vs tors. theta energy: -16.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -187.803136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.803136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.803136 (E_RNA) where: Base-Base interactions energy: -133.088 where: short stacking energy: -58.275 Base-Backbone interact. energy: -0.030 local terms energy: -54.685142 where: bonds (distance) C4'-P energy: -9.011 bonds (distance) P-C4' energy: -11.745 flat angles C4'-P-C4' energy: -11.821 flat angles P-C4'-P energy: -7.852 tors. eta vs tors. theta energy: -14.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -185.849139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.849139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.849139 (E_RNA) where: Base-Base interactions energy: -117.905 where: short stacking energy: -47.944 Base-Backbone interact. energy: -0.001 local terms energy: -67.943062 where: bonds (distance) C4'-P energy: -14.278 bonds (distance) P-C4' energy: -15.094 flat angles C4'-P-C4' energy: -13.218 flat angles P-C4'-P energy: -8.501 tors. eta vs tors. theta energy: -16.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -172.423453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.423453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.423453 (E_RNA) where: Base-Base interactions energy: -114.050 where: short stacking energy: -49.417 Base-Backbone interact. energy: -0.058 local terms energy: -58.314720 where: bonds (distance) C4'-P energy: -10.270 bonds (distance) P-C4' energy: -12.341 flat angles C4'-P-C4' energy: -14.155 flat angles P-C4'-P energy: -8.634 tors. eta vs tors. theta energy: -12.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -169.261522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.261522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.261522 (E_RNA) where: Base-Base interactions energy: -122.607 where: short stacking energy: -43.029 Base-Backbone interact. energy: -0.121 local terms energy: -46.533613 where: bonds (distance) C4'-P energy: -12.734 bonds (distance) P-C4' energy: -4.015 flat angles C4'-P-C4' energy: -11.195 flat angles P-C4'-P energy: -6.754 tors. eta vs tors. theta energy: -11.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -171.225421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.225421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.225421 (E_RNA) where: Base-Base interactions energy: -116.637 where: short stacking energy: -43.567 Base-Backbone interact. energy: -0.111 local terms energy: -54.477358 where: bonds (distance) C4'-P energy: -11.954 bonds (distance) P-C4' energy: -10.619 flat angles C4'-P-C4' energy: -11.770 flat angles P-C4'-P energy: -8.320 tors. eta vs tors. theta energy: -11.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -73.341334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.341334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.341334 (E_RNA) where: Base-Base interactions energy: -27.353 where: short stacking energy: -26.208 Base-Backbone interact. energy: -0.029 local terms energy: -45.959544 where: bonds (distance) C4'-P energy: -11.951 bonds (distance) P-C4' energy: -9.531 flat angles C4'-P-C4' energy: -11.981 flat angles P-C4'-P energy: -7.358 tors. eta vs tors. theta energy: -5.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -72.397011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.397011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.397011 (E_RNA) where: Base-Base interactions energy: -28.869 where: short stacking energy: -22.962 Base-Backbone interact. energy: -0.046 local terms energy: -43.482191 where: bonds (distance) C4'-P energy: -9.732 bonds (distance) P-C4' energy: -12.442 flat angles C4'-P-C4' energy: -11.507 flat angles P-C4'-P energy: -7.180 tors. eta vs tors. theta energy: -2.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -199.387905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.387905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.387905 (E_RNA) where: Base-Base interactions energy: -135.997 where: short stacking energy: -57.089 Base-Backbone interact. energy: -0.101 local terms energy: -63.289981 where: bonds (distance) C4'-P energy: -12.473 bonds (distance) P-C4' energy: -11.158 flat angles C4'-P-C4' energy: -12.481 flat angles P-C4'-P energy: -9.375 tors. eta vs tors. theta energy: -17.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -194.312573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.312573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.312573 (E_RNA) where: Base-Base interactions energy: -133.816 where: short stacking energy: -53.439 Base-Backbone interact. energy: -0.195 local terms energy: -60.301329 where: bonds (distance) C4'-P energy: -12.526 bonds (distance) P-C4' energy: -11.940 flat angles C4'-P-C4' energy: -13.734 flat angles P-C4'-P energy: -6.924 tors. eta vs tors. theta energy: -15.177 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: 2 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -209.186081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.186081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.186081 (E_RNA) where: Base-Base interactions energy: -143.972 where: short stacking energy: -59.671 Base-Backbone interact. energy: -0.001 local terms energy: -65.213724 where: bonds (distance) C4'-P energy: -14.919 bonds (distance) P-C4' energy: -15.333 flat angles C4'-P-C4' energy: -10.213 flat angles P-C4'-P energy: -8.355 tors. eta vs tors. theta energy: -16.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -192.469960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.469960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.469960 (E_RNA) where: Base-Base interactions energy: -132.551 where: short stacking energy: -55.761 Base-Backbone interact. energy: -0.007 local terms energy: -59.911511 where: bonds (distance) C4'-P energy: -12.581 bonds (distance) P-C4' energy: -11.840 flat angles C4'-P-C4' energy: -12.276 flat angles P-C4'-P energy: -6.762 tors. eta vs tors. theta energy: -16.453 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: 4 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -172.007037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.007037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.007037 (E_RNA) where: Base-Base interactions energy: -122.752 where: short stacking energy: -46.001 Base-Backbone interact. energy: -0.023 local terms energy: -49.232233 where: bonds (distance) C4'-P energy: -10.386 bonds (distance) P-C4' energy: -9.321 flat angles C4'-P-C4' energy: -10.611 flat angles P-C4'-P energy: -4.435 tors. eta vs tors. theta energy: -14.479 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: 6, replica: 6 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -182.596634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.596634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.596634 (E_RNA) where: Base-Base interactions energy: -126.845 where: short stacking energy: -53.426 Base-Backbone interact. energy: -0.001 local terms energy: -55.751092 where: bonds (distance) C4'-P energy: -7.112 bonds (distance) P-C4' energy: -12.982 flat angles C4'-P-C4' energy: -11.089 flat angles P-C4'-P energy: -9.488 tors. eta vs tors. theta energy: -15.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -174.290016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.290016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.290016 (E_RNA) where: Base-Base interactions energy: -118.121 where: short stacking energy: -48.586 Base-Backbone interact. energy: -0.161 local terms energy: -56.008186 where: bonds (distance) C4'-P energy: -9.609 bonds (distance) P-C4' energy: -13.441 flat angles C4'-P-C4' energy: -9.836 flat angles P-C4'-P energy: -10.649 tors. eta vs tors. theta energy: -12.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -170.471619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.471619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.471619 (E_RNA) where: Base-Base interactions energy: -120.907 where: short stacking energy: -52.054 Base-Backbone interact. energy: 0.104 local terms energy: -49.669485 where: bonds (distance) C4'-P energy: -7.415 bonds (distance) P-C4' energy: -9.488 flat angles C4'-P-C4' energy: -11.362 flat angles P-C4'-P energy: -9.040 tors. eta vs tors. theta energy: -12.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -59.428190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.428190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.428190 (E_RNA) where: Base-Base interactions energy: -25.277 where: short stacking energy: -18.249 Base-Backbone interact. energy: -0.216 local terms energy: -33.935221 where: bonds (distance) C4'-P energy: -8.437 bonds (distance) P-C4' energy: -14.202 flat angles C4'-P-C4' energy: -9.707 flat angles P-C4'-P energy: -7.914 tors. eta vs tors. theta energy: 6.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -69.802073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.802073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.802073 (E_RNA) where: Base-Base interactions energy: -28.616 where: short stacking energy: -28.616 Base-Backbone interact. energy: -0.115 local terms energy: -41.070841 where: bonds (distance) C4'-P energy: -8.916 bonds (distance) P-C4' energy: -10.274 flat angles C4'-P-C4' energy: -10.654 flat angles P-C4'-P energy: -6.360 tors. eta vs tors. theta energy: -4.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -205.576645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.576645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.576645 (E_RNA) where: Base-Base interactions energy: -143.983 where: short stacking energy: -61.361 Base-Backbone interact. energy: -0.001 local terms energy: -61.592768 where: bonds (distance) C4'-P energy: -9.450 bonds (distance) P-C4' energy: -13.166 flat angles C4'-P-C4' energy: -13.525 flat angles P-C4'-P energy: -8.290 tors. eta vs tors. theta energy: -17.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -196.756195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.756195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.756195 (E_RNA) where: Base-Base interactions energy: -134.603 where: short stacking energy: -60.636 Base-Backbone interact. energy: -0.011 local terms energy: -62.142870 where: bonds (distance) C4'-P energy: -11.807 bonds (distance) P-C4' energy: -9.291 flat angles C4'-P-C4' energy: -14.323 flat angles P-C4'-P energy: -10.825 tors. eta vs tors. theta energy: -15.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -193.997263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.997263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.997263 (E_RNA) where: Base-Base interactions energy: -138.271 where: short stacking energy: -58.626 Base-Backbone interact. energy: -0.027 local terms energy: -55.699408 where: bonds (distance) C4'-P energy: -14.116 bonds (distance) P-C4' energy: -13.800 flat angles C4'-P-C4' energy: -12.975 flat angles P-C4'-P energy: -0.503 tors. eta vs tors. theta energy: -14.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -191.019323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.019323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.019323 (E_RNA) where: Base-Base interactions energy: -131.004 where: short stacking energy: -58.566 Base-Backbone interact. energy: -0.003 local terms energy: -60.012248 where: bonds (distance) C4'-P energy: -12.669 bonds (distance) P-C4' energy: -11.796 flat angles C4'-P-C4' energy: -11.285 flat angles P-C4'-P energy: -10.025 tors. eta vs tors. theta energy: -14.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -184.365971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.365971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.365971 (E_RNA) where: Base-Base interactions energy: -125.132 where: short stacking energy: -56.981 Base-Backbone interact. energy: -0.044 local terms energy: -59.189607 where: bonds (distance) C4'-P energy: -10.097 bonds (distance) P-C4' energy: -14.363 flat angles C4'-P-C4' energy: -11.850 flat angles P-C4'-P energy: -8.073 tors. eta vs tors. theta energy: -14.806 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: 265 Temperature: 1.150000 Total energy: -194.820931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.820931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.820931 (E_RNA) where: Base-Base interactions energy: -135.304 where: short stacking energy: -58.205 Base-Backbone interact. energy: -0.002 local terms energy: -59.514911 where: bonds (distance) C4'-P energy: -11.528 bonds (distance) P-C4' energy: -11.711 flat angles C4'-P-C4' energy: -12.584 flat angles P-C4'-P energy: -8.487 tors. eta vs tors. theta energy: -15.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -165.077699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.077699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.077699 (E_RNA) where: Base-Base interactions energy: -116.088 where: short stacking energy: -51.703 Base-Backbone interact. energy: 1.765 local terms energy: -50.754672 where: bonds (distance) C4'-P energy: -4.040 bonds (distance) P-C4' energy: -12.128 flat angles C4'-P-C4' energy: -10.277 flat angles P-C4'-P energy: -9.901 tors. eta vs tors. theta energy: -14.407 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: 10 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -164.801606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.801606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.801606 (E_RNA) where: Base-Base interactions energy: -113.283 where: short stacking energy: -41.580 Base-Backbone interact. energy: -0.022 local terms energy: -51.496535 where: bonds (distance) C4'-P energy: -10.605 bonds (distance) P-C4' energy: -10.311 flat angles C4'-P-C4' energy: -14.616 flat angles P-C4'-P energy: -7.730 tors. eta vs tors. theta energy: -8.234 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: 9, replica: 8 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -76.973644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.973644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.973644 (E_RNA) where: Base-Base interactions energy: -35.825 where: short stacking energy: -34.897 Base-Backbone interact. energy: -0.072 local terms energy: -41.075844 where: bonds (distance) C4'-P energy: -11.657 bonds (distance) P-C4' energy: -10.073 flat angles C4'-P-C4' energy: -9.571 flat angles P-C4'-P energy: -2.528 tors. eta vs tors. theta energy: -7.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -65.242895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.242895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.242895 (E_RNA) where: Base-Base interactions energy: -28.235 where: short stacking energy: -19.334 Base-Backbone interact. energy: -0.174 local terms energy: -36.833353 where: bonds (distance) C4'-P energy: -10.133 bonds (distance) P-C4' energy: -11.677 flat angles C4'-P-C4' energy: -10.835 flat angles P-C4'-P energy: -4.992 tors. eta vs tors. theta energy: 0.804 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: 1 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -205.626662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.626662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.626662 (E_RNA) where: Base-Base interactions energy: -141.649 where: short stacking energy: -59.163 Base-Backbone interact. energy: -0.000 local terms energy: -63.977366 where: bonds (distance) C4'-P energy: -13.090 bonds (distance) P-C4' energy: -13.472 flat angles C4'-P-C4' energy: -14.049 flat angles P-C4'-P energy: -8.917 tors. eta vs tors. theta energy: -14.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -193.826986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.826986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.826986 (E_RNA) where: Base-Base interactions energy: -135.202 where: short stacking energy: -56.661 Base-Backbone interact. energy: -0.009 local terms energy: -58.615927 where: bonds (distance) C4'-P energy: -12.432 bonds (distance) P-C4' energy: -11.304 flat angles C4'-P-C4' energy: -11.738 flat angles P-C4'-P energy: -9.024 tors. eta vs tors. theta energy: -14.118 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: 5 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -191.943525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.943525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.943525 (E_RNA) where: Base-Base interactions energy: -130.722 where: short stacking energy: -52.993 Base-Backbone interact. energy: -0.010 local terms energy: -61.211752 where: bonds (distance) C4'-P energy: -8.970 bonds (distance) P-C4' energy: -14.650 flat angles C4'-P-C4' energy: -14.703 flat angles P-C4'-P energy: -8.533 tors. eta vs tors. theta energy: -14.356 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: 9 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -186.095308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.095308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.095308 (E_RNA) where: Base-Base interactions energy: -128.483 where: short stacking energy: -57.733 Base-Backbone interact. energy: -0.047 local terms energy: -57.565117 where: bonds (distance) C4'-P energy: -10.791 bonds (distance) P-C4' energy: -13.206 flat angles C4'-P-C4' energy: -12.328 flat angles P-C4'-P energy: -8.309 tors. eta vs tors. theta energy: -12.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -186.742992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.742992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.742992 (E_RNA) where: Base-Base interactions energy: -130.565 where: short stacking energy: -54.960 Base-Backbone interact. energy: -0.001 local terms energy: -56.176621 where: bonds (distance) C4'-P energy: -11.349 bonds (distance) P-C4' energy: -12.342 flat angles C4'-P-C4' energy: -9.295 flat angles P-C4'-P energy: -8.623 tors. eta vs tors. theta energy: -14.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -174.245020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.245020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.245020 (E_RNA) where: Base-Base interactions energy: -121.797 where: short stacking energy: -46.391 Base-Backbone interact. energy: -0.067 local terms energy: -52.380684 where: bonds (distance) C4'-P energy: -12.287 bonds (distance) P-C4' energy: -11.781 flat angles C4'-P-C4' energy: -11.883 flat angles P-C4'-P energy: -7.891 tors. eta vs tors. theta energy: -8.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -166.055923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.055923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.055923 (E_RNA) where: Base-Base interactions energy: -117.444 where: short stacking energy: -41.283 Base-Backbone interact. energy: -0.382 local terms energy: -48.229827 where: bonds (distance) C4'-P energy: -9.667 bonds (distance) P-C4' energy: -9.122 flat angles C4'-P-C4' energy: -12.435 flat angles P-C4'-P energy: -10.844 tors. eta vs tors. theta energy: -6.162 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: 10 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -168.277587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.277587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.277587 (E_RNA) where: Base-Base interactions energy: -114.798 where: short stacking energy: -50.117 Base-Backbone interact. energy: -0.483 local terms energy: -52.996003 where: bonds (distance) C4'-P energy: -11.560 bonds (distance) P-C4' energy: -12.567 flat angles C4'-P-C4' energy: -9.949 flat angles P-C4'-P energy: -6.717 tors. eta vs tors. theta energy: -12.204 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: 3 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -66.865682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.865682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.865682 (E_RNA) where: Base-Base interactions energy: -25.624 where: short stacking energy: -25.624 Base-Backbone interact. energy: -0.257 local terms energy: -40.984457 where: bonds (distance) C4'-P energy: -5.575 bonds (distance) P-C4' energy: -15.094 flat angles C4'-P-C4' energy: -11.667 flat angles P-C4'-P energy: -5.297 tors. eta vs tors. theta energy: -3.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -56.935701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.935701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.935701 (E_RNA) where: Base-Base interactions energy: -16.752 where: short stacking energy: -16.752 Base-Backbone interact. energy: -0.119 local terms energy: -40.064534 where: bonds (distance) C4'-P energy: -8.714 bonds (distance) P-C4' energy: -11.733 flat angles C4'-P-C4' energy: -12.743 flat angles P-C4'-P energy: -4.921 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: 267 Temperature: 0.900000 Total energy: -204.202135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.202135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.202135 (E_RNA) where: Base-Base interactions energy: -139.841 where: short stacking energy: -61.007 Base-Backbone interact. energy: -0.015 local terms energy: -64.346450 where: bonds (distance) C4'-P energy: -13.801 bonds (distance) P-C4' energy: -12.603 flat angles C4'-P-C4' energy: -15.313 flat angles P-C4'-P energy: -8.440 tors. eta vs tors. theta energy: -14.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -191.916271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.916271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.916271 (E_RNA) where: Base-Base interactions energy: -135.118 where: short stacking energy: -57.290 Base-Backbone interact. energy: -0.635 local terms energy: -56.164154 where: bonds (distance) C4'-P energy: -9.207 bonds (distance) P-C4' energy: -10.819 flat angles C4'-P-C4' energy: -14.928 flat angles P-C4'-P energy: -7.281 tors. eta vs tors. theta energy: -13.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -193.692819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.692819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.692819 (E_RNA) where: Base-Base interactions energy: -132.528 where: short stacking energy: -54.860 Base-Backbone interact. energy: -0.107 local terms energy: -61.057678 where: bonds (distance) C4'-P energy: -9.889 bonds (distance) P-C4' energy: -11.027 flat angles C4'-P-C4' energy: -14.532 flat angles P-C4'-P energy: -9.712 tors. eta vs tors. theta energy: -15.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -188.085175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.085175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.085175 (E_RNA) where: Base-Base interactions energy: -126.985 where: short stacking energy: -52.116 Base-Backbone interact. energy: -0.003 local terms energy: -61.097072 where: bonds (distance) C4'-P energy: -12.014 bonds (distance) P-C4' energy: -12.025 flat angles C4'-P-C4' energy: -11.526 flat angles P-C4'-P energy: -9.390 tors. eta vs tors. theta energy: -16.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -195.065903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.065903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.065903 (E_RNA) where: Base-Base interactions energy: -136.996 where: short stacking energy: -58.648 Base-Backbone interact. energy: -0.005 local terms energy: -58.064944 where: bonds (distance) C4'-P energy: -7.414 bonds (distance) P-C4' energy: -14.163 flat angles C4'-P-C4' energy: -12.970 flat angles P-C4'-P energy: -7.313 tors. eta vs tors. theta energy: -16.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -177.048994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.048994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.048994 (E_RNA) where: Base-Base interactions energy: -120.969 where: short stacking energy: -45.962 Base-Backbone interact. energy: -0.583 local terms energy: -55.496483 where: bonds (distance) C4'-P energy: -6.101 bonds (distance) P-C4' energy: -14.220 flat angles C4'-P-C4' energy: -13.895 flat angles P-C4'-P energy: -8.825 tors. eta vs tors. theta energy: -12.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -178.086709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.086709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.086709 (E_RNA) where: Base-Base interactions energy: -121.210 where: short stacking energy: -48.399 Base-Backbone interact. energy: -0.426 local terms energy: -56.451518 where: bonds (distance) C4'-P energy: -9.695 bonds (distance) P-C4' energy: -11.193 flat angles C4'-P-C4' energy: -11.699 flat angles P-C4'-P energy: -7.446 tors. eta vs tors. theta energy: -16.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -164.012076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.012076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.012076 (E_RNA) where: Base-Base interactions energy: -111.831 where: short stacking energy: -48.479 Base-Backbone interact. energy: -0.127 local terms energy: -52.054297 where: bonds (distance) C4'-P energy: -10.543 bonds (distance) P-C4' energy: -9.621 flat angles C4'-P-C4' energy: -13.732 flat angles P-C4'-P energy: -5.803 tors. eta vs tors. theta energy: -12.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -73.911472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.911472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.911472 (E_RNA) where: Base-Base interactions energy: -34.185 where: short stacking energy: -34.185 Base-Backbone interact. energy: 0.475 local terms energy: -40.202072 where: bonds (distance) C4'-P energy: -10.788 bonds (distance) P-C4' energy: -9.423 flat angles C4'-P-C4' energy: -11.385 flat angles P-C4'-P energy: -2.451 tors. eta vs tors. theta energy: -6.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -70.721629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.721629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.721629 (E_RNA) where: Base-Base interactions energy: -26.564 where: short stacking energy: -26.150 Base-Backbone interact. energy: -0.161 local terms energy: -43.996650 where: bonds (distance) C4'-P energy: -9.012 bonds (distance) P-C4' energy: -11.009 flat angles C4'-P-C4' energy: -11.345 flat angles P-C4'-P energy: -6.132 tors. eta vs tors. theta energy: -6.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -203.794486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.794486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.794486 (E_RNA) where: Base-Base interactions energy: -140.111 where: short stacking energy: -57.988 Base-Backbone interact. energy: -0.851 local terms energy: -62.832883 where: bonds (distance) C4'-P energy: -12.005 bonds (distance) P-C4' energy: -11.718 flat angles C4'-P-C4' energy: -14.293 flat angles P-C4'-P energy: -9.285 tors. eta vs tors. theta energy: -15.532 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: 268 Temperature: 0.950000 Total energy: -196.097812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.097812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.097812 (E_RNA) where: Base-Base interactions energy: -133.022 where: short stacking energy: -53.224 Base-Backbone interact. energy: -0.004 local terms energy: -63.072754 where: bonds (distance) C4'-P energy: -12.281 bonds (distance) P-C4' energy: -13.730 flat angles C4'-P-C4' energy: -12.080 flat angles P-C4'-P energy: -9.485 tors. eta vs tors. theta energy: -15.497 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: 3, replica: 5 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -188.529697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.529697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.529697 (E_RNA) where: Base-Base interactions energy: -129.020 where: short stacking energy: -56.641 Base-Backbone interact. energy: 1.335 local terms energy: -60.845065 where: bonds (distance) C4'-P energy: -11.169 bonds (distance) P-C4' energy: -12.662 flat angles C4'-P-C4' energy: -14.860 flat angles P-C4'-P energy: -6.812 tors. eta vs tors. theta energy: -15.341 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: 6 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -193.688880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.688880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.688880 (E_RNA) where: Base-Base interactions energy: -137.079 where: short stacking energy: -54.724 Base-Backbone interact. energy: -0.007 local terms energy: -56.602941 where: bonds (distance) C4'-P energy: -6.494 bonds (distance) P-C4' energy: -10.322 flat angles C4'-P-C4' energy: -14.576 flat angles P-C4'-P energy: -8.888 tors. eta vs tors. theta energy: -16.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -182.396833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.396833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.396833 (E_RNA) where: Base-Base interactions energy: -120.949 where: short stacking energy: -58.805 Base-Backbone interact. energy: -0.077 local terms energy: -61.371212 where: bonds (distance) C4'-P energy: -11.502 bonds (distance) P-C4' energy: -12.157 flat angles C4'-P-C4' energy: -12.231 flat angles P-C4'-P energy: -7.928 tors. eta vs tors. theta energy: -17.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -194.029715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.029715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.029715 (E_RNA) where: Base-Base interactions energy: -131.063 where: short stacking energy: -53.202 Base-Backbone interact. energy: -0.004 local terms energy: -62.961933 where: bonds (distance) C4'-P energy: -12.803 bonds (distance) P-C4' energy: -11.962 flat angles C4'-P-C4' energy: -12.694 flat angles P-C4'-P energy: -8.008 tors. eta vs tors. theta energy: -17.495 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: 10 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -178.878522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.878522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.878522 (E_RNA) where: Base-Base interactions energy: -120.063 where: short stacking energy: -45.858 Base-Backbone interact. energy: -0.785 local terms energy: -58.030817 where: bonds (distance) C4'-P energy: -11.739 bonds (distance) P-C4' energy: -13.402 flat angles C4'-P-C4' energy: -11.904 flat angles P-C4'-P energy: -6.827 tors. eta vs tors. theta energy: -14.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -163.612620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.612620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.612620 (E_RNA) where: Base-Base interactions energy: -111.069 where: short stacking energy: -44.039 Base-Backbone interact. energy: -0.110 local terms energy: -52.434235 where: bonds (distance) C4'-P energy: -10.150 bonds (distance) P-C4' energy: -11.288 flat angles C4'-P-C4' energy: -12.393 flat angles P-C4'-P energy: -7.153 tors. eta vs tors. theta energy: -11.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -70.047496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.047496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.047496 (E_RNA) where: Base-Base interactions energy: -32.374 where: short stacking energy: -23.517 Base-Backbone interact. energy: -0.276 local terms energy: -37.397624 where: bonds (distance) C4'-P energy: -7.330 bonds (distance) P-C4' energy: -11.282 flat angles C4'-P-C4' energy: -10.193 flat angles P-C4'-P energy: -9.130 tors. eta vs tors. theta energy: 0.537 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: 3 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -65.938521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.938521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.938521 (E_RNA) where: Base-Base interactions energy: -29.303 where: short stacking energy: -15.303 Base-Backbone interact. energy: -0.322 local terms energy: -36.313426 where: bonds (distance) C4'-P energy: -11.773 bonds (distance) P-C4' energy: -9.588 flat angles C4'-P-C4' energy: -7.511 flat angles P-C4'-P energy: -7.149 tors. eta vs tors. theta energy: -0.292 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: 2 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -199.926018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.926018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.926018 (E_RNA) where: Base-Base interactions energy: -131.693 where: short stacking energy: -52.745 Base-Backbone interact. energy: -0.621 local terms energy: -67.611825 where: bonds (distance) C4'-P energy: -11.417 bonds (distance) P-C4' energy: -14.839 flat angles C4'-P-C4' energy: -15.790 flat angles P-C4'-P energy: -8.621 tors. eta vs tors. theta energy: -16.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -198.718815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.718815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.718815 (E_RNA) where: Base-Base interactions energy: -134.218 where: short stacking energy: -57.010 Base-Backbone interact. energy: 1.299 local terms energy: -65.799262 where: bonds (distance) C4'-P energy: -11.802 bonds (distance) P-C4' energy: -12.454 flat angles C4'-P-C4' energy: -14.799 flat angles P-C4'-P energy: -12.890 tors. eta vs tors. theta energy: -13.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -199.303264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.303264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.303264 (E_RNA) where: Base-Base interactions energy: -137.136 where: short stacking energy: -56.512 Base-Backbone interact. energy: -0.001 local terms energy: -62.166553 where: bonds (distance) C4'-P energy: -13.583 bonds (distance) P-C4' energy: -9.712 flat angles C4'-P-C4' energy: -14.174 flat angles P-C4'-P energy: -9.183 tors. eta vs tors. theta energy: -15.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -189.759585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.759585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.759585 (E_RNA) where: Base-Base interactions energy: -125.867 where: short stacking energy: -50.144 Base-Backbone interact. energy: -0.238 local terms energy: -63.653973 where: bonds (distance) C4'-P energy: -12.228 bonds (distance) P-C4' energy: -14.131 flat angles C4'-P-C4' energy: -12.638 flat angles P-C4'-P energy: -9.794 tors. eta vs tors. theta energy: -14.863 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: 6 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -190.963856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.963856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.963856 (E_RNA) where: Base-Base interactions energy: -131.568 where: short stacking energy: -52.480 Base-Backbone interact. energy: -0.026 local terms energy: -59.370547 where: bonds (distance) C4'-P energy: -9.635 bonds (distance) P-C4' energy: -14.177 flat angles C4'-P-C4' energy: -11.102 flat angles P-C4'-P energy: -7.209 tors. eta vs tors. theta energy: -17.246 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: 10 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -180.014523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.014523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.014523 (E_RNA) where: Base-Base interactions energy: -122.753 where: short stacking energy: -49.172 Base-Backbone interact. energy: -0.468 local terms energy: -56.793554 where: bonds (distance) C4'-P energy: -11.434 bonds (distance) P-C4' energy: -13.377 flat angles C4'-P-C4' energy: -11.615 flat angles P-C4'-P energy: -8.484 tors. eta vs tors. theta energy: -11.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -193.201039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.201039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.201039 (E_RNA) where: Base-Base interactions energy: -127.862 where: short stacking energy: -58.086 Base-Backbone interact. energy: -0.012 local terms energy: -65.326619 where: bonds (distance) C4'-P energy: -11.699 bonds (distance) P-C4' energy: -10.592 flat angles C4'-P-C4' energy: -14.660 flat angles P-C4'-P energy: -11.194 tors. eta vs tors. theta energy: -17.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -165.198245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.198245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.198245 (E_RNA) where: Base-Base interactions energy: -116.542 where: short stacking energy: -48.068 Base-Backbone interact. energy: -0.002 local terms energy: -48.654707 where: bonds (distance) C4'-P energy: -11.230 bonds (distance) P-C4' energy: -12.877 flat angles C4'-P-C4' energy: -8.418 flat angles P-C4'-P energy: -5.192 tors. eta vs tors. theta energy: -10.937 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: 8 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -90.084509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.084509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.084509 (E_RNA) where: Base-Base interactions energy: -43.515 where: short stacking energy: -25.896 Base-Backbone interact. energy: -0.308 local terms energy: -46.261147 where: bonds (distance) C4'-P energy: -13.914 bonds (distance) P-C4' energy: -10.439 flat angles C4'-P-C4' energy: -11.695 flat angles P-C4'-P energy: -6.090 tors. eta vs tors. theta energy: -4.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -64.455143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.455143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.455143 (E_RNA) where: Base-Base interactions energy: -20.176 where: short stacking energy: -20.176 Base-Backbone interact. energy: -0.184 local terms energy: -44.095818 where: bonds (distance) C4'-P energy: -9.906 bonds (distance) P-C4' energy: -12.159 flat angles C4'-P-C4' energy: -10.408 flat angles P-C4'-P energy: -9.277 tors. eta vs tors. theta energy: -2.346 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: 5 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -208.656401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.656401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.656401 (E_RNA) where: Base-Base interactions energy: -143.711 where: short stacking energy: -58.896 Base-Backbone interact. energy: -0.312 local terms energy: -64.634027 where: bonds (distance) C4'-P energy: -11.811 bonds (distance) P-C4' energy: -13.889 flat angles C4'-P-C4' energy: -14.165 flat angles P-C4'-P energy: -6.535 tors. eta vs tors. theta energy: -18.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -190.689096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.689096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.689096 (E_RNA) where: Base-Base interactions energy: -129.028 where: short stacking energy: -57.923 Base-Backbone interact. energy: -0.045 local terms energy: -61.615864 where: bonds (distance) C4'-P energy: -11.223 bonds (distance) P-C4' energy: -13.708 flat angles C4'-P-C4' energy: -12.197 flat angles P-C4'-P energy: -11.745 tors. eta vs tors. theta energy: -12.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -198.741274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.741274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.741274 (E_RNA) where: Base-Base interactions energy: -141.216 where: short stacking energy: -61.487 Base-Backbone interact. energy: -0.000 local terms energy: -57.524696 where: bonds (distance) C4'-P energy: -12.687 bonds (distance) P-C4' energy: -10.110 flat angles C4'-P-C4' energy: -12.586 flat angles P-C4'-P energy: -5.345 tors. eta vs tors. theta energy: -16.796 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: 1 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -198.343797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.343797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.343797 (E_RNA) where: Base-Base interactions energy: -134.124 where: short stacking energy: -59.420 Base-Backbone interact. energy: 0.339 local terms energy: -64.558396 where: bonds (distance) C4'-P energy: -12.519 bonds (distance) P-C4' energy: -14.177 flat angles C4'-P-C4' energy: -14.406 flat angles P-C4'-P energy: -8.642 tors. eta vs tors. theta energy: -14.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -194.168946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.168946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.168946 (E_RNA) where: Base-Base interactions energy: -127.219 where: short stacking energy: -55.971 Base-Backbone interact. energy: -0.001 local terms energy: -66.948703 where: bonds (distance) C4'-P energy: -13.019 bonds (distance) P-C4' energy: -14.174 flat angles C4'-P-C4' energy: -12.797 flat angles P-C4'-P energy: -11.972 tors. eta vs tors. theta energy: -14.987 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: 10 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -175.732606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.732606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.732606 (E_RNA) where: Base-Base interactions energy: -117.739 where: short stacking energy: -51.608 Base-Backbone interact. energy: -0.329 local terms energy: -57.664816 where: bonds (distance) C4'-P energy: -13.842 bonds (distance) P-C4' energy: -10.138 flat angles C4'-P-C4' energy: -11.603 flat angles P-C4'-P energy: -8.933 tors. eta vs tors. theta energy: -13.148 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: 9 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -170.715743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.715743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.715743 (E_RNA) where: Base-Base interactions energy: -117.543 where: short stacking energy: -52.190 Base-Backbone interact. energy: -0.148 local terms energy: -53.024860 where: bonds (distance) C4'-P energy: -8.895 bonds (distance) P-C4' energy: -11.435 flat angles C4'-P-C4' energy: -11.410 flat angles P-C4'-P energy: -7.534 tors. eta vs tors. theta energy: -13.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -183.305224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.305224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.305224 (E_RNA) where: Base-Base interactions energy: -132.065 where: short stacking energy: -53.021 Base-Backbone interact. energy: -0.031 local terms energy: -51.209447 where: bonds (distance) C4'-P energy: -8.633 bonds (distance) P-C4' energy: -14.042 flat angles C4'-P-C4' energy: -9.400 flat angles P-C4'-P energy: -7.076 tors. eta vs tors. theta energy: -12.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -64.832649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.832649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.832649 (E_RNA) where: Base-Base interactions energy: -18.627 where: short stacking energy: -15.866 Base-Backbone interact. energy: -0.257 local terms energy: -45.948565 where: bonds (distance) C4'-P energy: -10.829 bonds (distance) P-C4' energy: -12.444 flat angles C4'-P-C4' energy: -9.542 flat angles P-C4'-P energy: -9.428 tors. eta vs tors. theta energy: -3.705 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: 8 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -63.399248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.399248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.399248 (E_RNA) where: Base-Base interactions energy: -21.246 where: short stacking energy: -20.327 Base-Backbone interact. energy: -0.033 local terms energy: -42.120329 where: bonds (distance) C4'-P energy: -11.732 bonds (distance) P-C4' energy: -10.626 flat angles C4'-P-C4' energy: -11.707 flat angles P-C4'-P energy: -1.054 tors. eta vs tors. theta energy: -7.001 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: 5 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -203.371925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.371925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.371925 (E_RNA) where: Base-Base interactions energy: -140.574 where: short stacking energy: -62.447 Base-Backbone interact. energy: -0.078 local terms energy: -62.719571 where: bonds (distance) C4'-P energy: -11.331 bonds (distance) P-C4' energy: -12.116 flat angles C4'-P-C4' energy: -14.623 flat angles P-C4'-P energy: -6.605 tors. eta vs tors. theta energy: -18.044 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: 7 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -197.938428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.938428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.938428 (E_RNA) where: Base-Base interactions energy: -139.478 where: short stacking energy: -57.987 Base-Backbone interact. energy: -0.047 local terms energy: -58.413389 where: bonds (distance) C4'-P energy: -11.745 bonds (distance) P-C4' energy: -12.831 flat angles C4'-P-C4' energy: -9.381 flat angles P-C4'-P energy: -8.781 tors. eta vs tors. theta energy: -15.676 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: 2 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -200.694597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.694597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.694597 (E_RNA) where: Base-Base interactions energy: -137.267 where: short stacking energy: -52.258 Base-Backbone interact. energy: -0.077 local terms energy: -63.350546 where: bonds (distance) C4'-P energy: -13.194 bonds (distance) P-C4' energy: -13.427 flat angles C4'-P-C4' energy: -15.150 flat angles P-C4'-P energy: -5.534 tors. eta vs tors. theta energy: -16.046 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: 6 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -192.922041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.922041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.922041 (E_RNA) where: Base-Base interactions energy: -135.574 where: short stacking energy: -55.401 Base-Backbone interact. energy: -0.288 local terms energy: -57.059963 where: bonds (distance) C4'-P energy: -12.581 bonds (distance) P-C4' energy: -11.620 flat angles C4'-P-C4' energy: -11.146 flat angles P-C4'-P energy: -7.448 tors. eta vs tors. theta energy: -14.265 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: 5, replica: 1 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -186.506649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.506649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.506649 (E_RNA) where: Base-Base interactions energy: -129.793 where: short stacking energy: -49.435 Base-Backbone interact. energy: -0.011 local terms energy: -56.702797 where: bonds (distance) C4'-P energy: -11.454 bonds (distance) P-C4' energy: -11.932 flat angles C4'-P-C4' energy: -12.033 flat angles P-C4'-P energy: -8.515 tors. eta vs tors. theta energy: -12.768 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: 9 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -189.779806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.779806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.779806 (E_RNA) where: Base-Base interactions energy: -132.056 where: short stacking energy: -51.789 Base-Backbone interact. energy: -0.004 local terms energy: -57.719689 where: bonds (distance) C4'-P energy: -10.734 bonds (distance) P-C4' energy: -10.411 flat angles C4'-P-C4' energy: -9.068 flat angles P-C4'-P energy: -10.681 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: 7, replica: 10 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -172.595489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.595489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.595489 (E_RNA) where: Base-Base interactions energy: -117.790 where: short stacking energy: -47.995 Base-Backbone interact. energy: 0.676 local terms energy: -55.481826 where: bonds (distance) C4'-P energy: -9.116 bonds (distance) P-C4' energy: -12.560 flat angles C4'-P-C4' energy: -13.882 flat angles P-C4'-P energy: -8.740 tors. eta vs tors. theta energy: -11.184 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: 8, replica: 4 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -158.113257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.113257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.113257 (E_RNA) where: Base-Base interactions energy: -114.675 where: short stacking energy: -49.486 Base-Backbone interact. energy: -0.018 local terms energy: -43.420149 where: bonds (distance) C4'-P energy: -8.331 bonds (distance) P-C4' energy: -8.326 flat angles C4'-P-C4' energy: -8.826 flat angles P-C4'-P energy: -4.777 tors. eta vs tors. theta energy: -13.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -67.271184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.271184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.271184 (E_RNA) where: Base-Base interactions energy: -32.923 where: short stacking energy: -32.923 Base-Backbone interact. energy: -0.018 local terms energy: -34.329619 where: bonds (distance) C4'-P energy: -8.672 bonds (distance) P-C4' energy: -8.495 flat angles C4'-P-C4' energy: -7.091 flat angles P-C4'-P energy: -4.219 tors. eta vs tors. theta energy: -5.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -61.856871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.856871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.856871 (E_RNA) where: Base-Base interactions energy: -23.135 where: short stacking energy: -25.147 Base-Backbone interact. energy: -0.293 local terms energy: -38.429190 where: bonds (distance) C4'-P energy: -10.614 bonds (distance) P-C4' energy: -11.702 flat angles C4'-P-C4' energy: -9.335 flat angles P-C4'-P energy: -1.936 tors. eta vs tors. theta energy: -4.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -207.536053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.536053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.536053 (E_RNA) where: Base-Base interactions energy: -142.998 where: short stacking energy: -60.070 Base-Backbone interact. energy: -0.000 local terms energy: -64.537851 where: bonds (distance) C4'-P energy: -12.517 bonds (distance) P-C4' energy: -12.742 flat angles C4'-P-C4' energy: -13.674 flat angles P-C4'-P energy: -10.509 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: 2, replica: 5 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -205.673298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.673298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.673298 (E_RNA) where: Base-Base interactions energy: -144.249 where: short stacking energy: -63.289 Base-Backbone interact. energy: -0.005 local terms energy: -61.419645 where: bonds (distance) C4'-P energy: -14.120 bonds (distance) P-C4' energy: -11.940 flat angles C4'-P-C4' energy: -14.610 flat angles P-C4'-P energy: -5.039 tors. eta vs tors. theta energy: -15.711 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: 2 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -199.632721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.632721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.632721 (E_RNA) where: Base-Base interactions energy: -131.956 where: short stacking energy: -53.401 Base-Backbone interact. energy: -0.574 local terms energy: -67.102140 where: bonds (distance) C4'-P energy: -14.645 bonds (distance) P-C4' energy: -14.606 flat angles C4'-P-C4' energy: -13.237 flat angles P-C4'-P energy: -10.311 tors. eta vs tors. theta energy: -14.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -187.333868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.333868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.333868 (E_RNA) where: Base-Base interactions energy: -133.228 where: short stacking energy: -48.288 Base-Backbone interact. energy: -0.286 local terms energy: -53.819912 where: bonds (distance) C4'-P energy: -9.786 bonds (distance) P-C4' energy: -12.874 flat angles C4'-P-C4' energy: -10.832 flat angles P-C4'-P energy: -8.409 tors. eta vs tors. theta energy: -11.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -181.662071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.662071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.662071 (E_RNA) where: Base-Base interactions energy: -125.238 where: short stacking energy: -49.326 Base-Backbone interact. energy: -0.097 local terms energy: -56.326820 where: bonds (distance) C4'-P energy: -9.939 bonds (distance) P-C4' energy: -13.218 flat angles C4'-P-C4' energy: -11.719 flat angles P-C4'-P energy: -8.086 tors. eta vs tors. theta energy: -13.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -184.579285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.579285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.579285 (E_RNA) where: Base-Base interactions energy: -122.543 where: short stacking energy: -49.496 Base-Backbone interact. energy: -0.923 local terms energy: -61.113093 where: bonds (distance) C4'-P energy: -13.744 bonds (distance) P-C4' energy: -12.377 flat angles C4'-P-C4' energy: -13.658 flat angles P-C4'-P energy: -8.041 tors. eta vs tors. theta energy: -13.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -162.994019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.994019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.994019 (E_RNA) where: Base-Base interactions energy: -108.241 where: short stacking energy: -44.081 Base-Backbone interact. energy: -0.103 local terms energy: -54.649701 where: bonds (distance) C4'-P energy: -11.979 bonds (distance) P-C4' energy: -10.392 flat angles C4'-P-C4' energy: -14.090 flat angles P-C4'-P energy: -8.887 tors. eta vs tors. theta energy: -9.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -181.228919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.228919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.228919 (E_RNA) where: Base-Base interactions energy: -128.615 where: short stacking energy: -57.863 Base-Backbone interact. energy: -0.767 local terms energy: -51.847423 where: bonds (distance) C4'-P energy: -9.848 bonds (distance) P-C4' energy: -11.944 flat angles C4'-P-C4' energy: -7.569 flat angles P-C4'-P energy: -9.845 tors. eta vs tors. theta energy: -12.641 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: 8 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -69.971220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.971220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.971220 (E_RNA) where: Base-Base interactions energy: -35.688 where: short stacking energy: -23.937 Base-Backbone interact. energy: -0.560 local terms energy: -33.723211 where: bonds (distance) C4'-P energy: -12.526 bonds (distance) P-C4' energy: -6.081 flat angles C4'-P-C4' energy: -6.834 flat angles P-C4'-P energy: -7.324 tors. eta vs tors. theta energy: -0.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -64.618148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.618148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.618148 (E_RNA) where: Base-Base interactions energy: -25.643 where: short stacking energy: -21.114 Base-Backbone interact. energy: -0.312 local terms energy: -38.663320 where: bonds (distance) C4'-P energy: -10.228 bonds (distance) P-C4' energy: -8.848 flat angles C4'-P-C4' energy: -12.043 flat angles P-C4'-P energy: -7.412 tors. eta vs tors. theta energy: -0.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -200.984150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.984150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.984150 (E_RNA) where: Base-Base interactions energy: -138.428 where: short stacking energy: -57.506 Base-Backbone interact. energy: -0.012 local terms energy: -62.544298 where: bonds (distance) C4'-P energy: -11.059 bonds (distance) P-C4' energy: -11.833 flat angles C4'-P-C4' energy: -13.553 flat angles P-C4'-P energy: -8.883 tors. eta vs tors. theta energy: -17.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -195.683747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.683747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.683747 (E_RNA) where: Base-Base interactions energy: -129.173 where: short stacking energy: -60.608 Base-Backbone interact. energy: -0.031 local terms energy: -66.479958 where: bonds (distance) C4'-P energy: -13.330 bonds (distance) P-C4' energy: -10.823 flat angles C4'-P-C4' energy: -13.061 flat angles P-C4'-P energy: -12.139 tors. eta vs tors. theta energy: -17.127 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: 273 Temperature: 1.000000 Total energy: -194.640417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.640417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.640417 (E_RNA) where: Base-Base interactions energy: -134.413 where: short stacking energy: -58.415 Base-Backbone interact. energy: -0.575 local terms energy: -59.652048 where: bonds (distance) C4'-P energy: -9.413 bonds (distance) P-C4' energy: -14.152 flat angles C4'-P-C4' energy: -13.158 flat angles P-C4'-P energy: -5.176 tors. eta vs tors. theta energy: -17.752 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: 273 Temperature: 1.050000 Total energy: -192.549640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.549640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.549640 (E_RNA) where: Base-Base interactions energy: -135.840 where: short stacking energy: -55.423 Base-Backbone interact. energy: -0.045 local terms energy: -56.664635 where: bonds (distance) C4'-P energy: -13.168 bonds (distance) P-C4' energy: -11.857 flat angles C4'-P-C4' energy: -12.155 flat angles P-C4'-P energy: -4.137 tors. eta vs tors. theta energy: -15.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -189.815662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.815662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.815662 (E_RNA) where: Base-Base interactions energy: -136.762 where: short stacking energy: -47.042 Base-Backbone interact. energy: -0.207 local terms energy: -52.846660 where: bonds (distance) C4'-P energy: -12.577 bonds (distance) P-C4' energy: -11.113 flat angles C4'-P-C4' energy: -10.589 flat angles P-C4'-P energy: -7.958 tors. eta vs tors. theta energy: -10.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -172.229101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.229101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.229101 (E_RNA) where: Base-Base interactions energy: -119.403 where: short stacking energy: -53.535 Base-Backbone interact. energy: -0.003 local terms energy: -52.823102 where: bonds (distance) C4'-P energy: -14.054 bonds (distance) P-C4' energy: -9.024 flat angles C4'-P-C4' energy: -12.202 flat angles P-C4'-P energy: -6.002 tors. eta vs tors. theta energy: -11.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -174.725835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.725835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.725835 (E_RNA) where: Base-Base interactions energy: -119.282 where: short stacking energy: -44.369 Base-Backbone interact. energy: -0.082 local terms energy: -55.361614 where: bonds (distance) C4'-P energy: -10.150 bonds (distance) P-C4' energy: -11.904 flat angles C4'-P-C4' energy: -13.063 flat angles P-C4'-P energy: -8.990 tors. eta vs tors. theta energy: -11.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -181.770434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.770434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.770434 (E_RNA) where: Base-Base interactions energy: -128.102 where: short stacking energy: -49.732 Base-Backbone interact. energy: -0.007 local terms energy: -53.660907 where: bonds (distance) C4'-P energy: -10.929 bonds (distance) P-C4' energy: -13.272 flat angles C4'-P-C4' energy: -10.983 flat angles P-C4'-P energy: -3.971 tors. eta vs tors. theta energy: -14.505 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: 9, replica: 8 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -70.642974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.642974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.642974 (E_RNA) where: Base-Base interactions energy: -27.834 where: short stacking energy: -24.137 Base-Backbone interact. energy: -0.007 local terms energy: -42.802512 where: bonds (distance) C4'-P energy: -7.820 bonds (distance) P-C4' energy: -13.644 flat angles C4'-P-C4' energy: -9.652 flat angles P-C4'-P energy: -5.228 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: 3 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -56.249220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.249220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.249220 (E_RNA) where: Base-Base interactions energy: -8.110 where: short stacking energy: -7.562 Base-Backbone interact. energy: -0.070 local terms energy: -48.069011 where: bonds (distance) C4'-P energy: -11.736 bonds (distance) P-C4' energy: -13.532 flat angles C4'-P-C4' energy: -12.668 flat angles P-C4'-P energy: -10.914 tors. eta vs tors. theta energy: 0.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -203.342310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.342310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.342310 (E_RNA) where: Base-Base interactions energy: -141.169 where: short stacking energy: -60.508 Base-Backbone interact. energy: -0.003 local terms energy: -62.170378 where: bonds (distance) C4'-P energy: -13.362 bonds (distance) P-C4' energy: -10.672 flat angles C4'-P-C4' energy: -13.756 flat angles P-C4'-P energy: -7.384 tors. eta vs tors. theta energy: -16.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -204.137589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.137589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.137589 (E_RNA) where: Base-Base interactions energy: -142.258 where: short stacking energy: -56.816 Base-Backbone interact. energy: -0.001 local terms energy: -61.878246 where: bonds (distance) C4'-P energy: -13.797 bonds (distance) P-C4' energy: -13.762 flat angles C4'-P-C4' energy: -10.848 flat angles P-C4'-P energy: -6.551 tors. eta vs tors. theta energy: -16.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -192.002447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.002447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.002447 (E_RNA) where: Base-Base interactions energy: -133.941 where: short stacking energy: -49.738 Base-Backbone interact. energy: -0.021 local terms energy: -58.039806 where: bonds (distance) C4'-P energy: -9.916 bonds (distance) P-C4' energy: -11.750 flat angles C4'-P-C4' energy: -11.976 flat angles P-C4'-P energy: -9.993 tors. eta vs tors. theta energy: -14.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -196.118387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.118387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.118387 (E_RNA) where: Base-Base interactions energy: -135.592 where: short stacking energy: -57.605 Base-Backbone interact. energy: -0.009 local terms energy: -60.517821 where: bonds (distance) C4'-P energy: -13.416 bonds (distance) P-C4' energy: -13.357 flat angles C4'-P-C4' energy: -10.193 flat angles P-C4'-P energy: -6.216 tors. eta vs tors. theta energy: -17.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -185.393676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.393676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.393676 (E_RNA) where: Base-Base interactions energy: -131.366 where: short stacking energy: -53.052 Base-Backbone interact. energy: -0.725 local terms energy: -53.302846 where: bonds (distance) C4'-P energy: -10.936 bonds (distance) P-C4' energy: -12.381 flat angles C4'-P-C4' energy: -12.138 flat angles P-C4'-P energy: -8.681 tors. eta vs tors. theta energy: -9.166 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: 274 Temperature: 1.150000 Total energy: -185.425309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.425309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.425309 (E_RNA) where: Base-Base interactions energy: -127.960 where: short stacking energy: -52.190 Base-Backbone interact. energy: -0.152 local terms energy: -57.313678 where: bonds (distance) C4'-P energy: -13.064 bonds (distance) P-C4' energy: -14.453 flat angles C4'-P-C4' energy: -9.589 flat angles P-C4'-P energy: -7.924 tors. eta vs tors. theta energy: -12.284 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: 4 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -169.002940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.002940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.002940 (E_RNA) where: Base-Base interactions energy: -122.142 where: short stacking energy: -46.680 Base-Backbone interact. energy: -0.195 local terms energy: -46.666557 where: bonds (distance) C4'-P energy: -9.761 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -11.730 flat angles P-C4'-P energy: -8.695 tors. eta vs tors. theta energy: -11.811 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: 1 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -169.364412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.364412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.364412 (E_RNA) where: Base-Base interactions energy: -115.646 where: short stacking energy: -46.997 Base-Backbone interact. energy: 1.053 local terms energy: -54.771356 where: bonds (distance) C4'-P energy: -13.540 bonds (distance) P-C4' energy: -10.751 flat angles C4'-P-C4' energy: -11.555 flat angles P-C4'-P energy: -4.683 tors. eta vs tors. theta energy: -14.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -65.609105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.609105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.609105 (E_RNA) where: Base-Base interactions energy: -25.901 where: short stacking energy: -5.998 Base-Backbone interact. energy: -0.421 local terms energy: -39.286259 where: bonds (distance) C4'-P energy: -12.385 bonds (distance) P-C4' energy: -9.672 flat angles C4'-P-C4' energy: -13.845 flat angles P-C4'-P energy: -9.164 tors. eta vs tors. theta energy: 5.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -56.944413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.944413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.944413 (E_RNA) where: Base-Base interactions energy: -19.518 where: short stacking energy: -16.357 Base-Backbone interact. energy: 0.270 local terms energy: -37.696334 where: bonds (distance) C4'-P energy: -8.586 bonds (distance) P-C4' energy: -11.647 flat angles C4'-P-C4' energy: -8.144 flat angles P-C4'-P energy: -8.320 tors. eta vs tors. theta energy: -0.999 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: 1, replica: 7 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -204.689871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.689871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.689871 (E_RNA) where: Base-Base interactions energy: -138.193 where: short stacking energy: -60.421 Base-Backbone interact. energy: -0.099 local terms energy: -66.397642 where: bonds (distance) C4'-P energy: -13.602 bonds (distance) P-C4' energy: -13.628 flat angles C4'-P-C4' energy: -13.368 flat angles P-C4'-P energy: -7.959 tors. eta vs tors. theta energy: -17.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -206.116876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.116876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.116876 (E_RNA) where: Base-Base interactions energy: -140.224 where: short stacking energy: -56.139 Base-Backbone interact. energy: -0.139 local terms energy: -65.754235 where: bonds (distance) C4'-P energy: -13.798 bonds (distance) P-C4' energy: -13.935 flat angles C4'-P-C4' energy: -12.569 flat angles P-C4'-P energy: -8.232 tors. eta vs tors. theta energy: -17.222 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: 3, replica: 9 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -188.504074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.504074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.504074 (E_RNA) where: Base-Base interactions energy: -131.018 where: short stacking energy: -53.632 Base-Backbone interact. energy: 0.648 local terms energy: -58.134438 where: bonds (distance) C4'-P energy: -12.422 bonds (distance) P-C4' energy: -10.647 flat angles C4'-P-C4' energy: -10.475 flat angles P-C4'-P energy: -9.151 tors. eta vs tors. theta energy: -15.438 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: 5 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -194.496847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.496847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.496847 (E_RNA) where: Base-Base interactions energy: -134.780 where: short stacking energy: -56.621 Base-Backbone interact. energy: -0.095 local terms energy: -59.621277 where: bonds (distance) C4'-P energy: -13.194 bonds (distance) P-C4' energy: -12.825 flat angles C4'-P-C4' energy: -10.608 flat angles P-C4'-P energy: -6.406 tors. eta vs tors. theta energy: -16.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -177.082790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.082790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.082790 (E_RNA) where: Base-Base interactions energy: -121.080 where: short stacking energy: -52.945 Base-Backbone interact. energy: -0.001 local terms energy: -56.001499 where: bonds (distance) C4'-P energy: -9.574 bonds (distance) P-C4' energy: -9.782 flat angles C4'-P-C4' energy: -13.064 flat angles P-C4'-P energy: -9.419 tors. eta vs tors. theta energy: -14.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -184.218419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.218419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.218419 (E_RNA) where: Base-Base interactions energy: -128.338 where: short stacking energy: -51.072 Base-Backbone interact. energy: 0.166 local terms energy: -56.046678 where: bonds (distance) C4'-P energy: -12.663 bonds (distance) P-C4' energy: -6.267 flat angles C4'-P-C4' energy: -12.667 flat angles P-C4'-P energy: -7.517 tors. eta vs tors. theta energy: -16.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -180.930391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.930391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.930391 (E_RNA) where: Base-Base interactions energy: -121.115 where: short stacking energy: -55.379 Base-Backbone interact. energy: -0.019 local terms energy: -59.796353 where: bonds (distance) C4'-P energy: -12.762 bonds (distance) P-C4' energy: -10.982 flat angles C4'-P-C4' energy: -12.080 flat angles P-C4'-P energy: -9.291 tors. eta vs tors. theta energy: -14.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -176.864885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.864885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.864885 (E_RNA) where: Base-Base interactions energy: -128.593 where: short stacking energy: -51.417 Base-Backbone interact. energy: -0.009 local terms energy: -48.262825 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -9.505 flat angles C4'-P-C4' energy: -10.397 flat angles P-C4'-P energy: -5.597 tors. eta vs tors. theta energy: -14.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -62.470871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.470871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.470871 (E_RNA) where: Base-Base interactions energy: -22.594 where: short stacking energy: -20.329 Base-Backbone interact. energy: -1.026 local terms energy: -38.850767 where: bonds (distance) C4'-P energy: -12.537 bonds (distance) P-C4' energy: -8.766 flat angles C4'-P-C4' energy: -10.059 flat angles P-C4'-P energy: -9.191 tors. eta vs tors. theta energy: 1.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -64.769365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.769365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.769365 (E_RNA) where: Base-Base interactions energy: -20.741 where: short stacking energy: -20.741 Base-Backbone interact. energy: -0.311 local terms energy: -43.717725 where: bonds (distance) C4'-P energy: -12.821 bonds (distance) P-C4' energy: -14.374 flat angles C4'-P-C4' energy: -10.919 flat angles P-C4'-P energy: -4.369 tors. eta vs tors. theta energy: -1.235 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: 2 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -208.390681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.390681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.390681 (E_RNA) where: Base-Base interactions energy: -141.751 where: short stacking energy: -56.442 Base-Backbone interact. energy: -0.102 local terms energy: -66.536700 where: bonds (distance) C4'-P energy: -12.659 bonds (distance) P-C4' energy: -14.276 flat angles C4'-P-C4' energy: -14.099 flat angles P-C4'-P energy: -8.724 tors. eta vs tors. theta energy: -16.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -203.322025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.322025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.322025 (E_RNA) where: Base-Base interactions energy: -135.305 where: short stacking energy: -58.119 Base-Backbone interact. energy: -0.027 local terms energy: -67.990140 where: bonds (distance) C4'-P energy: -13.482 bonds (distance) P-C4' energy: -13.891 flat angles C4'-P-C4' energy: -13.735 flat angles P-C4'-P energy: -10.904 tors. eta vs tors. theta energy: -15.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -190.350933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.350933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.350933 (E_RNA) where: Base-Base interactions energy: -133.489 where: short stacking energy: -48.727 Base-Backbone interact. energy: -0.011 local terms energy: -56.850889 where: bonds (distance) C4'-P energy: -11.071 bonds (distance) P-C4' energy: -10.196 flat angles C4'-P-C4' energy: -14.176 flat angles P-C4'-P energy: -10.175 tors. eta vs tors. theta energy: -11.233 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: 5 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -195.808760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.808760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.808760 (E_RNA) where: Base-Base interactions energy: -134.099 where: short stacking energy: -59.788 Base-Backbone interact. energy: -0.001 local terms energy: -61.709364 where: bonds (distance) C4'-P energy: -12.556 bonds (distance) P-C4' energy: -13.551 flat angles C4'-P-C4' energy: -10.264 flat angles P-C4'-P energy: -9.022 tors. eta vs tors. theta energy: -16.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -181.293469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.293469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.293469 (E_RNA) where: Base-Base interactions energy: -116.088 where: short stacking energy: -53.531 Base-Backbone interact. energy: -0.038 local terms energy: -65.166551 where: bonds (distance) C4'-P energy: -13.132 bonds (distance) P-C4' energy: -14.269 flat angles C4'-P-C4' energy: -12.912 flat angles P-C4'-P energy: -10.358 tors. eta vs tors. theta energy: -14.495 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: 10 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -174.226949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.226949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.226949 (E_RNA) where: Base-Base interactions energy: -121.206 where: short stacking energy: -47.946 Base-Backbone interact. energy: -0.048 local terms energy: -52.972750 where: bonds (distance) C4'-P energy: -12.282 bonds (distance) P-C4' energy: -11.154 flat angles C4'-P-C4' energy: -10.452 flat angles P-C4'-P energy: -6.728 tors. eta vs tors. theta energy: -12.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -184.043873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.043873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.043873 (E_RNA) where: Base-Base interactions energy: -127.105 where: short stacking energy: -51.044 Base-Backbone interact. energy: -0.002 local terms energy: -56.936816 where: bonds (distance) C4'-P energy: -11.582 bonds (distance) P-C4' energy: -12.785 flat angles C4'-P-C4' energy: -10.581 flat angles P-C4'-P energy: -6.174 tors. eta vs tors. theta energy: -15.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -158.291662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.291662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.291662 (E_RNA) where: Base-Base interactions energy: -108.051 where: short stacking energy: -38.506 Base-Backbone interact. energy: -0.172 local terms energy: -50.068342 where: bonds (distance) C4'-P energy: -12.837 bonds (distance) P-C4' energy: -9.691 flat angles C4'-P-C4' energy: -7.202 flat angles P-C4'-P energy: -10.191 tors. eta vs tors. theta energy: -10.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -66.209465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.209465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.209465 (E_RNA) where: Base-Base interactions energy: -27.665 where: short stacking energy: -27.665 Base-Backbone interact. energy: -0.046 local terms energy: -38.497829 where: bonds (distance) C4'-P energy: -10.913 bonds (distance) P-C4' energy: -12.521 flat angles C4'-P-C4' energy: -9.169 flat angles P-C4'-P energy: -5.346 tors. eta vs tors. theta energy: -0.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -65.485139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.485139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.485139 (E_RNA) where: Base-Base interactions energy: -22.923 where: short stacking energy: -22.923 Base-Backbone interact. energy: -0.067 local terms energy: -42.495666 where: bonds (distance) C4'-P energy: -9.403 bonds (distance) P-C4' energy: -9.587 flat angles C4'-P-C4' energy: -12.632 flat angles P-C4'-P energy: -6.768 tors. eta vs tors. theta energy: -4.106 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: 277 Temperature: 0.900000 Total energy: -206.137745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.137745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.137745 (E_RNA) where: Base-Base interactions energy: -137.120 where: short stacking energy: -59.324 Base-Backbone interact. energy: -0.236 local terms energy: -68.780906 where: bonds (distance) C4'-P energy: -13.860 bonds (distance) P-C4' energy: -14.382 flat angles C4'-P-C4' energy: -14.309 flat angles P-C4'-P energy: -11.174 tors. eta vs tors. theta energy: -15.056 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: 9 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -187.957957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.957957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.957957 (E_RNA) where: Base-Base interactions energy: -133.962 where: short stacking energy: -47.167 Base-Backbone interact. energy: -0.073 local terms energy: -53.922369 where: bonds (distance) C4'-P energy: -9.042 bonds (distance) P-C4' energy: -14.237 flat angles C4'-P-C4' energy: -13.507 flat angles P-C4'-P energy: -8.121 tors. eta vs tors. theta energy: -9.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -203.335242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.335242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.335242 (E_RNA) where: Base-Base interactions energy: -140.399 where: short stacking energy: -59.096 Base-Backbone interact. energy: -0.013 local terms energy: -62.923208 where: bonds (distance) C4'-P energy: -13.834 bonds (distance) P-C4' energy: -14.315 flat angles C4'-P-C4' energy: -10.692 flat angles P-C4'-P energy: -8.791 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: 4, replica: 4 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -196.174192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.174192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.174192 (E_RNA) where: Base-Base interactions energy: -140.220 where: short stacking energy: -57.955 Base-Backbone interact. energy: -0.550 local terms energy: -55.404676 where: bonds (distance) C4'-P energy: -10.047 bonds (distance) P-C4' energy: -12.135 flat angles C4'-P-C4' energy: -13.576 flat angles P-C4'-P energy: -6.407 tors. eta vs tors. theta energy: -13.241 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: 5 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -192.791679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.791679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.791679 (E_RNA) where: Base-Base interactions energy: -134.836 where: short stacking energy: -56.402 Base-Backbone interact. energy: -0.011 local terms energy: -57.944972 where: bonds (distance) C4'-P energy: -13.119 bonds (distance) P-C4' energy: -11.351 flat angles C4'-P-C4' energy: -9.260 flat angles P-C4'-P energy: -8.786 tors. eta vs tors. theta energy: -15.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -187.576673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.576673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.576673 (E_RNA) where: Base-Base interactions energy: -132.925 where: short stacking energy: -53.598 Base-Backbone interact. energy: -0.038 local terms energy: -54.613918 where: bonds (distance) C4'-P energy: -11.189 bonds (distance) P-C4' energy: -12.405 flat angles C4'-P-C4' energy: -6.469 flat angles P-C4'-P energy: -8.517 tors. eta vs tors. theta energy: -16.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -173.648690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.648690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.648690 (E_RNA) where: Base-Base interactions energy: -123.449 where: short stacking energy: -50.903 Base-Backbone interact. energy: -0.079 local terms energy: -50.121276 where: bonds (distance) C4'-P energy: -8.916 bonds (distance) P-C4' energy: -6.764 flat angles C4'-P-C4' energy: -13.117 flat angles P-C4'-P energy: -7.581 tors. eta vs tors. theta energy: -13.742 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: 6 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -173.381402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.381402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.381402 (E_RNA) where: Base-Base interactions energy: -123.855 where: short stacking energy: -55.281 Base-Backbone interact. energy: 1.124 local terms energy: -50.650640 where: bonds (distance) C4'-P energy: -11.852 bonds (distance) P-C4' energy: -8.320 flat angles C4'-P-C4' energy: -9.832 flat angles P-C4'-P energy: -5.138 tors. eta vs tors. theta energy: -15.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -73.164532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.164532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.164532 (E_RNA) where: Base-Base interactions energy: -34.881 where: short stacking energy: -26.139 Base-Backbone interact. energy: -0.069 local terms energy: -38.214611 where: bonds (distance) C4'-P energy: -6.018 bonds (distance) P-C4' energy: -9.622 flat angles C4'-P-C4' energy: -10.100 flat angles P-C4'-P energy: -9.939 tors. eta vs tors. theta energy: -2.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -74.957327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.957327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.957327 (E_RNA) where: Base-Base interactions energy: -36.737 where: short stacking energy: -23.992 Base-Backbone interact. energy: -0.001 local terms energy: -38.219154 where: bonds (distance) C4'-P energy: -5.521 bonds (distance) P-C4' energy: -13.335 flat angles C4'-P-C4' energy: -9.383 flat angles P-C4'-P energy: -5.534 tors. eta vs tors. theta energy: -4.447 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: 1, replica: 9 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -201.250832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.250832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.250832 (E_RNA) where: Base-Base interactions energy: -141.946 where: short stacking energy: -53.298 Base-Backbone interact. energy: -0.029 local terms energy: -59.275651 where: bonds (distance) C4'-P energy: -13.888 bonds (distance) P-C4' energy: -13.973 flat angles C4'-P-C4' energy: -15.561 flat angles P-C4'-P energy: -4.337 tors. eta vs tors. theta energy: -11.517 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: 2 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -200.941076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.941076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.941076 (E_RNA) where: Base-Base interactions energy: -139.062 where: short stacking energy: -62.140 Base-Backbone interact. energy: -0.002 local terms energy: -61.876467 where: bonds (distance) C4'-P energy: -11.562 bonds (distance) P-C4' energy: -12.487 flat angles C4'-P-C4' energy: -11.115 flat angles P-C4'-P energy: -9.098 tors. eta vs tors. theta energy: -17.614 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: 7 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -193.440936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.440936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.440936 (E_RNA) where: Base-Base interactions energy: -134.169 where: short stacking energy: -52.691 Base-Backbone interact. energy: -0.882 local terms energy: -58.389330 where: bonds (distance) C4'-P energy: -13.194 bonds (distance) P-C4' energy: -12.581 flat angles C4'-P-C4' energy: -9.868 flat angles P-C4'-P energy: -5.766 tors. eta vs tors. theta energy: -16.980 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: 4 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -197.669315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.669315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.669315 (E_RNA) where: Base-Base interactions energy: -134.711 where: short stacking energy: -55.713 Base-Backbone interact. energy: -0.124 local terms energy: -62.834162 where: bonds (distance) C4'-P energy: -14.227 bonds (distance) P-C4' energy: -11.886 flat angles C4'-P-C4' energy: -11.654 flat angles P-C4'-P energy: -8.882 tors. eta vs tors. theta energy: -16.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -178.009416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.009416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.009416 (E_RNA) where: Base-Base interactions energy: -124.624 where: short stacking energy: -49.876 Base-Backbone interact. energy: 0.148 local terms energy: -53.533297 where: bonds (distance) C4'-P energy: -11.322 bonds (distance) P-C4' energy: -12.518 flat angles C4'-P-C4' energy: -9.580 flat angles P-C4'-P energy: -10.219 tors. eta vs tors. theta energy: -9.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -178.490137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.490137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.490137 (E_RNA) where: Base-Base interactions energy: -120.014 where: short stacking energy: -47.903 Base-Backbone interact. energy: -0.227 local terms energy: -58.248627 where: bonds (distance) C4'-P energy: -14.377 bonds (distance) P-C4' energy: -11.849 flat angles C4'-P-C4' energy: -12.494 flat angles P-C4'-P energy: -9.129 tors. eta vs tors. theta energy: -10.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -165.567234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.567234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.567234 (E_RNA) where: Base-Base interactions energy: -115.114 where: short stacking energy: -43.987 Base-Backbone interact. energy: -0.166 local terms energy: -50.286582 where: bonds (distance) C4'-P energy: -6.619 bonds (distance) P-C4' energy: -11.510 flat angles C4'-P-C4' energy: -11.576 flat angles P-C4'-P energy: -7.616 tors. eta vs tors. theta energy: -12.966 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: 8, replica: 1 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -164.982434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.982434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.982434 (E_RNA) where: Base-Base interactions energy: -109.897 where: short stacking energy: -44.291 Base-Backbone interact. energy: -0.191 local terms energy: -54.894586 where: bonds (distance) C4'-P energy: -9.616 bonds (distance) P-C4' energy: -13.107 flat angles C4'-P-C4' energy: -12.253 flat angles P-C4'-P energy: -9.304 tors. eta vs tors. theta energy: -10.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -79.160873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.160873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.160873 (E_RNA) where: Base-Base interactions energy: -29.282 where: short stacking energy: -24.493 Base-Backbone interact. energy: -0.072 local terms energy: -49.806354 where: bonds (distance) C4'-P energy: -9.006 bonds (distance) P-C4' energy: -15.802 flat angles C4'-P-C4' energy: -13.620 flat angles P-C4'-P energy: -4.344 tors. eta vs tors. theta energy: -7.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -62.515800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.515800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.515800 (E_RNA) where: Base-Base interactions energy: -18.314 where: short stacking energy: -15.785 Base-Backbone interact. energy: -0.101 local terms energy: -44.100896 where: bonds (distance) C4'-P energy: -12.486 bonds (distance) P-C4' energy: -12.782 flat angles C4'-P-C4' energy: -10.515 flat angles P-C4'-P energy: -4.673 tors. eta vs tors. theta energy: -3.645 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: 9 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -192.422300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.422300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.422300 (E_RNA) where: Base-Base interactions energy: -128.601 where: short stacking energy: -55.314 Base-Backbone interact. energy: -0.006 local terms energy: -63.815409 where: bonds (distance) C4'-P energy: -14.092 bonds (distance) P-C4' energy: -14.138 flat angles C4'-P-C4' energy: -13.308 flat angles P-C4'-P energy: -7.878 tors. eta vs tors. theta energy: -14.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -200.820138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.820138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.820138 (E_RNA) where: Base-Base interactions energy: -135.403 where: short stacking energy: -55.731 Base-Backbone interact. energy: 0.005 local terms energy: -65.422811 where: bonds (distance) C4'-P energy: -12.188 bonds (distance) P-C4' energy: -14.811 flat angles C4'-P-C4' energy: -14.243 flat angles P-C4'-P energy: -7.529 tors. eta vs tors. theta energy: -16.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -201.072230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.072230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.072230 (E_RNA) where: Base-Base interactions energy: -137.130 where: short stacking energy: -58.184 Base-Backbone interact. energy: -0.090 local terms energy: -63.852036 where: bonds (distance) C4'-P energy: -11.922 bonds (distance) P-C4' energy: -12.095 flat angles C4'-P-C4' energy: -14.684 flat angles P-C4'-P energy: -6.649 tors. eta vs tors. theta energy: -18.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -186.250812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.250812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.250812 (E_RNA) where: Base-Base interactions energy: -121.726 where: short stacking energy: -52.870 Base-Backbone interact. energy: -0.003 local terms energy: -64.521120 where: bonds (distance) C4'-P energy: -11.070 bonds (distance) P-C4' energy: -12.992 flat angles C4'-P-C4' energy: -12.981 flat angles P-C4'-P energy: -11.067 tors. eta vs tors. theta energy: -16.411 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: 4 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -188.001654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.001654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.001654 (E_RNA) where: Base-Base interactions energy: -125.625 where: short stacking energy: -52.383 Base-Backbone interact. energy: -0.003 local terms energy: -62.374539 where: bonds (distance) C4'-P energy: -12.803 bonds (distance) P-C4' energy: -13.880 flat angles C4'-P-C4' energy: -11.807 flat angles P-C4'-P energy: -8.913 tors. eta vs tors. theta energy: -14.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -179.504811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.504811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.504811 (E_RNA) where: Base-Base interactions energy: -129.590 where: short stacking energy: -57.289 Base-Backbone interact. energy: -0.005 local terms energy: -49.909515 where: bonds (distance) C4'-P energy: -7.624 bonds (distance) P-C4' energy: -11.564 flat angles C4'-P-C4' energy: -13.586 flat angles P-C4'-P energy: -5.244 tors. eta vs tors. theta energy: -11.891 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: 7, replica: 6 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -169.346812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.346812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.346812 (E_RNA) where: Base-Base interactions energy: -112.441 where: short stacking energy: -43.663 Base-Backbone interact. energy: 0.242 local terms energy: -57.147794 where: bonds (distance) C4'-P energy: -7.972 bonds (distance) P-C4' energy: -13.071 flat angles C4'-P-C4' energy: -15.114 flat angles P-C4'-P energy: -10.396 tors. eta vs tors. theta energy: -10.594 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: 1 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -162.992676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.992676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.992676 (E_RNA) where: Base-Base interactions energy: -110.416 where: short stacking energy: -44.139 Base-Backbone interact. energy: -0.257 local terms energy: -52.319030 where: bonds (distance) C4'-P energy: -11.478 bonds (distance) P-C4' energy: -11.184 flat angles C4'-P-C4' energy: -14.472 flat angles P-C4'-P energy: -7.387 tors. eta vs tors. theta energy: -7.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -62.421598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.421598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.421598 (E_RNA) where: Base-Base interactions energy: -24.539 where: short stacking energy: -21.481 Base-Backbone interact. energy: -0.004 local terms energy: -37.878384 where: bonds (distance) C4'-P energy: -11.152 bonds (distance) P-C4' energy: -12.465 flat angles C4'-P-C4' energy: -7.145 flat angles P-C4'-P energy: -2.161 tors. eta vs tors. theta energy: -4.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -62.513483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.513483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.513483 (E_RNA) where: Base-Base interactions energy: -20.105 where: short stacking energy: -21.175 Base-Backbone interact. energy: -0.256 local terms energy: -42.152114 where: bonds (distance) C4'-P energy: -12.641 bonds (distance) P-C4' energy: -10.470 flat angles C4'-P-C4' energy: -7.417 flat angles P-C4'-P energy: -8.481 tors. eta vs tors. theta energy: -3.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -208.859372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.859372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.859372 (E_RNA) where: Base-Base interactions energy: -146.258 where: short stacking energy: -62.281 Base-Backbone interact. energy: -0.001 local terms energy: -62.600799 where: bonds (distance) C4'-P energy: -12.352 bonds (distance) P-C4' energy: -11.382 flat angles C4'-P-C4' energy: -13.022 flat angles P-C4'-P energy: -7.576 tors. eta vs tors. theta energy: -18.268 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: 9 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -200.190002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.190002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.190002 (E_RNA) where: Base-Base interactions energy: -137.542 where: short stacking energy: -60.689 Base-Backbone interact. energy: -0.052 local terms energy: -62.596260 where: bonds (distance) C4'-P energy: -11.799 bonds (distance) P-C4' energy: -11.321 flat angles C4'-P-C4' energy: -13.543 flat angles P-C4'-P energy: -10.022 tors. eta vs tors. theta energy: -15.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -194.536858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.536858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.536858 (E_RNA) where: Base-Base interactions energy: -132.847 where: short stacking energy: -54.816 Base-Backbone interact. energy: -0.018 local terms energy: -61.671286 where: bonds (distance) C4'-P energy: -10.224 bonds (distance) P-C4' energy: -13.110 flat angles C4'-P-C4' energy: -14.464 flat angles P-C4'-P energy: -7.884 tors. eta vs tors. theta energy: -15.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -191.943909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.943909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.943909 (E_RNA) where: Base-Base interactions energy: -137.137 where: short stacking energy: -60.161 Base-Backbone interact. energy: -0.075 local terms energy: -54.732216 where: bonds (distance) C4'-P energy: -12.166 bonds (distance) P-C4' energy: -7.707 flat angles C4'-P-C4' energy: -13.709 flat angles P-C4'-P energy: -3.988 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: 5, replica: 10 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -188.186123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.186123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.186123 (E_RNA) where: Base-Base interactions energy: -130.787 where: short stacking energy: -54.554 Base-Backbone interact. energy: -0.148 local terms energy: -57.250771 where: bonds (distance) C4'-P energy: -9.177 bonds (distance) P-C4' energy: -13.020 flat angles C4'-P-C4' energy: -11.944 flat angles P-C4'-P energy: -6.867 tors. eta vs tors. theta energy: -16.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -187.090948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.090948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.090948 (E_RNA) where: Base-Base interactions energy: -127.878 where: short stacking energy: -55.985 Base-Backbone interact. energy: -0.007 local terms energy: -59.205807 where: bonds (distance) C4'-P energy: -10.399 bonds (distance) P-C4' energy: -11.703 flat angles C4'-P-C4' energy: -12.136 flat angles P-C4'-P energy: -9.999 tors. eta vs tors. theta energy: -14.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -181.958216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.958216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.958216 (E_RNA) where: Base-Base interactions energy: -132.191 where: short stacking energy: -50.829 Base-Backbone interact. energy: -0.111 local terms energy: -49.655760 where: bonds (distance) C4'-P energy: -8.275 bonds (distance) P-C4' energy: -10.474 flat angles C4'-P-C4' energy: -8.793 flat angles P-C4'-P energy: -5.721 tors. eta vs tors. theta energy: -16.393 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: 8, replica: 6 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -163.834943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.834943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.834943 (E_RNA) where: Base-Base interactions energy: -115.067 where: short stacking energy: -41.160 Base-Backbone interact. energy: -0.016 local terms energy: -48.752008 where: bonds (distance) C4'-P energy: -8.825 bonds (distance) P-C4' energy: -11.408 flat angles C4'-P-C4' energy: -11.722 flat angles P-C4'-P energy: -4.807 tors. eta vs tors. theta energy: -11.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -69.403663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.403663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.403663 (E_RNA) where: Base-Base interactions energy: -32.170 where: short stacking energy: -21.733 Base-Backbone interact. energy: -0.281 local terms energy: -36.952088 where: bonds (distance) C4'-P energy: -8.985 bonds (distance) P-C4' energy: -9.489 flat angles C4'-P-C4' energy: -10.212 flat angles P-C4'-P energy: -8.542 tors. eta vs tors. theta energy: 0.276 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: 3 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -63.350896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.350896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.350896 (E_RNA) where: Base-Base interactions energy: -27.241 where: short stacking energy: -27.185 Base-Backbone interact. energy: -0.042 local terms energy: -36.068230 where: bonds (distance) C4'-P energy: -8.738 bonds (distance) P-C4' energy: -10.153 flat angles C4'-P-C4' energy: -10.335 flat angles P-C4'-P energy: -3.179 tors. eta vs tors. theta energy: -3.664 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: 1, replica: 2 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -203.001577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.001577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.001577 (E_RNA) where: Base-Base interactions energy: -139.732 where: short stacking energy: -54.336 Base-Backbone interact. energy: -0.004 local terms energy: -63.265582 where: bonds (distance) C4'-P energy: -11.888 bonds (distance) P-C4' energy: -14.181 flat angles C4'-P-C4' energy: -13.445 flat angles P-C4'-P energy: -9.896 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: 2, replica: 9 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -201.030195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.030195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.030195 (E_RNA) where: Base-Base interactions energy: -140.980 where: short stacking energy: -56.298 Base-Backbone interact. energy: -0.003 local terms energy: -60.046920 where: bonds (distance) C4'-P energy: -12.282 bonds (distance) P-C4' energy: -11.380 flat angles C4'-P-C4' energy: -13.960 flat angles P-C4'-P energy: -9.167 tors. eta vs tors. theta energy: -13.259 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: 3, replica: 5 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -194.974230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.974230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.974230 (E_RNA) where: Base-Base interactions energy: -136.365 where: short stacking energy: -58.903 Base-Backbone interact. energy: -0.034 local terms energy: -58.574997 where: bonds (distance) C4'-P energy: -10.249 bonds (distance) P-C4' energy: -14.624 flat angles C4'-P-C4' energy: -11.164 flat angles P-C4'-P energy: -8.585 tors. eta vs tors. theta energy: -13.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -190.531387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.531387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.531387 (E_RNA) where: Base-Base interactions energy: -129.347 where: short stacking energy: -57.093 Base-Backbone interact. energy: -0.001 local terms energy: -61.183600 where: bonds (distance) C4'-P energy: -12.493 bonds (distance) P-C4' energy: -10.468 flat angles C4'-P-C4' energy: -14.806 flat angles P-C4'-P energy: -6.355 tors. eta vs tors. theta energy: -17.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -196.712163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.712163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.712163 (E_RNA) where: Base-Base interactions energy: -140.134 where: short stacking energy: -53.392 Base-Backbone interact. energy: -0.123 local terms energy: -56.455367 where: bonds (distance) C4'-P energy: -10.104 bonds (distance) P-C4' energy: -9.315 flat angles C4'-P-C4' energy: -12.461 flat angles P-C4'-P energy: -7.591 tors. eta vs tors. theta energy: -16.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -173.792075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.792075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.792075 (E_RNA) where: Base-Base interactions energy: -112.037 where: short stacking energy: -49.318 Base-Backbone interact. energy: -0.077 local terms energy: -61.678030 where: bonds (distance) C4'-P energy: -11.011 bonds (distance) P-C4' energy: -11.533 flat angles C4'-P-C4' energy: -14.074 flat angles P-C4'-P energy: -11.399 tors. eta vs tors. theta energy: -13.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -178.185942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.185942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.185942 (E_RNA) where: Base-Base interactions energy: -121.723 where: short stacking energy: -48.083 Base-Backbone interact. energy: -0.004 local terms energy: -56.459108 where: bonds (distance) C4'-P energy: -10.975 bonds (distance) P-C4' energy: -10.431 flat angles C4'-P-C4' energy: -11.040 flat angles P-C4'-P energy: -7.840 tors. eta vs tors. theta energy: -16.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -161.389753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.389753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.389753 (E_RNA) where: Base-Base interactions energy: -112.798 where: short stacking energy: -49.035 Base-Backbone interact. energy: -0.286 local terms energy: -48.305348 where: bonds (distance) C4'-P energy: -8.588 bonds (distance) P-C4' energy: -2.106 flat angles C4'-P-C4' energy: -13.733 flat angles P-C4'-P energy: -9.051 tors. eta vs tors. theta energy: -14.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -70.812685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.812685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.812685 (E_RNA) where: Base-Base interactions energy: -40.990 where: short stacking energy: -21.884 Base-Backbone interact. energy: -0.106 local terms energy: -29.716695 where: bonds (distance) C4'-P energy: -7.459 bonds (distance) P-C4' energy: -9.862 flat angles C4'-P-C4' energy: -4.041 flat angles P-C4'-P energy: -6.842 tors. eta vs tors. theta energy: -1.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -72.909130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.909130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.909130 (E_RNA) where: Base-Base interactions energy: -29.865 where: short stacking energy: -27.033 Base-Backbone interact. energy: -0.084 local terms energy: -42.959919 where: bonds (distance) C4'-P energy: -11.330 bonds (distance) P-C4' energy: -12.646 flat angles C4'-P-C4' energy: -11.898 flat angles P-C4'-P energy: -2.572 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: 2 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -205.649811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.649811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.649811 (E_RNA) where: Base-Base interactions energy: -140.915 where: short stacking energy: -60.591 Base-Backbone interact. energy: -0.006 local terms energy: -64.728968 where: bonds (distance) C4'-P energy: -13.487 bonds (distance) P-C4' energy: -11.610 flat angles C4'-P-C4' energy: -13.440 flat angles P-C4'-P energy: -10.141 tors. eta vs tors. theta energy: -16.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -200.591871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.591871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.591871 (E_RNA) where: Base-Base interactions energy: -133.977 where: short stacking energy: -55.091 Base-Backbone interact. energy: -0.109 local terms energy: -66.505459 where: bonds (distance) C4'-P energy: -12.796 bonds (distance) P-C4' energy: -12.205 flat angles C4'-P-C4' energy: -13.782 flat angles P-C4'-P energy: -10.542 tors. eta vs tors. theta energy: -17.180 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: 10 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -200.919073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.919073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.919073 (E_RNA) where: Base-Base interactions energy: -135.899 where: short stacking energy: -58.319 Base-Backbone interact. energy: -0.002 local terms energy: -65.018496 where: bonds (distance) C4'-P energy: -13.603 bonds (distance) P-C4' energy: -12.395 flat angles C4'-P-C4' energy: -12.817 flat angles P-C4'-P energy: -7.451 tors. eta vs tors. theta energy: -18.752 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: 5 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -185.178593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.178593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.178593 (E_RNA) where: Base-Base interactions energy: -123.543 where: short stacking energy: -50.841 Base-Backbone interact. energy: -0.057 local terms energy: -61.578969 where: bonds (distance) C4'-P energy: -11.922 bonds (distance) P-C4' energy: -14.413 flat angles C4'-P-C4' energy: -12.974 flat angles P-C4'-P energy: -7.116 tors. eta vs tors. theta energy: -15.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -186.169375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.169375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.169375 (E_RNA) where: Base-Base interactions energy: -129.678 where: short stacking energy: -53.215 Base-Backbone interact. energy: -0.091 local terms energy: -56.400676 where: bonds (distance) C4'-P energy: -9.810 bonds (distance) P-C4' energy: -12.659 flat angles C4'-P-C4' energy: -11.852 flat angles P-C4'-P energy: -6.743 tors. eta vs tors. theta energy: -15.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -182.473108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.473108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.473108 (E_RNA) where: Base-Base interactions energy: -125.552 where: short stacking energy: -53.196 Base-Backbone interact. energy: -0.685 local terms energy: -56.235602 where: bonds (distance) C4'-P energy: -12.315 bonds (distance) P-C4' energy: -5.695 flat angles C4'-P-C4' energy: -13.151 flat angles P-C4'-P energy: -8.501 tors. eta vs tors. theta energy: -16.573 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: 7, replica: 6 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -163.107442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.107442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.107442 (E_RNA) where: Base-Base interactions energy: -109.409 where: short stacking energy: -37.326 Base-Backbone interact. energy: -0.241 local terms energy: -53.458169 where: bonds (distance) C4'-P energy: -9.056 bonds (distance) P-C4' energy: -12.834 flat angles C4'-P-C4' energy: -12.970 flat angles P-C4'-P energy: -10.896 tors. eta vs tors. theta energy: -7.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -179.761392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.761392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.761392 (E_RNA) where: Base-Base interactions energy: -123.639 where: short stacking energy: -50.989 Base-Backbone interact. energy: -0.025 local terms energy: -56.097785 where: bonds (distance) C4'-P energy: -11.329 bonds (distance) P-C4' energy: -9.681 flat angles C4'-P-C4' energy: -12.077 flat angles P-C4'-P energy: -9.390 tors. eta vs tors. theta energy: -13.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -84.543460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.543460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.543460 (E_RNA) where: Base-Base interactions energy: -49.579 where: short stacking energy: -17.027 Base-Backbone interact. energy: -0.669 local terms energy: -34.296281 where: bonds (distance) C4'-P energy: -5.919 bonds (distance) P-C4' energy: -11.899 flat angles C4'-P-C4' energy: -6.348 flat angles P-C4'-P energy: -8.382 tors. eta vs tors. theta energy: -1.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -66.462573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.462573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.462573 (E_RNA) where: Base-Base interactions energy: -21.192 where: short stacking energy: -13.644 Base-Backbone interact. energy: -0.011 local terms energy: -45.260030 where: bonds (distance) C4'-P energy: -12.626 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -9.463 flat angles P-C4'-P energy: -8.507 tors. eta vs tors. theta energy: -5.546 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: 1, replica: 2 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -209.444614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.444614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.444614 (E_RNA) where: Base-Base interactions energy: -140.829 where: short stacking energy: -59.127 Base-Backbone interact. energy: -0.000 local terms energy: -68.615383 where: bonds (distance) C4'-P energy: -12.564 bonds (distance) P-C4' energy: -14.438 flat angles C4'-P-C4' energy: -14.246 flat angles P-C4'-P energy: -11.283 tors. eta vs tors. theta energy: -16.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -202.241794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.241794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.241794 (E_RNA) where: Base-Base interactions energy: -137.338 where: short stacking energy: -54.735 Base-Backbone interact. energy: -0.001 local terms energy: -64.903255 where: bonds (distance) C4'-P energy: -11.295 bonds (distance) P-C4' energy: -14.427 flat angles C4'-P-C4' energy: -13.269 flat angles P-C4'-P energy: -7.353 tors. eta vs tors. theta energy: -18.559 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: 3, replica: 10 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -195.667821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.667821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.667821 (E_RNA) where: Base-Base interactions energy: -135.297 where: short stacking energy: -58.204 Base-Backbone interact. energy: 0.217 local terms energy: -60.587430 where: bonds (distance) C4'-P energy: -10.391 bonds (distance) P-C4' energy: -14.051 flat angles C4'-P-C4' energy: -11.608 flat angles P-C4'-P energy: -10.337 tors. eta vs tors. theta energy: -14.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -190.122906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.122906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.122906 (E_RNA) where: Base-Base interactions energy: -129.612 where: short stacking energy: -53.348 Base-Backbone interact. energy: -0.025 local terms energy: -60.486743 where: bonds (distance) C4'-P energy: -11.843 bonds (distance) P-C4' energy: -11.986 flat angles C4'-P-C4' energy: -13.860 flat angles P-C4'-P energy: -9.843 tors. eta vs tors. theta energy: -12.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -184.586535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.586535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.586535 (E_RNA) where: Base-Base interactions energy: -130.032 where: short stacking energy: -53.002 Base-Backbone interact. energy: -0.069 local terms energy: -54.485687 where: bonds (distance) C4'-P energy: -9.281 bonds (distance) P-C4' energy: -12.511 flat angles C4'-P-C4' energy: -13.150 flat angles P-C4'-P energy: -4.382 tors. eta vs tors. theta energy: -15.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -186.640372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.640372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.640372 (E_RNA) where: Base-Base interactions energy: -124.990 where: short stacking energy: -54.703 Base-Backbone interact. energy: -0.001 local terms energy: -61.649391 where: bonds (distance) C4'-P energy: -12.447 bonds (distance) P-C4' energy: -12.484 flat angles C4'-P-C4' energy: -13.726 flat angles P-C4'-P energy: -7.862 tors. eta vs tors. theta energy: -15.131 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: 283 Temperature: 1.200000 Total energy: -171.304984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.304984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.304984 (E_RNA) where: Base-Base interactions energy: -117.013 where: short stacking energy: -49.759 Base-Backbone interact. energy: -0.220 local terms energy: -54.071763 where: bonds (distance) C4'-P energy: -7.840 bonds (distance) P-C4' energy: -12.775 flat angles C4'-P-C4' energy: -14.031 flat angles P-C4'-P energy: -9.139 tors. eta vs tors. theta energy: -10.286 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: 4 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -174.482012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.482012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.482012 (E_RNA) where: Base-Base interactions energy: -116.066 where: short stacking energy: -56.314 Base-Backbone interact. energy: -0.125 local terms energy: -58.291755 where: bonds (distance) C4'-P energy: -13.888 bonds (distance) P-C4' energy: -13.423 flat angles C4'-P-C4' energy: -12.037 flat angles P-C4'-P energy: -4.928 tors. eta vs tors. theta energy: -14.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -70.620805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.620805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.620805 (E_RNA) where: Base-Base interactions energy: -25.366 where: short stacking energy: -16.373 Base-Backbone interact. energy: -0.127 local terms energy: -45.128237 where: bonds (distance) C4'-P energy: -8.788 bonds (distance) P-C4' energy: -13.244 flat angles C4'-P-C4' energy: -12.336 flat angles P-C4'-P energy: -9.219 tors. eta vs tors. theta energy: -1.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -63.628691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.628691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.628691 (E_RNA) where: Base-Base interactions energy: -25.872 where: short stacking energy: -14.865 Base-Backbone interact. energy: -0.004 local terms energy: -37.752833 where: bonds (distance) C4'-P energy: -7.025 bonds (distance) P-C4' energy: -12.416 flat angles C4'-P-C4' energy: -10.263 flat angles P-C4'-P energy: -8.120 tors. eta vs tors. theta energy: 0.072 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: 1, replica: 2 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -206.581792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.581792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.581792 (E_RNA) where: Base-Base interactions energy: -143.259 where: short stacking energy: -59.618 Base-Backbone interact. energy: -0.219 local terms energy: -63.103805 where: bonds (distance) C4'-P energy: -12.643 bonds (distance) P-C4' energy: -13.589 flat angles C4'-P-C4' energy: -14.470 flat angles P-C4'-P energy: -8.808 tors. eta vs tors. theta energy: -13.594 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: 9 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -198.762937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.762937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.762937 (E_RNA) where: Base-Base interactions energy: -134.913 where: short stacking energy: -56.934 Base-Backbone interact. energy: -1.181 local terms energy: -62.668769 where: bonds (distance) C4'-P energy: -9.831 bonds (distance) P-C4' energy: -13.028 flat angles C4'-P-C4' energy: -12.356 flat angles P-C4'-P energy: -12.255 tors. eta vs tors. theta energy: -15.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -199.721224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.721224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.721224 (E_RNA) where: Base-Base interactions energy: -141.472 where: short stacking energy: -59.725 Base-Backbone interact. energy: 0.011 local terms energy: -58.260406 where: bonds (distance) C4'-P energy: -13.020 bonds (distance) P-C4' energy: -12.508 flat angles C4'-P-C4' energy: -9.960 flat angles P-C4'-P energy: -7.641 tors. eta vs tors. theta energy: -15.131 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: 10 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -189.587820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.587820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.587820 (E_RNA) where: Base-Base interactions energy: -136.653 where: short stacking energy: -59.971 Base-Backbone interact. energy: -0.076 local terms energy: -52.858351 where: bonds (distance) C4'-P energy: -11.331 bonds (distance) P-C4' energy: -11.240 flat angles C4'-P-C4' energy: -9.384 flat angles P-C4'-P energy: -3.906 tors. eta vs tors. theta energy: -16.997 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: 7 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -189.532340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.532340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.532340 (E_RNA) where: Base-Base interactions energy: -139.542 where: short stacking energy: -60.554 Base-Backbone interact. energy: -0.007 local terms energy: -49.983233 where: bonds (distance) C4'-P energy: -11.711 bonds (distance) P-C4' energy: -8.483 flat angles C4'-P-C4' energy: -7.017 flat angles P-C4'-P energy: -7.679 tors. eta vs tors. theta energy: -15.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -170.116039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.116039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.116039 (E_RNA) where: Base-Base interactions energy: -121.608 where: short stacking energy: -49.151 Base-Backbone interact. energy: -0.099 local terms energy: -48.409639 where: bonds (distance) C4'-P energy: -6.881 bonds (distance) P-C4' energy: -10.150 flat angles C4'-P-C4' energy: -7.130 flat angles P-C4'-P energy: -11.210 tors. eta vs tors. theta energy: -13.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -185.338609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.338609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.338609 (E_RNA) where: Base-Base interactions energy: -128.032 where: short stacking energy: -51.979 Base-Backbone interact. energy: -0.504 local terms energy: -56.802622 where: bonds (distance) C4'-P energy: -11.027 bonds (distance) P-C4' energy: -12.603 flat angles C4'-P-C4' energy: -10.255 flat angles P-C4'-P energy: -9.576 tors. eta vs tors. theta energy: -13.342 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: 6 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -179.576903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.576903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.576903 (E_RNA) where: Base-Base interactions energy: -127.053 where: short stacking energy: -51.750 Base-Backbone interact. energy: -0.014 local terms energy: -52.509503 where: bonds (distance) C4'-P energy: -8.358 bonds (distance) P-C4' energy: -10.640 flat angles C4'-P-C4' energy: -11.366 flat angles P-C4'-P energy: -6.769 tors. eta vs tors. theta energy: -15.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -86.487084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.487084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.487084 (E_RNA) where: Base-Base interactions energy: -36.550 where: short stacking energy: -25.268 Base-Backbone interact. energy: -0.101 local terms energy: -49.835936 where: bonds (distance) C4'-P energy: -9.040 bonds (distance) P-C4' energy: -11.847 flat angles C4'-P-C4' energy: -10.437 flat angles P-C4'-P energy: -11.044 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: 10, replica: 8 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -58.874172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.874172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.874172 (E_RNA) where: Base-Base interactions energy: -20.139 where: short stacking energy: -16.694 Base-Backbone interact. energy: -0.083 local terms energy: -38.652638 where: bonds (distance) C4'-P energy: -10.893 bonds (distance) P-C4' energy: -9.313 flat angles C4'-P-C4' energy: -7.544 flat angles P-C4'-P energy: -8.737 tors. eta vs tors. theta energy: -2.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -204.526484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.526484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.526484 (E_RNA) where: Base-Base interactions energy: -138.814 where: short stacking energy: -60.290 Base-Backbone interact. energy: -0.009 local terms energy: -65.703599 where: bonds (distance) C4'-P energy: -13.904 bonds (distance) P-C4' energy: -11.610 flat angles C4'-P-C4' energy: -14.013 flat angles P-C4'-P energy: -11.408 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: 2, replica: 9 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -199.501028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.501028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.501028 (E_RNA) where: Base-Base interactions energy: -137.569 where: short stacking energy: -55.627 Base-Backbone interact. energy: -0.289 local terms energy: -61.642727 where: bonds (distance) C4'-P energy: -12.849 bonds (distance) P-C4' energy: -11.501 flat angles C4'-P-C4' energy: -13.515 flat angles P-C4'-P energy: -9.677 tors. eta vs tors. theta energy: -14.102 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: 3, replica: 1 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -197.711559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.711559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.711559 (E_RNA) where: Base-Base interactions energy: -135.057 where: short stacking energy: -60.503 Base-Backbone interact. energy: -0.022 local terms energy: -62.632110 where: bonds (distance) C4'-P energy: -13.354 bonds (distance) P-C4' energy: -9.904 flat angles C4'-P-C4' energy: -14.661 flat angles P-C4'-P energy: -8.883 tors. eta vs tors. theta energy: -15.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -192.080186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.080186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.080186 (E_RNA) where: Base-Base interactions energy: -131.585 where: short stacking energy: -55.521 Base-Backbone interact. energy: -0.093 local terms energy: -60.402484 where: bonds (distance) C4'-P energy: -11.027 bonds (distance) P-C4' energy: -11.247 flat angles C4'-P-C4' energy: -11.856 flat angles P-C4'-P energy: -8.012 tors. eta vs tors. theta energy: -18.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -189.182051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.182051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.182051 (E_RNA) where: Base-Base interactions energy: -127.660 where: short stacking energy: -52.872 Base-Backbone interact. energy: -0.035 local terms energy: -61.486835 where: bonds (distance) C4'-P energy: -13.478 bonds (distance) P-C4' energy: -10.587 flat angles C4'-P-C4' energy: -12.113 flat angles P-C4'-P energy: -11.832 tors. eta vs tors. theta energy: -13.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -172.387593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.387593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.387593 (E_RNA) where: Base-Base interactions energy: -127.552 where: short stacking energy: -50.711 Base-Backbone interact. energy: -0.003 local terms energy: -44.832488 where: bonds (distance) C4'-P energy: -6.075 bonds (distance) P-C4' energy: -3.957 flat angles C4'-P-C4' energy: -13.835 flat angles P-C4'-P energy: -7.765 tors. eta vs tors. theta energy: -13.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -184.884650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.884650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.884650 (E_RNA) where: Base-Base interactions energy: -123.845 where: short stacking energy: -53.357 Base-Backbone interact. energy: -0.442 local terms energy: -60.597548 where: bonds (distance) C4'-P energy: -10.480 bonds (distance) P-C4' energy: -11.881 flat angles C4'-P-C4' energy: -12.075 flat angles P-C4'-P energy: -9.645 tors. eta vs tors. theta energy: -16.516 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: 6 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -165.349748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.349748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.349748 (E_RNA) where: Base-Base interactions energy: -117.436 where: short stacking energy: -52.566 Base-Backbone interact. energy: -0.064 local terms energy: -47.850364 where: bonds (distance) C4'-P energy: -10.709 bonds (distance) P-C4' energy: -9.147 flat angles C4'-P-C4' energy: -6.695 flat angles P-C4'-P energy: -8.770 tors. eta vs tors. theta energy: -12.529 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: 9, replica: 3 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -80.134572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.134572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.134572 (E_RNA) where: Base-Base interactions energy: -36.169 where: short stacking energy: -36.169 Base-Backbone interact. energy: -0.099 local terms energy: -43.865873 where: bonds (distance) C4'-P energy: -6.863 bonds (distance) P-C4' energy: -13.088 flat angles C4'-P-C4' energy: -9.268 flat angles P-C4'-P energy: -5.850 tors. eta vs tors. theta energy: -8.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -57.962544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.962544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.962544 (E_RNA) where: Base-Base interactions energy: -17.100 where: short stacking energy: -12.669 Base-Backbone interact. energy: 0.140 local terms energy: -41.002597 where: bonds (distance) C4'-P energy: -13.594 bonds (distance) P-C4' energy: -8.382 flat angles C4'-P-C4' energy: -14.262 flat angles P-C4'-P energy: -7.006 tors. eta vs tors. theta energy: 2.241 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: 1, replica: 9 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -201.717993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.717993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.717993 (E_RNA) where: Base-Base interactions energy: -135.243 where: short stacking energy: -58.148 Base-Backbone interact. energy: -0.593 local terms energy: -65.881436 where: bonds (distance) C4'-P energy: -11.702 bonds (distance) P-C4' energy: -13.432 flat angles C4'-P-C4' energy: -11.925 flat angles P-C4'-P energy: -10.973 tors. eta vs tors. theta energy: -17.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -199.265437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.265437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.265437 (E_RNA) where: Base-Base interactions energy: -134.233 where: short stacking energy: -52.090 Base-Backbone interact. energy: -0.006 local terms energy: -65.026244 where: bonds (distance) C4'-P energy: -12.667 bonds (distance) P-C4' energy: -12.820 flat angles C4'-P-C4' energy: -14.248 flat angles P-C4'-P energy: -8.926 tors. eta vs tors. theta energy: -16.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -196.499148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.499148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.499148 (E_RNA) where: Base-Base interactions energy: -143.911 where: short stacking energy: -60.146 Base-Backbone interact. energy: -0.004 local terms energy: -52.584492 where: bonds (distance) C4'-P energy: -6.192 bonds (distance) P-C4' energy: -11.566 flat angles C4'-P-C4' energy: -13.297 flat angles P-C4'-P energy: -7.306 tors. eta vs tors. theta energy: -14.223 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: 10 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -193.592151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.592151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.592151 (E_RNA) where: Base-Base interactions energy: -133.889 where: short stacking energy: -56.157 Base-Backbone interact. energy: -0.006 local terms energy: -59.696785 where: bonds (distance) C4'-P energy: -12.175 bonds (distance) P-C4' energy: -13.901 flat angles C4'-P-C4' energy: -8.909 flat angles P-C4'-P energy: -9.670 tors. eta vs tors. theta energy: -15.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -187.259578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.259578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.259578 (E_RNA) where: Base-Base interactions energy: -124.951 where: short stacking energy: -53.321 Base-Backbone interact. energy: -0.001 local terms energy: -62.307352 where: bonds (distance) C4'-P energy: -11.715 bonds (distance) P-C4' energy: -11.290 flat angles C4'-P-C4' energy: -12.866 flat angles P-C4'-P energy: -8.968 tors. eta vs tors. theta energy: -17.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -192.566842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.566842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.566842 (E_RNA) where: Base-Base interactions energy: -132.276 where: short stacking energy: -55.764 Base-Backbone interact. energy: -0.002 local terms energy: -60.288854 where: bonds (distance) C4'-P energy: -12.111 bonds (distance) P-C4' energy: -15.556 flat angles C4'-P-C4' energy: -14.135 flat angles P-C4'-P energy: -2.503 tors. eta vs tors. theta energy: -15.984 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: 286 Temperature: 1.200000 Total energy: -176.769797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.769797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.769797 (E_RNA) where: Base-Base interactions energy: -119.002 where: short stacking energy: -58.427 Base-Backbone interact. energy: -0.013 local terms energy: -57.754514 where: bonds (distance) C4'-P energy: -11.341 bonds (distance) P-C4' energy: -11.711 flat angles C4'-P-C4' energy: -11.853 flat angles P-C4'-P energy: -4.770 tors. eta vs tors. theta energy: -18.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -170.618512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.618512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.618512 (E_RNA) where: Base-Base interactions energy: -116.683 where: short stacking energy: -50.342 Base-Backbone interact. energy: -0.016 local terms energy: -53.920004 where: bonds (distance) C4'-P energy: -11.599 bonds (distance) P-C4' energy: -9.890 flat angles C4'-P-C4' energy: -11.056 flat angles P-C4'-P energy: -8.657 tors. eta vs tors. theta energy: -12.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -76.000609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.000609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.000609 (E_RNA) where: Base-Base interactions energy: -36.654 where: short stacking energy: -13.027 Base-Backbone interact. energy: -0.418 local terms energy: -38.928619 where: bonds (distance) C4'-P energy: -6.267 bonds (distance) P-C4' energy: -14.851 flat angles C4'-P-C4' energy: -12.982 flat angles P-C4'-P energy: -8.489 tors. eta vs tors. theta energy: 3.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -62.300941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.300941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.300941 (E_RNA) where: Base-Base interactions energy: -26.772 where: short stacking energy: -20.486 Base-Backbone interact. energy: -0.057 local terms energy: -35.472447 where: bonds (distance) C4'-P energy: -6.966 bonds (distance) P-C4' energy: -13.564 flat angles C4'-P-C4' energy: -7.786 flat angles P-C4'-P energy: -5.092 tors. eta vs tors. theta energy: -2.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -203.171063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.171063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.171063 (E_RNA) where: Base-Base interactions energy: -138.761 where: short stacking energy: -62.014 Base-Backbone interact. energy: -0.013 local terms energy: -64.397027 where: bonds (distance) C4'-P energy: -12.390 bonds (distance) P-C4' energy: -12.659 flat angles C4'-P-C4' energy: -12.596 flat angles P-C4'-P energy: -11.941 tors. eta vs tors. theta energy: -14.811 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: 287 Temperature: 0.950000 Total energy: -198.452565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.452565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.452565 (E_RNA) where: Base-Base interactions energy: -136.869 where: short stacking energy: -55.766 Base-Backbone interact. energy: -0.001 local terms energy: -61.583413 where: bonds (distance) C4'-P energy: -11.567 bonds (distance) P-C4' energy: -12.603 flat angles C4'-P-C4' energy: -12.731 flat angles P-C4'-P energy: -9.917 tors. eta vs tors. theta energy: -14.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -196.565124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.565124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.565124 (E_RNA) where: Base-Base interactions energy: -136.056 where: short stacking energy: -56.603 Base-Backbone interact. energy: -0.085 local terms energy: -60.424287 where: bonds (distance) C4'-P energy: -11.971 bonds (distance) P-C4' energy: -12.171 flat angles C4'-P-C4' energy: -12.680 flat angles P-C4'-P energy: -9.134 tors. eta vs tors. theta energy: -14.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -196.240227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.240227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.240227 (E_RNA) where: Base-Base interactions energy: -137.925 where: short stacking energy: -56.425 Base-Backbone interact. energy: -0.068 local terms energy: -58.247089 where: bonds (distance) C4'-P energy: -10.399 bonds (distance) P-C4' energy: -11.936 flat angles C4'-P-C4' energy: -11.153 flat angles P-C4'-P energy: -8.399 tors. eta vs tors. theta energy: -16.361 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: 10 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -194.407646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.407646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.407646 (E_RNA) where: Base-Base interactions energy: -132.399 where: short stacking energy: -53.232 Base-Backbone interact. energy: -0.001 local terms energy: -62.007995 where: bonds (distance) C4'-P energy: -11.834 bonds (distance) P-C4' energy: -14.610 flat angles C4'-P-C4' energy: -11.019 flat angles P-C4'-P energy: -10.370 tors. eta vs tors. theta energy: -14.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -178.873263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.873263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.873263 (E_RNA) where: Base-Base interactions energy: -122.113 where: short stacking energy: -53.932 Base-Backbone interact. energy: -0.039 local terms energy: -56.720577 where: bonds (distance) C4'-P energy: -13.467 bonds (distance) P-C4' energy: -7.894 flat angles C4'-P-C4' energy: -12.321 flat angles P-C4'-P energy: -11.040 tors. eta vs tors. theta energy: -11.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -172.716751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.716751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.716751 (E_RNA) where: Base-Base interactions energy: -115.651 where: short stacking energy: -47.097 Base-Backbone interact. energy: -0.011 local terms energy: -57.055265 where: bonds (distance) C4'-P energy: -14.108 bonds (distance) P-C4' energy: -8.249 flat angles C4'-P-C4' energy: -11.364 flat angles P-C4'-P energy: -9.926 tors. eta vs tors. theta energy: -13.409 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: 8, replica: 5 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -179.281937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.281937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.281937 (E_RNA) where: Base-Base interactions energy: -125.210 where: short stacking energy: -49.236 Base-Backbone interact. energy: -0.003 local terms energy: -54.068573 where: bonds (distance) C4'-P energy: -11.528 bonds (distance) P-C4' energy: -10.419 flat angles C4'-P-C4' energy: -10.546 flat angles P-C4'-P energy: -7.197 tors. eta vs tors. theta energy: -14.378 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: 8 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -69.930000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.930000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.930000 (E_RNA) where: Base-Base interactions energy: -32.790 where: short stacking energy: -24.883 Base-Backbone interact. energy: -0.107 local terms energy: -37.032894 where: bonds (distance) C4'-P energy: -8.990 bonds (distance) P-C4' energy: -9.880 flat angles C4'-P-C4' energy: -9.997 flat angles P-C4'-P energy: -5.921 tors. eta vs tors. theta energy: -2.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -63.698204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.698204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.698204 (E_RNA) where: Base-Base interactions energy: -23.447 where: short stacking energy: -21.976 Base-Backbone interact. energy: -0.303 local terms energy: -39.948246 where: bonds (distance) C4'-P energy: -13.760 bonds (distance) P-C4' energy: -12.405 flat angles C4'-P-C4' energy: -4.110 flat angles P-C4'-P energy: -7.259 tors. eta vs tors. theta energy: -2.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -204.122677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.122677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.122677 (E_RNA) where: Base-Base interactions energy: -136.641 where: short stacking energy: -59.167 Base-Backbone interact. energy: -0.043 local terms energy: -67.438228 where: bonds (distance) C4'-P energy: -12.166 bonds (distance) P-C4' energy: -13.600 flat angles C4'-P-C4' energy: -15.229 flat angles P-C4'-P energy: -11.422 tors. eta vs tors. theta energy: -15.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -202.249350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.249350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.249350 (E_RNA) where: Base-Base interactions energy: -134.959 where: short stacking energy: -56.441 Base-Backbone interact. energy: -0.156 local terms energy: -67.133803 where: bonds (distance) C4'-P energy: -12.811 bonds (distance) P-C4' energy: -14.558 flat angles C4'-P-C4' energy: -13.193 flat angles P-C4'-P energy: -9.923 tors. eta vs tors. theta energy: -16.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -195.836055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.836055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.836055 (E_RNA) where: Base-Base interactions energy: -139.150 where: short stacking energy: -58.574 Base-Backbone interact. energy: -0.003 local terms energy: -56.683768 where: bonds (distance) C4'-P energy: -9.222 bonds (distance) P-C4' energy: -14.498 flat angles C4'-P-C4' energy: -11.864 flat angles P-C4'-P energy: -7.272 tors. eta vs tors. theta energy: -13.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -196.304478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.304478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.304478 (E_RNA) where: Base-Base interactions energy: -134.107 where: short stacking energy: -53.692 Base-Backbone interact. energy: -0.005 local terms energy: -62.191738 where: bonds (distance) C4'-P energy: -13.396 bonds (distance) P-C4' energy: -9.902 flat angles C4'-P-C4' energy: -14.474 flat angles P-C4'-P energy: -9.360 tors. eta vs tors. theta energy: -15.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -193.131205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.131205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.131205 (E_RNA) where: Base-Base interactions energy: -131.884 where: short stacking energy: -50.498 Base-Backbone interact. energy: -0.102 local terms energy: -61.145561 where: bonds (distance) C4'-P energy: -6.763 bonds (distance) P-C4' energy: -13.551 flat angles C4'-P-C4' energy: -13.864 flat angles P-C4'-P energy: -9.714 tors. eta vs tors. theta energy: -17.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -181.073036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.073036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.073036 (E_RNA) where: Base-Base interactions energy: -121.393 where: short stacking energy: -56.081 Base-Backbone interact. energy: -0.870 local terms energy: -58.810551 where: bonds (distance) C4'-P energy: -11.712 bonds (distance) P-C4' energy: -10.390 flat angles C4'-P-C4' energy: -15.017 flat angles P-C4'-P energy: -8.018 tors. eta vs tors. theta energy: -13.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -186.219313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.219313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.219313 (E_RNA) where: Base-Base interactions energy: -131.605 where: short stacking energy: -57.066 Base-Backbone interact. energy: -0.772 local terms energy: -53.842849 where: bonds (distance) C4'-P energy: -12.559 bonds (distance) P-C4' energy: -9.548 flat angles C4'-P-C4' energy: -10.835 flat angles P-C4'-P energy: -7.024 tors. eta vs tors. theta energy: -13.877 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: 4 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -167.680514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.680514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.680514 (E_RNA) where: Base-Base interactions energy: -118.635 where: short stacking energy: -47.740 Base-Backbone interact. energy: -0.250 local terms energy: -48.795181 where: bonds (distance) C4'-P energy: -11.409 bonds (distance) P-C4' energy: -13.509 flat angles C4'-P-C4' energy: -5.952 flat angles P-C4'-P energy: -7.735 tors. eta vs tors. theta energy: -10.190 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: 9, replica: 3 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -68.111535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.111535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.111535 (E_RNA) where: Base-Base interactions energy: -28.906 where: short stacking energy: -21.252 Base-Backbone interact. energy: 0.631 local terms energy: -39.836114 where: bonds (distance) C4'-P energy: -9.194 bonds (distance) P-C4' energy: -11.465 flat angles C4'-P-C4' energy: -8.535 flat angles P-C4'-P energy: -10.583 tors. eta vs tors. theta energy: -0.061 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: 8 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -64.873844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.873844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.873844 (E_RNA) where: Base-Base interactions energy: -24.933 where: short stacking energy: -23.206 Base-Backbone interact. energy: 0.129 local terms energy: -40.069929 where: bonds (distance) C4'-P energy: -11.834 bonds (distance) P-C4' energy: -10.027 flat angles C4'-P-C4' energy: -7.470 flat angles P-C4'-P energy: -7.247 tors. eta vs tors. theta energy: -3.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -205.313347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.313347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.313347 (E_RNA) where: Base-Base interactions energy: -143.691 where: short stacking energy: -61.181 Base-Backbone interact. energy: 0.627 local terms energy: -62.249566 where: bonds (distance) C4'-P energy: -11.099 bonds (distance) P-C4' energy: -12.619 flat angles C4'-P-C4' energy: -15.514 flat angles P-C4'-P energy: -6.464 tors. eta vs tors. theta energy: -16.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -203.741587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.741587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.741587 (E_RNA) where: Base-Base interactions energy: -140.743 where: short stacking energy: -58.337 Base-Backbone interact. energy: -0.001 local terms energy: -62.998073 where: bonds (distance) C4'-P energy: -11.827 bonds (distance) P-C4' energy: -14.557 flat angles C4'-P-C4' energy: -13.209 flat angles P-C4'-P energy: -8.040 tors. eta vs tors. theta energy: -15.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -195.242871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.242871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.242871 (E_RNA) where: Base-Base interactions energy: -130.981 where: short stacking energy: -56.968 Base-Backbone interact. energy: -0.001 local terms energy: -64.260996 where: bonds (distance) C4'-P energy: -12.270 bonds (distance) P-C4' energy: -13.606 flat angles C4'-P-C4' energy: -13.933 flat angles P-C4'-P energy: -8.241 tors. eta vs tors. theta energy: -16.211 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: 2 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -193.386041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.386041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.386041 (E_RNA) where: Base-Base interactions energy: -135.255 where: short stacking energy: -54.090 Base-Backbone interact. energy: -0.000 local terms energy: -58.131165 where: bonds (distance) C4'-P energy: -13.879 bonds (distance) P-C4' energy: -12.490 flat angles C4'-P-C4' energy: -12.690 flat angles P-C4'-P energy: -4.495 tors. eta vs tors. theta energy: -14.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -185.978510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.978510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.978510 (E_RNA) where: Base-Base interactions energy: -133.428 where: short stacking energy: -54.982 Base-Backbone interact. energy: -0.046 local terms energy: -52.503791 where: bonds (distance) C4'-P energy: -7.812 bonds (distance) P-C4' energy: -12.383 flat angles C4'-P-C4' energy: -12.768 flat angles P-C4'-P energy: -6.259 tors. eta vs tors. theta energy: -13.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -181.197055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.197055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.197055 (E_RNA) where: Base-Base interactions energy: -125.498 where: short stacking energy: -52.110 Base-Backbone interact. energy: -0.180 local terms energy: -55.519255 where: bonds (distance) C4'-P energy: -10.477 bonds (distance) P-C4' energy: -11.680 flat angles C4'-P-C4' energy: -9.514 flat angles P-C4'-P energy: -8.203 tors. eta vs tors. theta energy: -15.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -192.761360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.761360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.761360 (E_RNA) where: Base-Base interactions energy: -133.344 where: short stacking energy: -57.236 Base-Backbone interact. energy: -0.012 local terms energy: -59.405466 where: bonds (distance) C4'-P energy: -12.008 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -14.299 flat angles P-C4'-P energy: -8.464 tors. eta vs tors. theta energy: -16.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -64.328252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.328252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.328252 (E_RNA) where: Base-Base interactions energy: -29.824 where: short stacking energy: -24.968 Base-Backbone interact. energy: -0.209 local terms energy: -34.295574 where: bonds (distance) C4'-P energy: -11.951 bonds (distance) P-C4' energy: -9.435 flat angles C4'-P-C4' energy: -7.366 flat angles P-C4'-P energy: -4.555 tors. eta vs tors. theta energy: -0.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -167.341095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.341095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.341095 (E_RNA) where: Base-Base interactions energy: -112.700 where: short stacking energy: -43.236 Base-Backbone interact. energy: -0.001 local terms energy: -54.640068 where: bonds (distance) C4'-P energy: -10.406 bonds (distance) P-C4' energy: -11.387 flat angles C4'-P-C4' energy: -11.693 flat angles P-C4'-P energy: -8.945 tors. eta vs tors. theta energy: -12.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -64.440934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.440934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.440934 (E_RNA) where: Base-Base interactions energy: -23.769 where: short stacking energy: -23.769 Base-Backbone interact. energy: -0.077 local terms energy: -40.595358 where: bonds (distance) C4'-P energy: -12.696 bonds (distance) P-C4' energy: -14.212 flat angles C4'-P-C4' energy: -8.596 flat angles P-C4'-P energy: -2.556 tors. eta vs tors. theta energy: -2.535 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: 7 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -202.278322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.278322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.278322 (E_RNA) where: Base-Base interactions energy: -138.237 where: short stacking energy: -59.974 Base-Backbone interact. energy: -0.000 local terms energy: -64.041396 where: bonds (distance) C4'-P energy: -12.221 bonds (distance) P-C4' energy: -13.974 flat angles C4'-P-C4' energy: -11.228 flat angles P-C4'-P energy: -9.629 tors. eta vs tors. theta energy: -16.989 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: 1 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -200.906803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.906803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.906803 (E_RNA) where: Base-Base interactions energy: -139.162 where: short stacking energy: -55.006 Base-Backbone interact. energy: -0.000 local terms energy: -61.744347 where: bonds (distance) C4'-P energy: -12.717 bonds (distance) P-C4' energy: -12.951 flat angles C4'-P-C4' energy: -13.819 flat angles P-C4'-P energy: -6.137 tors. eta vs tors. theta energy: -16.120 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: 2 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -195.307094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.307094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.307094 (E_RNA) where: Base-Base interactions energy: -128.444 where: short stacking energy: -50.107 Base-Backbone interact. energy: -0.014 local terms energy: -66.848447 where: bonds (distance) C4'-P energy: -12.821 bonds (distance) P-C4' energy: -12.451 flat angles C4'-P-C4' energy: -15.106 flat angles P-C4'-P energy: -10.986 tors. eta vs tors. theta energy: -15.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -196.069747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.069747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.069747 (E_RNA) where: Base-Base interactions energy: -135.262 where: short stacking energy: -58.789 Base-Backbone interact. energy: -0.251 local terms energy: -60.556768 where: bonds (distance) C4'-P energy: -11.798 bonds (distance) P-C4' energy: -12.433 flat angles C4'-P-C4' energy: -10.740 flat angles P-C4'-P energy: -9.666 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: 5, replica: 6 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -179.136186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.136186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.136186 (E_RNA) where: Base-Base interactions energy: -116.328 where: short stacking energy: -48.089 Base-Backbone interact. energy: -0.122 local terms energy: -62.686088 where: bonds (distance) C4'-P energy: -10.514 bonds (distance) P-C4' energy: -12.877 flat angles C4'-P-C4' energy: -14.175 flat angles P-C4'-P energy: -9.717 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: 6, replica: 5 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -171.309729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.309729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.309729 (E_RNA) where: Base-Base interactions energy: -124.867 where: short stacking energy: -52.563 Base-Backbone interact. energy: -0.307 local terms energy: -46.135700 where: bonds (distance) C4'-P energy: -9.786 bonds (distance) P-C4' energy: -9.487 flat angles C4'-P-C4' energy: -9.592 flat angles P-C4'-P energy: -5.367 tors. eta vs tors. theta energy: -11.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -192.563441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.563441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.563441 (E_RNA) where: Base-Base interactions energy: -132.139 where: short stacking energy: -53.314 Base-Backbone interact. energy: -0.007 local terms energy: -60.416621 where: bonds (distance) C4'-P energy: -12.009 bonds (distance) P-C4' energy: -13.634 flat angles C4'-P-C4' energy: -12.739 flat angles P-C4'-P energy: -6.789 tors. eta vs tors. theta energy: -15.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -84.679551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.679551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.679551 (E_RNA) where: Base-Base interactions energy: -37.957 where: short stacking energy: -23.141 Base-Backbone interact. energy: -0.216 local terms energy: -46.506238 where: bonds (distance) C4'-P energy: -13.123 bonds (distance) P-C4' energy: -9.995 flat angles C4'-P-C4' energy: -12.102 flat angles P-C4'-P energy: -4.175 tors. eta vs tors. theta energy: -7.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -159.538068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.538068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.538068 (E_RNA) where: Base-Base interactions energy: -114.042 where: short stacking energy: -39.077 Base-Backbone interact. energy: -0.208 local terms energy: -45.288277 where: bonds (distance) C4'-P energy: -9.491 bonds (distance) P-C4' energy: -12.476 flat angles C4'-P-C4' energy: -10.044 flat angles P-C4'-P energy: -3.654 tors. eta vs tors. theta energy: -9.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -66.583744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.583744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.583744 (E_RNA) where: Base-Base interactions energy: -22.380 where: short stacking energy: -19.267 Base-Backbone interact. energy: -0.175 local terms energy: -44.028067 where: bonds (distance) C4'-P energy: -10.352 bonds (distance) P-C4' energy: -10.790 flat angles C4'-P-C4' energy: -12.358 flat angles P-C4'-P energy: -6.850 tors. eta vs tors. theta energy: -3.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -200.560971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.560971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.560971 (E_RNA) where: Base-Base interactions energy: -136.408 where: short stacking energy: -55.890 Base-Backbone interact. energy: -0.002 local terms energy: -64.150990 where: bonds (distance) C4'-P energy: -13.086 bonds (distance) P-C4' energy: -13.019 flat angles C4'-P-C4' energy: -13.732 flat angles P-C4'-P energy: -9.808 tors. eta vs tors. theta energy: -14.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -201.098667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.098667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.098667 (E_RNA) where: Base-Base interactions energy: -137.875 where: short stacking energy: -61.084 Base-Backbone interact. energy: -0.005 local terms energy: -63.218663 where: bonds (distance) C4'-P energy: -13.694 bonds (distance) P-C4' energy: -13.343 flat angles C4'-P-C4' energy: -13.800 flat angles P-C4'-P energy: -6.315 tors. eta vs tors. theta energy: -16.067 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: 2 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -192.066864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.066864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.066864 (E_RNA) where: Base-Base interactions energy: -126.827 where: short stacking energy: -57.083 Base-Backbone interact. energy: 0.023 local terms energy: -65.262913 where: bonds (distance) C4'-P energy: -11.748 bonds (distance) P-C4' energy: -13.681 flat angles C4'-P-C4' energy: -13.528 flat angles P-C4'-P energy: -8.829 tors. eta vs tors. theta energy: -17.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -193.148351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.148351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.148351 (E_RNA) where: Base-Base interactions energy: -134.730 where: short stacking energy: -56.376 Base-Backbone interact. energy: -0.000 local terms energy: -58.418123 where: bonds (distance) C4'-P energy: -12.724 bonds (distance) P-C4' energy: -8.096 flat angles C4'-P-C4' energy: -12.022 flat angles P-C4'-P energy: -8.858 tors. eta vs tors. theta energy: -16.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -188.377696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.377696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.377696 (E_RNA) where: Base-Base interactions energy: -134.194 where: short stacking energy: -58.684 Base-Backbone interact. energy: -0.000 local terms energy: -54.183311 where: bonds (distance) C4'-P energy: -12.440 bonds (distance) P-C4' energy: -11.236 flat angles C4'-P-C4' energy: -9.357 flat angles P-C4'-P energy: -5.293 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: 6, replica: 5 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -177.645314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.645314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.645314 (E_RNA) where: Base-Base interactions energy: -122.111 where: short stacking energy: -39.681 Base-Backbone interact. energy: -0.018 local terms energy: -55.515823 where: bonds (distance) C4'-P energy: -9.923 bonds (distance) P-C4' energy: -13.286 flat angles C4'-P-C4' energy: -13.413 flat angles P-C4'-P energy: -8.872 tors. eta vs tors. theta energy: -10.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -166.297422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.297422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.297422 (E_RNA) where: Base-Base interactions energy: -112.643 where: short stacking energy: -46.173 Base-Backbone interact. energy: -0.798 local terms energy: -52.856357 where: bonds (distance) C4'-P energy: -9.445 bonds (distance) P-C4' energy: -12.067 flat angles C4'-P-C4' energy: -10.297 flat angles P-C4'-P energy: -9.045 tors. eta vs tors. theta energy: -12.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -166.401631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.401631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.401631 (E_RNA) where: Base-Base interactions energy: -118.128 where: short stacking energy: -50.304 Base-Backbone interact. energy: -0.007 local terms energy: -48.266679 where: bonds (distance) C4'-P energy: -5.542 bonds (distance) P-C4' energy: -10.426 flat angles C4'-P-C4' energy: -11.465 flat angles P-C4'-P energy: -6.281 tors. eta vs tors. theta energy: -14.553 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: 3 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -82.088121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.088121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.088121 (E_RNA) where: Base-Base interactions energy: -42.390 where: short stacking energy: -26.960 Base-Backbone interact. energy: -0.254 local terms energy: -39.443869 where: bonds (distance) C4'-P energy: -10.079 bonds (distance) P-C4' energy: -10.620 flat angles C4'-P-C4' energy: -6.213 flat angles P-C4'-P energy: -8.753 tors. eta vs tors. theta energy: -3.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -67.375140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.375140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.375140 (E_RNA) where: Base-Base interactions energy: -28.128 where: short stacking energy: -21.526 Base-Backbone interact. energy: -0.010 local terms energy: -39.237548 where: bonds (distance) C4'-P energy: -9.189 bonds (distance) P-C4' energy: -11.588 flat angles C4'-P-C4' energy: -7.743 flat angles P-C4'-P energy: -2.878 tors. eta vs tors. theta energy: -7.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -205.575178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.575178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.575178 (E_RNA) where: Base-Base interactions energy: -139.499 where: short stacking energy: -60.047 Base-Backbone interact. energy: -0.000 local terms energy: -66.075512 where: bonds (distance) C4'-P energy: -13.131 bonds (distance) P-C4' energy: -14.889 flat angles C4'-P-C4' energy: -14.418 flat angles P-C4'-P energy: -8.925 tors. eta vs tors. theta energy: -14.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -203.782941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.782941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.782941 (E_RNA) where: Base-Base interactions energy: -134.393 where: short stacking energy: -61.355 Base-Backbone interact. energy: -0.007 local terms energy: -69.383215 where: bonds (distance) C4'-P energy: -14.413 bonds (distance) P-C4' energy: -13.873 flat angles C4'-P-C4' energy: -13.928 flat angles P-C4'-P energy: -10.022 tors. eta vs tors. theta energy: -17.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -199.596184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.596184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.596184 (E_RNA) where: Base-Base interactions energy: -136.859 where: short stacking energy: -57.562 Base-Backbone interact. energy: -0.005 local terms energy: -62.731926 where: bonds (distance) C4'-P energy: -12.254 bonds (distance) P-C4' energy: -13.712 flat angles C4'-P-C4' energy: -12.274 flat angles P-C4'-P energy: -8.523 tors. eta vs tors. theta energy: -15.969 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: 4, replica: 2 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -189.684472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.684472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.684472 (E_RNA) where: Base-Base interactions energy: -132.162 where: short stacking energy: -55.338 Base-Backbone interact. energy: -0.077 local terms energy: -57.445599 where: bonds (distance) C4'-P energy: -12.162 bonds (distance) P-C4' energy: -12.926 flat angles C4'-P-C4' energy: -9.014 flat angles P-C4'-P energy: -8.540 tors. eta vs tors. theta energy: -14.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -188.437128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.437128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.437128 (E_RNA) where: Base-Base interactions energy: -134.454 where: short stacking energy: -55.421 Base-Backbone interact. energy: -0.004 local terms energy: -53.978965 where: bonds (distance) C4'-P energy: -11.342 bonds (distance) P-C4' energy: -11.502 flat angles C4'-P-C4' energy: -12.807 flat angles P-C4'-P energy: -7.701 tors. eta vs tors. theta energy: -10.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -186.503250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.503250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.503250 (E_RNA) where: Base-Base interactions energy: -130.792 where: short stacking energy: -53.124 Base-Backbone interact. energy: -0.000 local terms energy: -55.711370 where: bonds (distance) C4'-P energy: -13.246 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -8.813 flat angles P-C4'-P energy: -9.828 tors. eta vs tors. theta energy: -14.759 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: 7, replica: 4 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -167.763747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.763747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.763747 (E_RNA) where: Base-Base interactions energy: -115.913 where: short stacking energy: -44.381 Base-Backbone interact. energy: -0.118 local terms energy: -51.732880 where: bonds (distance) C4'-P energy: -12.403 bonds (distance) P-C4' energy: -10.717 flat angles C4'-P-C4' energy: -11.853 flat angles P-C4'-P energy: -9.252 tors. eta vs tors. theta energy: -7.508 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: 10 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -165.052278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.052278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.052278 (E_RNA) where: Base-Base interactions energy: -109.894 where: short stacking energy: -41.839 Base-Backbone interact. energy: -0.465 local terms energy: -54.693454 where: bonds (distance) C4'-P energy: -11.848 bonds (distance) P-C4' energy: -10.418 flat angles C4'-P-C4' energy: -12.945 flat angles P-C4'-P energy: -9.324 tors. eta vs tors. theta energy: -10.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -73.533331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.533331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.533331 (E_RNA) where: Base-Base interactions energy: -29.571 where: short stacking energy: -28.649 Base-Backbone interact. energy: -0.146 local terms energy: -43.816511 where: bonds (distance) C4'-P energy: -10.796 bonds (distance) P-C4' energy: -12.809 flat angles C4'-P-C4' energy: -10.444 flat angles P-C4'-P energy: -3.067 tors. eta vs tors. theta energy: -6.701 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: 10, replica: 3 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -75.930775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.930775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.930775 (E_RNA) where: Base-Base interactions energy: -43.033 where: short stacking energy: -18.853 Base-Backbone interact. energy: -0.180 local terms energy: -32.717484 where: bonds (distance) C4'-P energy: -10.414 bonds (distance) P-C4' energy: -6.343 flat angles C4'-P-C4' energy: -9.405 flat angles P-C4'-P energy: -5.943 tors. eta vs tors. theta energy: -0.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -202.418272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.418272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.418272 (E_RNA) where: Base-Base interactions energy: -139.157 where: short stacking energy: -59.300 Base-Backbone interact. energy: -0.001 local terms energy: -63.260441 where: bonds (distance) C4'-P energy: -10.667 bonds (distance) P-C4' energy: -14.527 flat angles C4'-P-C4' energy: -14.366 flat angles P-C4'-P energy: -8.562 tors. eta vs tors. theta energy: -15.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -199.529491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.529491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.529491 (E_RNA) where: Base-Base interactions energy: -137.899 where: short stacking energy: -61.416 Base-Backbone interact. energy: -0.000 local terms energy: -61.630317 where: bonds (distance) C4'-P energy: -11.095 bonds (distance) P-C4' energy: -9.304 flat angles C4'-P-C4' energy: -13.863 flat angles P-C4'-P energy: -9.582 tors. eta vs tors. theta energy: -17.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -198.285776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.285776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.285776 (E_RNA) where: Base-Base interactions energy: -133.912 where: short stacking energy: -54.574 Base-Backbone interact. energy: -0.684 local terms energy: -63.689310 where: bonds (distance) C4'-P energy: -11.967 bonds (distance) P-C4' energy: -12.134 flat angles C4'-P-C4' energy: -13.012 flat angles P-C4'-P energy: -9.908 tors. eta vs tors. theta energy: -16.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -186.069743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.069743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.069743 (E_RNA) where: Base-Base interactions energy: -130.803 where: short stacking energy: -50.437 Base-Backbone interact. energy: 0.514 local terms energy: -55.780892 where: bonds (distance) C4'-P energy: -12.633 bonds (distance) P-C4' energy: -13.490 flat angles C4'-P-C4' energy: -13.689 flat angles P-C4'-P energy: -4.243 tors. eta vs tors. theta energy: -11.726 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: 5 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -188.562437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.562437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.562437 (E_RNA) where: Base-Base interactions energy: -129.698 where: short stacking energy: -52.011 Base-Backbone interact. energy: -0.128 local terms energy: -58.736249 where: bonds (distance) C4'-P energy: -12.133 bonds (distance) P-C4' energy: -10.817 flat angles C4'-P-C4' energy: -14.309 flat angles P-C4'-P energy: -6.023 tors. eta vs tors. theta energy: -15.454 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: 4 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -179.954191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.954191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.954191 (E_RNA) where: Base-Base interactions energy: -125.991 where: short stacking energy: -56.004 Base-Backbone interact. energy: -0.002 local terms energy: -53.960432 where: bonds (distance) C4'-P energy: -10.531 bonds (distance) P-C4' energy: -7.423 flat angles C4'-P-C4' energy: -12.211 flat angles P-C4'-P energy: -8.087 tors. eta vs tors. theta energy: -15.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -178.453937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.453937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.453937 (E_RNA) where: Base-Base interactions energy: -118.888 where: short stacking energy: -47.729 Base-Backbone interact. energy: -0.000 local terms energy: -59.565504 where: bonds (distance) C4'-P energy: -8.249 bonds (distance) P-C4' energy: -14.210 flat angles C4'-P-C4' energy: -13.188 flat angles P-C4'-P energy: -8.944 tors. eta vs tors. theta energy: -14.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -68.512755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.512755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.512755 (E_RNA) where: Base-Base interactions energy: -24.614 where: short stacking energy: -23.109 Base-Backbone interact. energy: -0.020 local terms energy: -43.878055 where: bonds (distance) C4'-P energy: -9.374 bonds (distance) P-C4' energy: -14.603 flat angles C4'-P-C4' energy: -9.310 flat angles P-C4'-P energy: -5.597 tors. eta vs tors. theta energy: -4.994 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: 293 Temperature: 1.300000 Total energy: -175.300884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.300884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.300884 (E_RNA) where: Base-Base interactions energy: -120.144 where: short stacking energy: -45.727 Base-Backbone interact. energy: -0.055 local terms energy: -55.100992 where: bonds (distance) C4'-P energy: -10.911 bonds (distance) P-C4' energy: -10.562 flat angles C4'-P-C4' energy: -13.810 flat angles P-C4'-P energy: -8.604 tors. eta vs tors. theta energy: -11.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -66.558167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.558167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.558167 (E_RNA) where: Base-Base interactions energy: -24.316 where: short stacking energy: -17.985 Base-Backbone interact. energy: -0.164 local terms energy: -42.078375 where: bonds (distance) C4'-P energy: -10.150 bonds (distance) P-C4' energy: -13.361 flat angles C4'-P-C4' energy: -11.486 flat angles P-C4'-P energy: -6.251 tors. eta vs tors. theta energy: -0.830 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: 1 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -202.296823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.296823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.296823 (E_RNA) where: Base-Base interactions energy: -139.960 where: short stacking energy: -60.664 Base-Backbone interact. energy: -0.002 local terms energy: -62.334708 where: bonds (distance) C4'-P energy: -13.764 bonds (distance) P-C4' energy: -12.384 flat angles C4'-P-C4' energy: -10.939 flat angles P-C4'-P energy: -10.766 tors. eta vs tors. theta energy: -14.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -194.975453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.975453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.975453 (E_RNA) where: Base-Base interactions energy: -138.413 where: short stacking energy: -57.568 Base-Backbone interact. energy: -0.000 local terms energy: -56.561846 where: bonds (distance) C4'-P energy: -10.535 bonds (distance) P-C4' energy: -14.413 flat angles C4'-P-C4' energy: -11.254 flat angles P-C4'-P energy: -5.362 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: 3, replica: 2 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -202.737354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.737354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.737354 (E_RNA) where: Base-Base interactions energy: -140.595 where: short stacking energy: -61.360 Base-Backbone interact. energy: -0.000 local terms energy: -62.141709 where: bonds (distance) C4'-P energy: -11.355 bonds (distance) P-C4' energy: -12.162 flat angles C4'-P-C4' energy: -12.273 flat angles P-C4'-P energy: -8.164 tors. eta vs tors. theta energy: -18.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -195.815185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.815185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.815185 (E_RNA) where: Base-Base interactions energy: -137.075 where: short stacking energy: -57.129 Base-Backbone interact. energy: -0.001 local terms energy: -58.740006 where: bonds (distance) C4'-P energy: -8.722 bonds (distance) P-C4' energy: -13.723 flat angles C4'-P-C4' energy: -12.760 flat angles P-C4'-P energy: -9.080 tors. eta vs tors. theta energy: -14.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -190.176217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.176217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.176217 (E_RNA) where: Base-Base interactions energy: -131.276 where: short stacking energy: -53.869 Base-Backbone interact. energy: -0.009 local terms energy: -58.891636 where: bonds (distance) C4'-P energy: -10.697 bonds (distance) P-C4' energy: -10.971 flat angles C4'-P-C4' energy: -15.034 flat angles P-C4'-P energy: -7.417 tors. eta vs tors. theta energy: -14.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -186.942491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.942491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.942491 (E_RNA) where: Base-Base interactions energy: -135.340 where: short stacking energy: -56.585 Base-Backbone interact. energy: -0.000 local terms energy: -51.601802 where: bonds (distance) C4'-P energy: -6.088 bonds (distance) P-C4' energy: -10.782 flat angles C4'-P-C4' energy: -11.618 flat angles P-C4'-P energy: -9.437 tors. eta vs tors. theta energy: -13.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -177.242017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.242017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.242017 (E_RNA) where: Base-Base interactions energy: -127.779 where: short stacking energy: -54.348 Base-Backbone interact. energy: -0.001 local terms energy: -49.461803 where: bonds (distance) C4'-P energy: -8.453 bonds (distance) P-C4' energy: -13.156 flat angles C4'-P-C4' energy: -10.340 flat angles P-C4'-P energy: -2.209 tors. eta vs tors. theta energy: -15.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -73.351491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.351491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.351491 (E_RNA) where: Base-Base interactions energy: -30.818 where: short stacking energy: -26.262 Base-Backbone interact. energy: 0.422 local terms energy: -42.954873 where: bonds (distance) C4'-P energy: -8.018 bonds (distance) P-C4' energy: -8.963 flat angles C4'-P-C4' energy: -12.127 flat angles P-C4'-P energy: -9.613 tors. eta vs tors. theta energy: -4.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -160.697364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.697364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.697364 (E_RNA) where: Base-Base interactions energy: -109.593 where: short stacking energy: -45.058 Base-Backbone interact. energy: -0.015 local terms energy: -51.089086 where: bonds (distance) C4'-P energy: -9.579 bonds (distance) P-C4' energy: -10.823 flat angles C4'-P-C4' energy: -10.385 flat angles P-C4'-P energy: -9.195 tors. eta vs tors. theta energy: -11.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -84.249352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.249352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.249352 (E_RNA) where: Base-Base interactions energy: -40.351 where: short stacking energy: -26.150 Base-Backbone interact. energy: -0.022 local terms energy: -43.876021 where: bonds (distance) C4'-P energy: -11.466 bonds (distance) P-C4' energy: -12.162 flat angles C4'-P-C4' energy: -11.218 flat angles P-C4'-P energy: -4.518 tors. eta vs tors. theta energy: -4.512 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: 1 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -204.893830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.893830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.893830 (E_RNA) where: Base-Base interactions energy: -141.038 where: short stacking energy: -62.802 Base-Backbone interact. energy: -0.569 local terms energy: -63.286368 where: bonds (distance) C4'-P energy: -14.749 bonds (distance) P-C4' energy: -13.579 flat angles C4'-P-C4' energy: -10.650 flat angles P-C4'-P energy: -6.351 tors. eta vs tors. theta energy: -17.958 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: 2 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -195.040633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.040633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.040633 (E_RNA) where: Base-Base interactions energy: -135.765 where: short stacking energy: -59.244 Base-Backbone interact. energy: -0.002 local terms energy: -59.273964 where: bonds (distance) C4'-P energy: -9.582 bonds (distance) P-C4' energy: -11.644 flat angles C4'-P-C4' energy: -11.590 flat angles P-C4'-P energy: -10.212 tors. eta vs tors. theta energy: -16.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -182.555772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.555772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.555772 (E_RNA) where: Base-Base interactions energy: -120.594 where: short stacking energy: -48.591 Base-Backbone interact. energy: -0.058 local terms energy: -61.903120 where: bonds (distance) C4'-P energy: -10.227 bonds (distance) P-C4' energy: -10.834 flat angles C4'-P-C4' energy: -14.085 flat angles P-C4'-P energy: -13.063 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: 4, replica: 6 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -191.255797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.255797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.255797 (E_RNA) where: Base-Base interactions energy: -133.278 where: short stacking energy: -55.568 Base-Backbone interact. energy: -0.003 local terms energy: -57.974893 where: bonds (distance) C4'-P energy: -12.614 bonds (distance) P-C4' energy: -6.595 flat angles C4'-P-C4' energy: -12.337 flat angles P-C4'-P energy: -9.546 tors. eta vs tors. theta energy: -16.883 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: 4 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -194.030435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.030435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.030435 (E_RNA) where: Base-Base interactions energy: -138.006 where: short stacking energy: -55.370 Base-Backbone interact. energy: -0.099 local terms energy: -55.925401 where: bonds (distance) C4'-P energy: -14.886 bonds (distance) P-C4' energy: -6.400 flat angles C4'-P-C4' energy: -11.885 flat angles P-C4'-P energy: -6.152 tors. eta vs tors. theta energy: -16.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -192.240122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.240122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.240122 (E_RNA) where: Base-Base interactions energy: -132.374 where: short stacking energy: -53.689 Base-Backbone interact. energy: -0.002 local terms energy: -59.864151 where: bonds (distance) C4'-P energy: -11.798 bonds (distance) P-C4' energy: -9.827 flat angles C4'-P-C4' energy: -13.230 flat angles P-C4'-P energy: -8.944 tors. eta vs tors. theta energy: -16.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -179.358485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.358485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.358485 (E_RNA) where: Base-Base interactions energy: -124.164 where: short stacking energy: -50.904 Base-Backbone interact. energy: -0.036 local terms energy: -55.159164 where: bonds (distance) C4'-P energy: -13.077 bonds (distance) P-C4' energy: -9.844 flat angles C4'-P-C4' energy: -8.832 flat angles P-C4'-P energy: -9.116 tors. eta vs tors. theta energy: -14.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -177.466703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.466703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.466703 (E_RNA) where: Base-Base interactions energy: -122.675 where: short stacking energy: -49.064 Base-Backbone interact. energy: -1.184 local terms energy: -53.607343 where: bonds (distance) C4'-P energy: -8.631 bonds (distance) P-C4' energy: -10.686 flat angles C4'-P-C4' energy: -11.370 flat angles P-C4'-P energy: -7.715 tors. eta vs tors. theta energy: -15.205 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: 9, replica: 8 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -65.906486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.906486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.906486 (E_RNA) where: Base-Base interactions energy: -25.242 where: short stacking energy: -23.532 Base-Backbone interact. energy: 0.020 local terms energy: -40.684323 where: bonds (distance) C4'-P energy: -10.327 bonds (distance) P-C4' energy: -11.932 flat angles C4'-P-C4' energy: -11.744 flat angles P-C4'-P energy: -1.442 tors. eta vs tors. theta energy: -5.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -57.279395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.279395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.279395 (E_RNA) where: Base-Base interactions energy: -14.354 where: short stacking energy: -14.354 Base-Backbone interact. energy: -0.231 local terms energy: -42.695009 where: bonds (distance) C4'-P energy: -13.408 bonds (distance) P-C4' energy: -12.814 flat angles C4'-P-C4' energy: -11.402 flat angles P-C4'-P energy: -6.508 tors. eta vs tors. theta energy: 1.437 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: 1 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -205.341749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.341749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.341749 (E_RNA) where: Base-Base interactions energy: -141.145 where: short stacking energy: -60.439 Base-Backbone interact. energy: -0.004 local terms energy: -64.192849 where: bonds (distance) C4'-P energy: -13.578 bonds (distance) P-C4' energy: -11.758 flat angles C4'-P-C4' energy: -10.672 flat angles P-C4'-P energy: -11.885 tors. eta vs tors. theta energy: -16.300 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: 2 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -193.890854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.890854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.890854 (E_RNA) where: Base-Base interactions energy: -130.437 where: short stacking energy: -54.721 Base-Backbone interact. energy: -0.183 local terms energy: -63.270757 where: bonds (distance) C4'-P energy: -13.168 bonds (distance) P-C4' energy: -12.846 flat angles C4'-P-C4' energy: -14.681 flat angles P-C4'-P energy: -6.844 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: 3, replica: 7 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -185.009354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.009354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.009354 (E_RNA) where: Base-Base interactions energy: -125.202 where: short stacking energy: -41.871 Base-Backbone interact. energy: -0.241 local terms energy: -59.566412 where: bonds (distance) C4'-P energy: -12.465 bonds (distance) P-C4' energy: -13.737 flat angles C4'-P-C4' energy: -15.271 flat angles P-C4'-P energy: -11.894 tors. eta vs tors. theta energy: -6.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -186.802816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.802816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.802816 (E_RNA) where: Base-Base interactions energy: -126.097 where: short stacking energy: -52.450 Base-Backbone interact. energy: -0.007 local terms energy: -60.698376 where: bonds (distance) C4'-P energy: -12.400 bonds (distance) P-C4' energy: -13.219 flat angles C4'-P-C4' energy: -12.872 flat angles P-C4'-P energy: -9.816 tors. eta vs tors. theta energy: -12.391 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: 9 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -186.466316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.466316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.466316 (E_RNA) where: Base-Base interactions energy: -128.675 where: short stacking energy: -51.774 Base-Backbone interact. energy: -0.100 local terms energy: -57.691369 where: bonds (distance) C4'-P energy: -12.667 bonds (distance) P-C4' energy: -11.199 flat angles C4'-P-C4' energy: -10.191 flat angles P-C4'-P energy: -10.419 tors. eta vs tors. theta energy: -13.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -193.821329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.821329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.821329 (E_RNA) where: Base-Base interactions energy: -138.215 where: short stacking energy: -55.374 Base-Backbone interact. energy: -0.058 local terms energy: -55.547647 where: bonds (distance) C4'-P energy: -11.633 bonds (distance) P-C4' energy: -11.943 flat angles C4'-P-C4' energy: -10.328 flat angles P-C4'-P energy: -5.750 tors. eta vs tors. theta energy: -15.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -177.136220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.136220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.136220 (E_RNA) where: Base-Base interactions energy: -121.568 where: short stacking energy: -52.547 Base-Backbone interact. energy: -0.035 local terms energy: -55.533776 where: bonds (distance) C4'-P energy: -10.597 bonds (distance) P-C4' energy: -10.830 flat angles C4'-P-C4' energy: -10.903 flat angles P-C4'-P energy: -9.542 tors. eta vs tors. theta energy: -13.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -183.379998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.379998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.379998 (E_RNA) where: Base-Base interactions energy: -129.772 where: short stacking energy: -52.449 Base-Backbone interact. energy: -0.270 local terms energy: -53.338251 where: bonds (distance) C4'-P energy: -7.371 bonds (distance) P-C4' energy: -13.693 flat angles C4'-P-C4' energy: -10.797 flat angles P-C4'-P energy: -6.842 tors. eta vs tors. theta energy: -14.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -71.259066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.259066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.259066 (E_RNA) where: Base-Base interactions energy: -28.345 where: short stacking energy: -19.568 Base-Backbone interact. energy: -0.048 local terms energy: -42.865624 where: bonds (distance) C4'-P energy: -11.827 bonds (distance) P-C4' energy: -10.264 flat angles C4'-P-C4' energy: -10.500 flat angles P-C4'-P energy: -6.348 tors. eta vs tors. theta energy: -3.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -65.451319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.451319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.451319 (E_RNA) where: Base-Base interactions energy: -18.313 where: short stacking energy: -17.656 Base-Backbone interact. energy: -0.162 local terms energy: -46.976382 where: bonds (distance) C4'-P energy: -13.184 bonds (distance) P-C4' energy: -13.843 flat angles C4'-P-C4' energy: -11.535 flat angles P-C4'-P energy: -7.189 tors. eta vs tors. theta energy: -1.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -202.301028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.301028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.301028 (E_RNA) where: Base-Base interactions energy: -136.273 where: short stacking energy: -62.906 Base-Backbone interact. energy: -0.000 local terms energy: -66.027923 where: bonds (distance) C4'-P energy: -13.080 bonds (distance) P-C4' energy: -13.920 flat angles C4'-P-C4' energy: -13.407 flat angles P-C4'-P energy: -7.065 tors. eta vs tors. theta energy: -18.556 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: 2 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -196.709496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.709496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.709496 (E_RNA) where: Base-Base interactions energy: -137.243 where: short stacking energy: -55.809 Base-Backbone interact. energy: -0.001 local terms energy: -59.465807 where: bonds (distance) C4'-P energy: -13.027 bonds (distance) P-C4' energy: -7.798 flat angles C4'-P-C4' energy: -13.001 flat angles P-C4'-P energy: -7.945 tors. eta vs tors. theta energy: -17.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -179.654209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.654209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.654209 (E_RNA) where: Base-Base interactions energy: -130.808 where: short stacking energy: -46.344 Base-Backbone interact. energy: -0.189 local terms energy: -48.657041 where: bonds (distance) C4'-P energy: -10.063 bonds (distance) P-C4' energy: -10.936 flat angles C4'-P-C4' energy: -8.717 flat angles P-C4'-P energy: -10.423 tors. eta vs tors. theta energy: -8.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -194.233990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.233990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.233990 (E_RNA) where: Base-Base interactions energy: -133.927 where: short stacking energy: -57.412 Base-Backbone interact. energy: -0.637 local terms energy: -59.670505 where: bonds (distance) C4'-P energy: -10.613 bonds (distance) P-C4' energy: -10.127 flat angles C4'-P-C4' energy: -12.249 flat angles P-C4'-P energy: -11.733 tors. eta vs tors. theta energy: -14.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -187.015768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.015768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.015768 (E_RNA) where: Base-Base interactions energy: -123.847 where: short stacking energy: -51.691 Base-Backbone interact. energy: -0.001 local terms energy: -63.167962 where: bonds (distance) C4'-P energy: -13.790 bonds (distance) P-C4' energy: -10.194 flat angles C4'-P-C4' energy: -13.219 flat angles P-C4'-P energy: -8.894 tors. eta vs tors. theta energy: -17.071 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: 4 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -185.197637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.197637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.197637 (E_RNA) where: Base-Base interactions energy: -123.249 where: short stacking energy: -46.079 Base-Backbone interact. energy: -0.103 local terms energy: -61.845497 where: bonds (distance) C4'-P energy: -12.750 bonds (distance) P-C4' energy: -13.447 flat angles C4'-P-C4' energy: -12.875 flat angles P-C4'-P energy: -8.817 tors. eta vs tors. theta energy: -13.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -173.170991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.170991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.170991 (E_RNA) where: Base-Base interactions energy: -114.807 where: short stacking energy: -49.265 Base-Backbone interact. energy: -0.015 local terms energy: -58.349578 where: bonds (distance) C4'-P energy: -12.734 bonds (distance) P-C4' energy: -12.245 flat angles C4'-P-C4' energy: -10.798 flat angles P-C4'-P energy: -9.345 tors. eta vs tors. theta energy: -13.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -168.277840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.277840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.277840 (E_RNA) where: Base-Base interactions energy: -115.159 where: short stacking energy: -48.618 Base-Backbone interact. energy: -1.192 local terms energy: -51.926658 where: bonds (distance) C4'-P energy: -14.385 bonds (distance) P-C4' energy: -12.077 flat angles C4'-P-C4' energy: -8.725 flat angles P-C4'-P energy: -7.008 tors. eta vs tors. theta energy: -9.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -73.005836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.005836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.005836 (E_RNA) where: Base-Base interactions energy: -28.987 where: short stacking energy: -28.987 Base-Backbone interact. energy: -0.231 local terms energy: -43.787059 where: bonds (distance) C4'-P energy: -12.527 bonds (distance) P-C4' energy: -11.718 flat angles C4'-P-C4' energy: -10.617 flat angles P-C4'-P energy: -6.038 tors. eta vs tors. theta energy: -2.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -64.289318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.289318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.289318 (E_RNA) where: Base-Base interactions energy: -25.543 where: short stacking energy: -25.543 Base-Backbone interact. energy: -0.037 local terms energy: -38.709326 where: bonds (distance) C4'-P energy: -10.764 bonds (distance) P-C4' energy: -12.248 flat angles C4'-P-C4' energy: -6.883 flat angles P-C4'-P energy: -3.054 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: 1, replica: 2 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -204.057543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.057543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.057543 (E_RNA) where: Base-Base interactions energy: -140.718 where: short stacking energy: -58.615 Base-Backbone interact. energy: -0.008 local terms energy: -63.331850 where: bonds (distance) C4'-P energy: -13.019 bonds (distance) P-C4' energy: -13.836 flat angles C4'-P-C4' energy: -13.542 flat angles P-C4'-P energy: -9.552 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: 2, replica: 1 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -200.770699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.770699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.770699 (E_RNA) where: Base-Base interactions energy: -135.470 where: short stacking energy: -55.683 Base-Backbone interact. energy: -0.000 local terms energy: -65.300382 where: bonds (distance) C4'-P energy: -12.923 bonds (distance) P-C4' energy: -13.035 flat angles C4'-P-C4' energy: -14.058 flat angles P-C4'-P energy: -7.930 tors. eta vs tors. theta energy: -17.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -188.388496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.388496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.388496 (E_RNA) where: Base-Base interactions energy: -126.562 where: short stacking energy: -60.396 Base-Backbone interact. energy: -0.002 local terms energy: -61.825393 where: bonds (distance) C4'-P energy: -10.279 bonds (distance) P-C4' energy: -14.209 flat angles C4'-P-C4' energy: -12.824 flat angles P-C4'-P energy: -11.384 tors. eta vs tors. theta energy: -13.129 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: 7 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -183.527608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.527608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.527608 (E_RNA) where: Base-Base interactions energy: -127.200 where: short stacking energy: -49.767 Base-Backbone interact. energy: -1.270 local terms energy: -55.057507 where: bonds (distance) C4'-P energy: -11.143 bonds (distance) P-C4' energy: -9.872 flat angles C4'-P-C4' energy: -11.353 flat angles P-C4'-P energy: -6.947 tors. eta vs tors. theta energy: -15.742 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: 9 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -189.418503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.418503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.418503 (E_RNA) where: Base-Base interactions energy: -125.448 where: short stacking energy: -53.429 Base-Backbone interact. energy: -0.012 local terms energy: -63.958574 where: bonds (distance) C4'-P energy: -11.872 bonds (distance) P-C4' energy: -13.432 flat angles C4'-P-C4' energy: -14.086 flat angles P-C4'-P energy: -8.935 tors. eta vs tors. theta energy: -15.633 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: 6, replica: 4 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -178.144391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.144391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.144391 (E_RNA) where: Base-Base interactions energy: -117.295 where: short stacking energy: -54.040 Base-Backbone interact. energy: -0.039 local terms energy: -60.810027 where: bonds (distance) C4'-P energy: -13.305 bonds (distance) P-C4' energy: -10.626 flat angles C4'-P-C4' energy: -14.527 flat angles P-C4'-P energy: -8.925 tors. eta vs tors. theta energy: -13.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -172.844833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.844833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.844833 (E_RNA) where: Base-Base interactions energy: -118.341 where: short stacking energy: -48.368 Base-Backbone interact. energy: -0.005 local terms energy: -54.498681 where: bonds (distance) C4'-P energy: -7.903 bonds (distance) P-C4' energy: -11.352 flat angles C4'-P-C4' energy: -14.295 flat angles P-C4'-P energy: -9.140 tors. eta vs tors. theta energy: -11.809 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: 5 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -173.548752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.548752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.548752 (E_RNA) where: Base-Base interactions energy: -115.770 where: short stacking energy: -50.081 Base-Backbone interact. energy: -0.069 local terms energy: -57.710621 where: bonds (distance) C4'-P energy: -10.787 bonds (distance) P-C4' energy: -11.588 flat angles C4'-P-C4' energy: -13.159 flat angles P-C4'-P energy: -7.753 tors. eta vs tors. theta energy: -14.424 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: 3 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -64.460168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.460168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.460168 (E_RNA) where: Base-Base interactions energy: -28.157 where: short stacking energy: -21.616 Base-Backbone interact. energy: -0.199 local terms energy: -36.104113 where: bonds (distance) C4'-P energy: -10.977 bonds (distance) P-C4' energy: -7.703 flat angles C4'-P-C4' energy: -6.002 flat angles P-C4'-P energy: -10.067 tors. eta vs tors. theta energy: -1.354 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: 8 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -62.647670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.647670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.647670 (E_RNA) where: Base-Base interactions energy: -31.666 where: short stacking energy: -25.589 Base-Backbone interact. energy: -0.009 local terms energy: -30.972812 where: bonds (distance) C4'-P energy: -9.164 bonds (distance) P-C4' energy: -10.259 flat angles C4'-P-C4' energy: -1.460 flat angles P-C4'-P energy: -6.853 tors. eta vs tors. theta energy: -3.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -209.744788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.744788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.744788 (E_RNA) where: Base-Base interactions energy: -145.862 where: short stacking energy: -58.161 Base-Backbone interact. energy: -0.010 local terms energy: -63.872770 where: bonds (distance) C4'-P energy: -14.224 bonds (distance) P-C4' energy: -14.141 flat angles C4'-P-C4' energy: -14.524 flat angles P-C4'-P energy: -3.736 tors. eta vs tors. theta energy: -17.248 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: 1 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -204.102173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.102173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.102173 (E_RNA) where: Base-Base interactions energy: -140.634 where: short stacking energy: -57.668 Base-Backbone interact. energy: -0.158 local terms energy: -63.310366 where: bonds (distance) C4'-P energy: -12.059 bonds (distance) P-C4' energy: -12.070 flat angles C4'-P-C4' energy: -15.097 flat angles P-C4'-P energy: -7.805 tors. eta vs tors. theta energy: -16.280 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: 6 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -196.601425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.601425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.601425 (E_RNA) where: Base-Base interactions energy: -137.247 where: short stacking energy: -57.722 Base-Backbone interact. energy: -0.052 local terms energy: -59.301967 where: bonds (distance) C4'-P energy: -12.770 bonds (distance) P-C4' energy: -14.639 flat angles C4'-P-C4' energy: -8.158 flat angles P-C4'-P energy: -6.615 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: 4, replica: 9 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -177.438591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.438591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.438591 (E_RNA) where: Base-Base interactions energy: -118.776 where: short stacking energy: -48.480 Base-Backbone interact. energy: -0.197 local terms energy: -58.465225 where: bonds (distance) C4'-P energy: -13.151 bonds (distance) P-C4' energy: -14.206 flat angles C4'-P-C4' energy: -12.916 flat angles P-C4'-P energy: -9.725 tors. eta vs tors. theta energy: -8.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -177.268664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.268664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.268664 (E_RNA) where: Base-Base interactions energy: -124.408 where: short stacking energy: -56.323 Base-Backbone interact. energy: -0.249 local terms energy: -52.610831 where: bonds (distance) C4'-P energy: -9.645 bonds (distance) P-C4' energy: -11.129 flat angles C4'-P-C4' energy: -12.124 flat angles P-C4'-P energy: -4.410 tors. eta vs tors. theta energy: -15.302 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: 4 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -187.460931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.460931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.460931 (E_RNA) where: Base-Base interactions energy: -125.507 where: short stacking energy: -55.503 Base-Backbone interact. energy: -0.073 local terms energy: -61.881209 where: bonds (distance) C4'-P energy: -13.959 bonds (distance) P-C4' energy: -10.825 flat angles C4'-P-C4' energy: -13.608 flat angles P-C4'-P energy: -8.195 tors. eta vs tors. theta energy: -15.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -165.202350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.202350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.202350 (E_RNA) where: Base-Base interactions energy: -120.676 where: short stacking energy: -44.933 Base-Backbone interact. energy: -0.074 local terms energy: -44.452868 where: bonds (distance) C4'-P energy: -11.128 bonds (distance) P-C4' energy: -10.848 flat angles C4'-P-C4' energy: -8.853 flat angles P-C4'-P energy: -5.797 tors. eta vs tors. theta energy: -7.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -169.095190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.095190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.095190 (E_RNA) where: Base-Base interactions energy: -111.195 where: short stacking energy: -47.189 Base-Backbone interact. energy: -0.000 local terms energy: -57.900292 where: bonds (distance) C4'-P energy: -13.380 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -12.267 flat angles P-C4'-P energy: -7.600 tors. eta vs tors. theta energy: -15.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -71.146206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.146206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.146206 (E_RNA) where: Base-Base interactions energy: -30.554 where: short stacking energy: -17.817 Base-Backbone interact. energy: -0.315 local terms energy: -40.277534 where: bonds (distance) C4'-P energy: -8.694 bonds (distance) P-C4' energy: -11.450 flat angles C4'-P-C4' energy: -8.972 flat angles P-C4'-P energy: -9.634 tors. eta vs tors. theta energy: -1.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -66.407917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.407917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.407917 (E_RNA) where: Base-Base interactions energy: -29.131 where: short stacking energy: -25.864 Base-Backbone interact. energy: -0.108 local terms energy: -37.168518 where: bonds (distance) C4'-P energy: -7.688 bonds (distance) P-C4' energy: -6.863 flat angles C4'-P-C4' energy: -12.997 flat angles P-C4'-P energy: -6.638 tors. eta vs tors. theta energy: -2.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -202.918391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.918391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.918391 (E_RNA) where: Base-Base interactions energy: -141.920 where: short stacking energy: -60.924 Base-Backbone interact. energy: -0.033 local terms energy: -60.964715 where: bonds (distance) C4'-P energy: -9.546 bonds (distance) P-C4' energy: -13.551 flat angles C4'-P-C4' energy: -13.675 flat angles P-C4'-P energy: -10.784 tors. eta vs tors. theta energy: -13.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -200.706663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.706663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.706663 (E_RNA) where: Base-Base interactions energy: -134.836 where: short stacking energy: -59.659 Base-Backbone interact. energy: -0.045 local terms energy: -65.826332 where: bonds (distance) C4'-P energy: -13.632 bonds (distance) P-C4' energy: -11.456 flat angles C4'-P-C4' energy: -14.930 flat angles P-C4'-P energy: -8.591 tors. eta vs tors. theta energy: -17.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -191.388371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.388371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.388371 (E_RNA) where: Base-Base interactions energy: -131.621 where: short stacking energy: -50.721 Base-Backbone interact. energy: -0.151 local terms energy: -59.616322 where: bonds (distance) C4'-P energy: -12.324 bonds (distance) P-C4' energy: -12.718 flat angles C4'-P-C4' energy: -10.569 flat angles P-C4'-P energy: -11.575 tors. eta vs tors. theta energy: -12.431 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: 6 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -189.913367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.913367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.913367 (E_RNA) where: Base-Base interactions energy: -127.005 where: short stacking energy: -57.134 Base-Backbone interact. energy: -0.025 local terms energy: -62.883708 where: bonds (distance) C4'-P energy: -13.160 bonds (distance) P-C4' energy: -12.361 flat angles C4'-P-C4' energy: -11.007 flat angles P-C4'-P energy: -9.525 tors. eta vs tors. theta energy: -16.830 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: 4 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -192.432604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.432604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.432604 (E_RNA) where: Base-Base interactions energy: -136.316 where: short stacking energy: -55.570 Base-Backbone interact. energy: -0.004 local terms energy: -56.112048 where: bonds (distance) C4'-P energy: -10.929 bonds (distance) P-C4' energy: -9.238 flat angles C4'-P-C4' energy: -12.211 flat angles P-C4'-P energy: -7.637 tors. eta vs tors. theta energy: -16.098 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: 300 Temperature: 1.150000 Total energy: -184.302889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.302889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.302889 (E_RNA) where: Base-Base interactions energy: -127.839 where: short stacking energy: -48.455 Base-Backbone interact. energy: 2.195 local terms energy: -58.659052 where: bonds (distance) C4'-P energy: -7.848 bonds (distance) P-C4' energy: -15.830 flat angles C4'-P-C4' energy: -10.479 flat angles P-C4'-P energy: -10.157 tors. eta vs tors. theta energy: -14.345 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: 5 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -172.259526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.259526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.259526 (E_RNA) where: Base-Base interactions energy: -114.657 where: short stacking energy: -43.987 Base-Backbone interact. energy: -0.201 local terms energy: -57.401733 where: bonds (distance) C4'-P energy: -12.573 bonds (distance) P-C4' energy: -11.706 flat angles C4'-P-C4' energy: -11.439 flat angles P-C4'-P energy: -8.459 tors. eta vs tors. theta energy: -13.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -168.142333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.142333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.142333 (E_RNA) where: Base-Base interactions energy: -119.220 where: short stacking energy: -51.026 Base-Backbone interact. energy: -0.001 local terms energy: -48.921543 where: bonds (distance) C4'-P energy: -9.974 bonds (distance) P-C4' energy: -11.681 flat angles C4'-P-C4' energy: -9.340 flat angles P-C4'-P energy: -5.864 tors. eta vs tors. theta energy: -12.063 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: 9, replica: 8 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -70.004741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.004741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.004741 (E_RNA) where: Base-Base interactions energy: -23.451 where: short stacking energy: -23.133 Base-Backbone interact. energy: -0.184 local terms energy: -46.368980 where: bonds (distance) C4'-P energy: -9.053 bonds (distance) P-C4' energy: -13.898 flat angles C4'-P-C4' energy: -13.265 flat angles P-C4'-P energy: -7.297 tors. eta vs tors. theta energy: -2.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -63.316422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.316422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.316422 (E_RNA) where: Base-Base interactions energy: -21.824 where: short stacking energy: -19.817 Base-Backbone interact. energy: -0.200 local terms energy: -41.292800 where: bonds (distance) C4'-P energy: -10.618 bonds (distance) P-C4' energy: -8.411 flat angles C4'-P-C4' energy: -13.888 flat angles P-C4'-P energy: -4.908 tors. eta vs tors. theta energy: -3.468 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: 1 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -197.502154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.502154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.502154 (E_RNA) where: Base-Base interactions energy: -129.604 where: short stacking energy: -55.889 Base-Backbone interact. energy: -0.048 local terms energy: -67.850148 where: bonds (distance) C4'-P energy: -12.336 bonds (distance) P-C4' energy: -13.662 flat angles C4'-P-C4' energy: -13.264 flat angles P-C4'-P energy: -12.695 tors. eta vs tors. theta energy: -15.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -197.753086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.753086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.753086 (E_RNA) where: Base-Base interactions energy: -130.340 where: short stacking energy: -58.308 Base-Backbone interact. energy: -0.003 local terms energy: -67.410365 where: bonds (distance) C4'-P energy: -12.775 bonds (distance) P-C4' energy: -13.487 flat angles C4'-P-C4' energy: -13.387 flat angles P-C4'-P energy: -10.896 tors. eta vs tors. theta energy: -16.865 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: 301 Temperature: 1.000000 Total energy: -193.741792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.741792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.741792 (E_RNA) where: Base-Base interactions energy: -134.519 where: short stacking energy: -58.007 Base-Backbone interact. energy: -0.004 local terms energy: -59.219487 where: bonds (distance) C4'-P energy: -12.509 bonds (distance) P-C4' energy: -10.859 flat angles C4'-P-C4' energy: -12.189 flat angles P-C4'-P energy: -7.986 tors. eta vs tors. theta energy: -15.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -199.788567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.788567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.788567 (E_RNA) where: Base-Base interactions energy: -134.994 where: short stacking energy: -54.819 Base-Backbone interact. energy: -0.554 local terms energy: -64.241156 where: bonds (distance) C4'-P energy: -11.582 bonds (distance) P-C4' energy: -11.207 flat angles C4'-P-C4' energy: -14.992 flat angles P-C4'-P energy: -10.119 tors. eta vs tors. theta energy: -16.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -193.586329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.586329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.586329 (E_RNA) where: Base-Base interactions energy: -138.364 where: short stacking energy: -57.994 Base-Backbone interact. energy: -0.003 local terms energy: -55.219888 where: bonds (distance) C4'-P energy: -12.393 bonds (distance) P-C4' energy: -11.500 flat angles C4'-P-C4' energy: -9.607 flat angles P-C4'-P energy: -6.656 tors. eta vs tors. theta energy: -15.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -197.696934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.696934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.696934 (E_RNA) where: Base-Base interactions energy: -138.339 where: short stacking energy: -61.633 Base-Backbone interact. energy: -0.008 local terms energy: -59.349430 where: bonds (distance) C4'-P energy: -8.949 bonds (distance) P-C4' energy: -11.653 flat angles C4'-P-C4' energy: -12.031 flat angles P-C4'-P energy: -9.921 tors. eta vs tors. theta energy: -16.796 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: 7 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -174.062696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.062696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.062696 (E_RNA) where: Base-Base interactions energy: -116.735 where: short stacking energy: -48.802 Base-Backbone interact. energy: -0.672 local terms energy: -56.655575 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -12.218 flat angles C4'-P-C4' energy: -14.512 flat angles P-C4'-P energy: -9.371 tors. eta vs tors. theta energy: -11.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -173.618212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.618212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.618212 (E_RNA) where: Base-Base interactions energy: -121.379 where: short stacking energy: -46.643 Base-Backbone interact. energy: -0.001 local terms energy: -52.238077 where: bonds (distance) C4'-P energy: -9.086 bonds (distance) P-C4' energy: -7.500 flat angles C4'-P-C4' energy: -13.224 flat angles P-C4'-P energy: -8.495 tors. eta vs tors. theta energy: -13.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -79.943117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.943117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.943117 (E_RNA) where: Base-Base interactions energy: -44.414 where: short stacking energy: -32.648 Base-Backbone interact. energy: -0.167 local terms energy: -35.362297 where: bonds (distance) C4'-P energy: -1.175 bonds (distance) P-C4' energy: -8.140 flat angles C4'-P-C4' energy: -9.302 flat angles P-C4'-P energy: -6.722 tors. eta vs tors. theta energy: -10.022 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: 3 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -63.609666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.609666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.609666 (E_RNA) where: Base-Base interactions energy: -23.503 where: short stacking energy: -23.503 Base-Backbone interact. energy: -0.938 local terms energy: -39.168843 where: bonds (distance) C4'-P energy: -5.078 bonds (distance) P-C4' energy: -10.848 flat angles C4'-P-C4' energy: -10.859 flat angles P-C4'-P energy: -7.620 tors. eta vs tors. theta energy: -4.763 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: 2 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -201.124804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.124804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.124804 (E_RNA) where: Base-Base interactions energy: -139.176 where: short stacking energy: -59.265 Base-Backbone interact. energy: -0.000 local terms energy: -61.948823 where: bonds (distance) C4'-P energy: -11.905 bonds (distance) P-C4' energy: -13.247 flat angles C4'-P-C4' energy: -13.443 flat angles P-C4'-P energy: -7.565 tors. eta vs tors. theta energy: -15.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -198.403781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.403781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.403781 (E_RNA) where: Base-Base interactions energy: -132.903 where: short stacking energy: -56.493 Base-Backbone interact. energy: -1.066 local terms energy: -64.434760 where: bonds (distance) C4'-P energy: -11.835 bonds (distance) P-C4' energy: -12.672 flat angles C4'-P-C4' energy: -13.542 flat angles P-C4'-P energy: -9.465 tors. eta vs tors. theta energy: -16.921 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: 4 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -199.389630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.389630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.389630 (E_RNA) where: Base-Base interactions energy: -141.787 where: short stacking energy: -61.722 Base-Backbone interact. energy: -0.001 local terms energy: -57.601573 where: bonds (distance) C4'-P energy: -11.607 bonds (distance) P-C4' energy: -5.706 flat angles C4'-P-C4' energy: -15.098 flat angles P-C4'-P energy: -8.606 tors. eta vs tors. theta energy: -16.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -195.880132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.880132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.880132 (E_RNA) where: Base-Base interactions energy: -133.436 where: short stacking energy: -56.655 Base-Backbone interact. energy: 0.118 local terms energy: -62.562066 where: bonds (distance) C4'-P energy: -11.028 bonds (distance) P-C4' energy: -9.902 flat angles C4'-P-C4' energy: -15.081 flat angles P-C4'-P energy: -10.348 tors. eta vs tors. theta energy: -16.203 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: 5, replica: 5 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -187.288693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.288693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.288693 (E_RNA) where: Base-Base interactions energy: -130.879 where: short stacking energy: -55.716 Base-Backbone interact. energy: 0.196 local terms energy: -56.605544 where: bonds (distance) C4'-P energy: -12.833 bonds (distance) P-C4' energy: -6.077 flat angles C4'-P-C4' energy: -14.556 flat angles P-C4'-P energy: -6.559 tors. eta vs tors. theta energy: -16.580 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: 6 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -190.332907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.332907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.332907 (E_RNA) where: Base-Base interactions energy: -137.081 where: short stacking energy: -59.701 Base-Backbone interact. energy: -0.001 local terms energy: -53.251850 where: bonds (distance) C4'-P energy: -7.215 bonds (distance) P-C4' energy: -13.190 flat angles C4'-P-C4' energy: -12.556 flat angles P-C4'-P energy: -6.745 tors. eta vs tors. theta energy: -13.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -177.700582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.700582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.700582 (E_RNA) where: Base-Base interactions energy: -123.406 where: short stacking energy: -48.403 Base-Backbone interact. energy: -0.130 local terms energy: -54.165106 where: bonds (distance) C4'-P energy: -12.134 bonds (distance) P-C4' energy: -10.284 flat angles C4'-P-C4' energy: -8.596 flat angles P-C4'-P energy: -9.600 tors. eta vs tors. theta energy: -13.552 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: 7 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -177.131888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.131888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.131888 (E_RNA) where: Base-Base interactions energy: -120.826 where: short stacking energy: -46.816 Base-Backbone interact. energy: -0.228 local terms energy: -56.077540 where: bonds (distance) C4'-P energy: -10.253 bonds (distance) P-C4' energy: -13.135 flat angles C4'-P-C4' energy: -10.835 flat angles P-C4'-P energy: -9.432 tors. eta vs tors. theta energy: -12.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -79.508780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.508780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.508780 (E_RNA) where: Base-Base interactions energy: -39.194 where: short stacking energy: -15.864 Base-Backbone interact. energy: 0.947 local terms energy: -41.262103 where: bonds (distance) C4'-P energy: -3.801 bonds (distance) P-C4' energy: -15.587 flat angles C4'-P-C4' energy: -13.648 flat angles P-C4'-P energy: -8.322 tors. eta vs tors. theta energy: 0.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -79.783905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.783905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.783905 (E_RNA) where: Base-Base interactions energy: -46.821 where: short stacking energy: -23.787 Base-Backbone interact. energy: -0.114 local terms energy: -32.848687 where: bonds (distance) C4'-P energy: -8.938 bonds (distance) P-C4' energy: -6.946 flat angles C4'-P-C4' energy: -10.818 flat angles P-C4'-P energy: -4.284 tors. eta vs tors. theta energy: -1.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -203.622924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.622924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.622924 (E_RNA) where: Base-Base interactions energy: -138.498 where: short stacking energy: -59.756 Base-Backbone interact. energy: -0.005 local terms energy: -65.120211 where: bonds (distance) C4'-P energy: -14.021 bonds (distance) P-C4' energy: -12.792 flat angles C4'-P-C4' energy: -11.464 flat angles P-C4'-P energy: -7.826 tors. eta vs tors. theta energy: -19.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -197.058770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.058770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.058770 (E_RNA) where: Base-Base interactions energy: -136.003 where: short stacking energy: -59.075 Base-Backbone interact. energy: -0.023 local terms energy: -61.032594 where: bonds (distance) C4'-P energy: -12.589 bonds (distance) P-C4' energy: -15.097 flat angles C4'-P-C4' energy: -10.587 flat angles P-C4'-P energy: -4.549 tors. eta vs tors. theta energy: -18.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -205.725137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.725137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.725137 (E_RNA) where: Base-Base interactions energy: -141.506 where: short stacking energy: -61.747 Base-Backbone interact. energy: -0.002 local terms energy: -64.217176 where: bonds (distance) C4'-P energy: -14.413 bonds (distance) P-C4' energy: -11.550 flat angles C4'-P-C4' energy: -14.759 flat angles P-C4'-P energy: -7.055 tors. eta vs tors. theta energy: -16.440 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: 5 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -183.966647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.966647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.966647 (E_RNA) where: Base-Base interactions energy: -124.266 where: short stacking energy: -53.421 Base-Backbone interact. energy: -0.078 local terms energy: -59.623248 where: bonds (distance) C4'-P energy: -13.246 bonds (distance) P-C4' energy: -11.683 flat angles C4'-P-C4' energy: -12.025 flat angles P-C4'-P energy: -8.237 tors. eta vs tors. theta energy: -14.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -173.804075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.804075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.804075 (E_RNA) where: Base-Base interactions energy: -117.401 where: short stacking energy: -49.906 Base-Backbone interact. energy: -0.069 local terms energy: -56.333933 where: bonds (distance) C4'-P energy: -11.822 bonds (distance) P-C4' energy: -11.818 flat angles C4'-P-C4' energy: -13.102 flat angles P-C4'-P energy: -6.762 tors. eta vs tors. theta energy: -12.830 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: 10 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -190.799342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.799342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.799342 (E_RNA) where: Base-Base interactions energy: -128.204 where: short stacking energy: -59.492 Base-Backbone interact. energy: -0.016 local terms energy: -62.580047 where: bonds (distance) C4'-P energy: -9.211 bonds (distance) P-C4' energy: -14.625 flat angles C4'-P-C4' energy: -13.886 flat angles P-C4'-P energy: -9.453 tors. eta vs tors. theta energy: -15.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -186.453823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.453823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.453823 (E_RNA) where: Base-Base interactions energy: -131.696 where: short stacking energy: -50.002 Base-Backbone interact. energy: 0.491 local terms energy: -55.249623 where: bonds (distance) C4'-P energy: -10.796 bonds (distance) P-C4' energy: -11.932 flat angles C4'-P-C4' energy: -9.433 flat angles P-C4'-P energy: -5.666 tors. eta vs tors. theta energy: -17.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -79.736759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.736759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.736759 (E_RNA) where: Base-Base interactions energy: -39.020 where: short stacking energy: -24.041 Base-Backbone interact. energy: -0.338 local terms energy: -40.379128 where: bonds (distance) C4'-P energy: -10.936 bonds (distance) P-C4' energy: -12.237 flat angles C4'-P-C4' energy: -8.439 flat angles P-C4'-P energy: -3.095 tors. eta vs tors. theta energy: -5.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -178.671267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.671267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.671267 (E_RNA) where: Base-Base interactions energy: -136.358 where: short stacking energy: -57.848 Base-Backbone interact. energy: -0.003 local terms energy: -42.310832 where: bonds (distance) C4'-P energy: -5.529 bonds (distance) P-C4' energy: -4.517 flat angles C4'-P-C4' energy: -12.530 flat angles P-C4'-P energy: -4.401 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: 10, replica: 8 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -61.167994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.167994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.167994 (E_RNA) where: Base-Base interactions energy: -19.227 where: short stacking energy: -15.073 Base-Backbone interact. energy: -0.292 local terms energy: -41.649391 where: bonds (distance) C4'-P energy: -10.655 bonds (distance) P-C4' energy: -9.002 flat angles C4'-P-C4' energy: -7.901 flat angles P-C4'-P energy: -10.262 tors. eta vs tors. theta energy: -3.830 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: 2 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -201.822795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.822795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.822795 (E_RNA) where: Base-Base interactions energy: -137.896 where: short stacking energy: -57.288 Base-Backbone interact. energy: -0.001 local terms energy: -63.926031 where: bonds (distance) C4'-P energy: -12.775 bonds (distance) P-C4' energy: -13.644 flat angles C4'-P-C4' energy: -12.413 flat angles P-C4'-P energy: -8.281 tors. eta vs tors. theta energy: -16.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -197.996454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.996454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.996454 (E_RNA) where: Base-Base interactions energy: -131.077 where: short stacking energy: -56.472 Base-Backbone interact. energy: -0.001 local terms energy: -66.917712 where: bonds (distance) C4'-P energy: -12.308 bonds (distance) P-C4' energy: -13.380 flat angles C4'-P-C4' energy: -14.223 flat angles P-C4'-P energy: -10.354 tors. eta vs tors. theta energy: -16.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -200.423945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.423945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.423945 (E_RNA) where: Base-Base interactions energy: -140.619 where: short stacking energy: -58.883 Base-Backbone interact. energy: 2.794 local terms energy: -62.599102 where: bonds (distance) C4'-P energy: -10.923 bonds (distance) P-C4' energy: -14.808 flat angles C4'-P-C4' energy: -12.438 flat angles P-C4'-P energy: -11.303 tors. eta vs tors. theta energy: -13.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -193.950758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.950758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.950758 (E_RNA) where: Base-Base interactions energy: -132.032 where: short stacking energy: -56.890 Base-Backbone interact. energy: 0.924 local terms energy: -62.842266 where: bonds (distance) C4'-P energy: -8.655 bonds (distance) P-C4' energy: -15.295 flat angles C4'-P-C4' energy: -13.374 flat angles P-C4'-P energy: -11.706 tors. eta vs tors. theta energy: -13.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -189.608556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.608556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.608556 (E_RNA) where: Base-Base interactions energy: -134.887 where: short stacking energy: -58.035 Base-Backbone interact. energy: -0.000 local terms energy: -54.720911 where: bonds (distance) C4'-P energy: -8.892 bonds (distance) P-C4' energy: -13.343 flat angles C4'-P-C4' energy: -13.938 flat angles P-C4'-P energy: -3.671 tors. eta vs tors. theta energy: -14.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -187.433280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.433280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.433280 (E_RNA) where: Base-Base interactions energy: -127.953 where: short stacking energy: -57.343 Base-Backbone interact. energy: -0.010 local terms energy: -59.470069 where: bonds (distance) C4'-P energy: -13.532 bonds (distance) P-C4' energy: -11.117 flat angles C4'-P-C4' energy: -8.857 flat angles P-C4'-P energy: -9.660 tors. eta vs tors. theta energy: -16.305 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: 304 Temperature: 1.200000 Total energy: -170.935068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.935068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.935068 (E_RNA) where: Base-Base interactions energy: -117.833 where: short stacking energy: -44.980 Base-Backbone interact. energy: -0.225 local terms energy: -52.877153 where: bonds (distance) C4'-P energy: -11.794 bonds (distance) P-C4' energy: -11.582 flat angles C4'-P-C4' energy: -11.015 flat angles P-C4'-P energy: -9.682 tors. eta vs tors. theta energy: -8.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -67.590666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.590666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.590666 (E_RNA) where: Base-Base interactions energy: -23.829 where: short stacking energy: -23.829 Base-Backbone interact. energy: -0.034 local terms energy: -43.726989 where: bonds (distance) C4'-P energy: -14.464 bonds (distance) P-C4' energy: -11.676 flat angles C4'-P-C4' energy: -6.752 flat angles P-C4'-P energy: -5.576 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: 9, replica: 7 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -164.355070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.355070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.355070 (E_RNA) where: Base-Base interactions energy: -113.907 where: short stacking energy: -41.999 Base-Backbone interact. energy: -0.004 local terms energy: -50.444139 where: bonds (distance) C4'-P energy: -11.177 bonds (distance) P-C4' energy: -11.057 flat angles C4'-P-C4' energy: -10.251 flat angles P-C4'-P energy: -7.579 tors. eta vs tors. theta energy: -10.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -63.575811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.575811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.575811 (E_RNA) where: Base-Base interactions energy: -18.465 where: short stacking energy: -18.465 Base-Backbone interact. energy: -0.225 local terms energy: -44.885144 where: bonds (distance) C4'-P energy: -10.548 bonds (distance) P-C4' energy: -16.050 flat angles C4'-P-C4' energy: -7.732 flat angles P-C4'-P energy: -4.783 tors. eta vs tors. theta energy: -5.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -203.220686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.220686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.220686 (E_RNA) where: Base-Base interactions energy: -139.172 where: short stacking energy: -57.655 Base-Backbone interact. energy: -0.008 local terms energy: -64.041010 where: bonds (distance) C4'-P energy: -9.182 bonds (distance) P-C4' energy: -14.674 flat angles C4'-P-C4' energy: -11.578 flat angles P-C4'-P energy: -12.009 tors. eta vs tors. theta energy: -16.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -193.186307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.186307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.186307 (E_RNA) where: Base-Base interactions energy: -133.810 where: short stacking energy: -50.370 Base-Backbone interact. energy: -0.001 local terms energy: -59.375458 where: bonds (distance) C4'-P energy: -13.578 bonds (distance) P-C4' energy: -13.427 flat angles C4'-P-C4' energy: -12.764 flat angles P-C4'-P energy: -7.379 tors. eta vs tors. theta energy: -12.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -190.046657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.046657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.046657 (E_RNA) where: Base-Base interactions energy: -135.155 where: short stacking energy: -53.445 Base-Backbone interact. energy: -1.449 local terms energy: -53.442761 where: bonds (distance) C4'-P energy: -10.697 bonds (distance) P-C4' energy: -12.761 flat angles C4'-P-C4' energy: -13.019 flat angles P-C4'-P energy: -5.390 tors. eta vs tors. theta energy: -11.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -186.122780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.122780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.122780 (E_RNA) where: Base-Base interactions energy: -129.490 where: short stacking energy: -63.192 Base-Backbone interact. energy: -0.280 local terms energy: -56.352799 where: bonds (distance) C4'-P energy: -12.236 bonds (distance) P-C4' energy: -13.948 flat angles C4'-P-C4' energy: -9.405 flat angles P-C4'-P energy: -8.343 tors. eta vs tors. theta energy: -12.421 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: 1 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -175.042095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.042095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.042095 (E_RNA) where: Base-Base interactions energy: -125.737 where: short stacking energy: -50.594 Base-Backbone interact. energy: -0.086 local terms energy: -49.218736 where: bonds (distance) C4'-P energy: -12.759 bonds (distance) P-C4' energy: -5.404 flat angles C4'-P-C4' energy: -11.174 flat angles P-C4'-P energy: -8.198 tors. eta vs tors. theta energy: -11.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -175.367660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.367660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.367660 (E_RNA) where: Base-Base interactions energy: -124.177 where: short stacking energy: -57.485 Base-Backbone interact. energy: -0.008 local terms energy: -51.182569 where: bonds (distance) C4'-P energy: -7.202 bonds (distance) P-C4' energy: -11.491 flat angles C4'-P-C4' energy: -13.796 flat angles P-C4'-P energy: -8.726 tors. eta vs tors. theta energy: -9.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -175.851962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.851962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.851962 (E_RNA) where: Base-Base interactions energy: -117.721 where: short stacking energy: -47.770 Base-Backbone interact. energy: 0.761 local terms energy: -58.891724 where: bonds (distance) C4'-P energy: -12.788 bonds (distance) P-C4' energy: -13.109 flat angles C4'-P-C4' energy: -13.575 flat angles P-C4'-P energy: -7.212 tors. eta vs tors. theta energy: -12.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -178.394757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.394757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.394757 (E_RNA) where: Base-Base interactions energy: -124.827 where: short stacking energy: -51.173 Base-Backbone interact. energy: -0.014 local terms energy: -53.553691 where: bonds (distance) C4'-P energy: -8.085 bonds (distance) P-C4' energy: -11.200 flat angles C4'-P-C4' energy: -9.346 flat angles P-C4'-P energy: -8.358 tors. eta vs tors. theta energy: -16.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -71.768941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.768941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.768941 (E_RNA) where: Base-Base interactions energy: -27.074 where: short stacking energy: -27.074 Base-Backbone interact. energy: -1.005 local terms energy: -43.689456 where: bonds (distance) C4'-P energy: -11.997 bonds (distance) P-C4' energy: -14.618 flat angles C4'-P-C4' energy: -11.559 flat angles P-C4'-P energy: -5.533 tors. eta vs tors. theta energy: 0.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -69.351673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.351673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.351673 (E_RNA) where: Base-Base interactions energy: -32.801 where: short stacking energy: -18.949 Base-Backbone interact. energy: -0.007 local terms energy: -36.543132 where: bonds (distance) C4'-P energy: -9.036 bonds (distance) P-C4' energy: -11.392 flat angles C4'-P-C4' energy: -4.491 flat angles P-C4'-P energy: -6.554 tors. eta vs tors. theta energy: -5.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -192.587686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.587686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.587686 (E_RNA) where: Base-Base interactions energy: -136.602 where: short stacking energy: -54.095 Base-Backbone interact. energy: -0.018 local terms energy: -55.967984 where: bonds (distance) C4'-P energy: -11.412 bonds (distance) P-C4' energy: -12.566 flat angles C4'-P-C4' energy: -9.956 flat angles P-C4'-P energy: -8.921 tors. eta vs tors. theta energy: -13.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -203.728993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.728993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.728993 (E_RNA) where: Base-Base interactions energy: -138.379 where: short stacking energy: -60.025 Base-Backbone interact. energy: -0.710 local terms energy: -64.639097 where: bonds (distance) C4'-P energy: -11.591 bonds (distance) P-C4' energy: -12.858 flat angles C4'-P-C4' energy: -14.884 flat angles P-C4'-P energy: -8.820 tors. eta vs tors. theta energy: -16.486 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: 3, replica: 10 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -190.456383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.456383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.456383 (E_RNA) where: Base-Base interactions energy: -130.982 where: short stacking energy: -56.965 Base-Backbone interact. energy: -0.533 local terms energy: -58.941142 where: bonds (distance) C4'-P energy: -13.764 bonds (distance) P-C4' energy: -10.775 flat angles C4'-P-C4' energy: -12.863 flat angles P-C4'-P energy: -7.897 tors. eta vs tors. theta energy: -13.642 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: 4, replica: 4 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -196.129317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.129317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.129317 (E_RNA) where: Base-Base interactions energy: -134.277 where: short stacking energy: -56.287 Base-Backbone interact. energy: -0.006 local terms energy: -61.846393 where: bonds (distance) C4'-P energy: -9.459 bonds (distance) P-C4' energy: -12.742 flat angles C4'-P-C4' energy: -14.162 flat angles P-C4'-P energy: -8.797 tors. eta vs tors. theta energy: -16.686 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: 6 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -174.121383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.121383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.121383 (E_RNA) where: Base-Base interactions energy: -119.327 where: short stacking energy: -56.235 Base-Backbone interact. energy: -0.002 local terms energy: -54.793126 where: bonds (distance) C4'-P energy: -10.849 bonds (distance) P-C4' energy: -12.465 flat angles C4'-P-C4' energy: -10.566 flat angles P-C4'-P energy: -8.964 tors. eta vs tors. theta energy: -11.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -183.057686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.057686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.057686 (E_RNA) where: Base-Base interactions energy: -127.358 where: short stacking energy: -54.269 Base-Backbone interact. energy: -0.020 local terms energy: -55.678893 where: bonds (distance) C4'-P energy: -9.376 bonds (distance) P-C4' energy: -11.112 flat angles C4'-P-C4' energy: -10.854 flat angles P-C4'-P energy: -10.597 tors. eta vs tors. theta energy: -13.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -199.356394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.356394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.356394 (E_RNA) where: Base-Base interactions energy: -143.851 where: short stacking energy: -59.557 Base-Backbone interact. energy: -0.006 local terms energy: -55.499342 where: bonds (distance) C4'-P energy: -10.655 bonds (distance) P-C4' energy: -11.111 flat angles C4'-P-C4' energy: -11.376 flat angles P-C4'-P energy: -4.196 tors. eta vs tors. theta energy: -18.161 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: 7 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -173.449542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.449542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.449542 (E_RNA) where: Base-Base interactions energy: -120.145 where: short stacking energy: -50.217 Base-Backbone interact. energy: -0.910 local terms energy: -52.394148 where: bonds (distance) C4'-P energy: -10.005 bonds (distance) P-C4' energy: -6.894 flat angles C4'-P-C4' energy: -10.237 flat angles P-C4'-P energy: -9.550 tors. eta vs tors. theta energy: -15.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -64.930090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.930090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.930090 (E_RNA) where: Base-Base interactions energy: -26.952 where: short stacking energy: -17.490 Base-Backbone interact. energy: -0.868 local terms energy: -37.110689 where: bonds (distance) C4'-P energy: -10.714 bonds (distance) P-C4' energy: -13.110 flat angles C4'-P-C4' energy: -7.899 flat angles P-C4'-P energy: -5.462 tors. eta vs tors. theta energy: 0.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -66.039927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.039927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.039927 (E_RNA) where: Base-Base interactions energy: -32.057 where: short stacking energy: -26.679 Base-Backbone interact. energy: -0.001 local terms energy: -33.982235 where: bonds (distance) C4'-P energy: -8.374 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -8.036 flat angles P-C4'-P energy: -3.871 tors. eta vs tors. theta energy: -4.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -206.156381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.156381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.156381 (E_RNA) where: Base-Base interactions energy: -145.253 where: short stacking energy: -65.276 Base-Backbone interact. energy: -0.002 local terms energy: -60.902191 where: bonds (distance) C4'-P energy: -9.643 bonds (distance) P-C4' energy: -10.958 flat angles C4'-P-C4' energy: -15.938 flat angles P-C4'-P energy: -7.819 tors. eta vs tors. theta energy: -16.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -193.958146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.958146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.958146 (E_RNA) where: Base-Base interactions energy: -133.003 where: short stacking energy: -59.829 Base-Backbone interact. energy: -0.594 local terms energy: -60.360355 where: bonds (distance) C4'-P energy: -12.302 bonds (distance) P-C4' energy: -11.234 flat angles C4'-P-C4' energy: -12.400 flat angles P-C4'-P energy: -8.651 tors. eta vs tors. theta energy: -15.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -201.386806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.386806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.386806 (E_RNA) where: Base-Base interactions energy: -138.464 where: short stacking energy: -61.156 Base-Backbone interact. energy: -0.008 local terms energy: -62.915440 where: bonds (distance) C4'-P energy: -13.408 bonds (distance) P-C4' energy: -11.720 flat angles C4'-P-C4' energy: -13.077 flat angles P-C4'-P energy: -7.317 tors. eta vs tors. theta energy: -17.393 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: 4 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -202.096663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.096663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.096663 (E_RNA) where: Base-Base interactions energy: -144.604 where: short stacking energy: -60.169 Base-Backbone interact. energy: -0.001 local terms energy: -57.492176 where: bonds (distance) C4'-P energy: -12.865 bonds (distance) P-C4' energy: -10.837 flat angles C4'-P-C4' energy: -13.707 flat angles P-C4'-P energy: -6.755 tors. eta vs tors. theta energy: -13.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -187.554362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.554362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.554362 (E_RNA) where: Base-Base interactions energy: -129.850 where: short stacking energy: -48.894 Base-Backbone interact. energy: -0.220 local terms energy: -57.484535 where: bonds (distance) C4'-P energy: -10.581 bonds (distance) P-C4' energy: -12.423 flat angles C4'-P-C4' energy: -12.384 flat angles P-C4'-P energy: -10.885 tors. eta vs tors. theta energy: -11.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -190.087987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.087987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.087987 (E_RNA) where: Base-Base interactions energy: -130.431 where: short stacking energy: -55.761 Base-Backbone interact. energy: -0.002 local terms energy: -59.654198 where: bonds (distance) C4'-P energy: -9.439 bonds (distance) P-C4' energy: -12.029 flat angles C4'-P-C4' energy: -12.980 flat angles P-C4'-P energy: -8.365 tors. eta vs tors. theta energy: -16.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -188.776663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.776663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.776663 (E_RNA) where: Base-Base interactions energy: -133.417 where: short stacking energy: -53.681 Base-Backbone interact. energy: -0.007 local terms energy: -55.352564 where: bonds (distance) C4'-P energy: -10.883 bonds (distance) P-C4' energy: -12.170 flat angles C4'-P-C4' energy: -10.598 flat angles P-C4'-P energy: -5.904 tors. eta vs tors. theta energy: -15.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -169.025732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.025732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.025732 (E_RNA) where: Base-Base interactions energy: -117.047 where: short stacking energy: -48.405 Base-Backbone interact. energy: -0.574 local terms energy: -51.404188 where: bonds (distance) C4'-P energy: -10.332 bonds (distance) P-C4' energy: -10.201 flat angles C4'-P-C4' energy: -12.206 flat angles P-C4'-P energy: -5.715 tors. eta vs tors. theta energy: -12.950 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: 8 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -61.353979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.353979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.353979 (E_RNA) where: Base-Base interactions energy: -27.532 where: short stacking energy: -26.007 Base-Backbone interact. energy: -0.214 local terms energy: -33.608363 where: bonds (distance) C4'-P energy: -7.567 bonds (distance) P-C4' energy: -11.524 flat angles C4'-P-C4' energy: -8.836 flat angles P-C4'-P energy: -2.610 tors. eta vs tors. theta energy: -3.072 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: 3 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -66.908297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.908297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.908297 (E_RNA) where: Base-Base interactions energy: -25.124 where: short stacking energy: -24.946 Base-Backbone interact. energy: -0.381 local terms energy: -41.402966 where: bonds (distance) C4'-P energy: -8.677 bonds (distance) P-C4' energy: -13.507 flat angles C4'-P-C4' energy: -10.702 flat angles P-C4'-P energy: -8.471 tors. eta vs tors. theta energy: -0.046 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: 5 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -203.871424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.871424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.871424 (E_RNA) where: Base-Base interactions energy: -138.228 where: short stacking energy: -60.329 Base-Backbone interact. energy: 0.971 local terms energy: -66.614531 where: bonds (distance) C4'-P energy: -12.563 bonds (distance) P-C4' energy: -13.840 flat angles C4'-P-C4' energy: -14.176 flat angles P-C4'-P energy: -9.542 tors. eta vs tors. theta energy: -16.493 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: 10 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -200.717198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.717198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.717198 (E_RNA) where: Base-Base interactions energy: -141.007 where: short stacking energy: -60.034 Base-Backbone interact. energy: -0.026 local terms energy: -59.684354 where: bonds (distance) C4'-P energy: -13.761 bonds (distance) P-C4' energy: -11.595 flat angles C4'-P-C4' energy: -13.084 flat angles P-C4'-P energy: -5.493 tors. eta vs tors. theta energy: -15.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -198.860793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.860793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.860793 (E_RNA) where: Base-Base interactions energy: -139.686 where: short stacking energy: -59.772 Base-Backbone interact. energy: -0.002 local terms energy: -59.172117 where: bonds (distance) C4'-P energy: -12.071 bonds (distance) P-C4' energy: -8.988 flat angles C4'-P-C4' energy: -11.781 flat angles P-C4'-P energy: -8.099 tors. eta vs tors. theta energy: -18.233 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: 2 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -195.935577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.935577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.935577 (E_RNA) where: Base-Base interactions energy: -133.998 where: short stacking energy: -57.417 Base-Backbone interact. energy: -0.050 local terms energy: -61.887393 where: bonds (distance) C4'-P energy: -12.058 bonds (distance) P-C4' energy: -12.155 flat angles C4'-P-C4' energy: -12.979 flat angles P-C4'-P energy: -10.351 tors. eta vs tors. theta energy: -14.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -191.515384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.515384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.515384 (E_RNA) where: Base-Base interactions energy: -128.727 where: short stacking energy: -52.471 Base-Backbone interact. energy: -0.019 local terms energy: -62.770074 where: bonds (distance) C4'-P energy: -12.954 bonds (distance) P-C4' energy: -15.079 flat angles C4'-P-C4' energy: -13.694 flat angles P-C4'-P energy: -7.035 tors. eta vs tors. theta energy: -14.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -189.315372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.315372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.315372 (E_RNA) where: Base-Base interactions energy: -129.339 where: short stacking energy: -50.883 Base-Backbone interact. energy: -0.002 local terms energy: -59.974120 where: bonds (distance) C4'-P energy: -9.880 bonds (distance) P-C4' energy: -9.300 flat angles C4'-P-C4' energy: -15.157 flat angles P-C4'-P energy: -8.420 tors. eta vs tors. theta energy: -17.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -175.707249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.707249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.707249 (E_RNA) where: Base-Base interactions energy: -119.760 where: short stacking energy: -53.449 Base-Backbone interact. energy: -0.064 local terms energy: -55.883464 where: bonds (distance) C4'-P energy: -13.806 bonds (distance) P-C4' energy: -8.506 flat angles C4'-P-C4' energy: -14.026 flat angles P-C4'-P energy: -7.528 tors. eta vs tors. theta energy: -12.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -179.101288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.101288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.101288 (E_RNA) where: Base-Base interactions energy: -124.150 where: short stacking energy: -47.899 Base-Backbone interact. energy: -0.028 local terms energy: -54.923659 where: bonds (distance) C4'-P energy: -8.564 bonds (distance) P-C4' energy: -9.692 flat angles C4'-P-C4' energy: -11.266 flat angles P-C4'-P energy: -9.244 tors. eta vs tors. theta energy: -16.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -62.956157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.956157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.956157 (E_RNA) where: Base-Base interactions energy: -22.324 where: short stacking energy: -21.887 Base-Backbone interact. energy: -0.031 local terms energy: -40.600603 where: bonds (distance) C4'-P energy: -11.661 bonds (distance) P-C4' energy: -7.288 flat angles C4'-P-C4' energy: -9.498 flat angles P-C4'-P energy: -8.948 tors. eta vs tors. theta energy: -3.206 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: 8 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -64.955170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.955170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.955170 (E_RNA) where: Base-Base interactions energy: -22.946 where: short stacking energy: -22.946 Base-Backbone interact. energy: -0.430 local terms energy: -41.578430 where: bonds (distance) C4'-P energy: -9.119 bonds (distance) P-C4' energy: -9.806 flat angles C4'-P-C4' energy: -11.506 flat angles P-C4'-P energy: -9.517 tors. eta vs tors. theta energy: -1.629 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: 5 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -203.443501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.443501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.443501 (E_RNA) where: Base-Base interactions energy: -135.493 where: short stacking energy: -62.591 Base-Backbone interact. energy: -0.006 local terms energy: -67.944932 where: bonds (distance) C4'-P energy: -11.878 bonds (distance) P-C4' energy: -14.849 flat angles C4'-P-C4' energy: -14.164 flat angles P-C4'-P energy: -10.401 tors. eta vs tors. theta energy: -16.653 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: 4 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -204.238108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.238108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.238108 (E_RNA) where: Base-Base interactions energy: -136.882 where: short stacking energy: -58.945 Base-Backbone interact. energy: -0.720 local terms energy: -66.636406 where: bonds (distance) C4'-P energy: -12.741 bonds (distance) P-C4' energy: -14.385 flat angles C4'-P-C4' energy: -12.141 flat angles P-C4'-P energy: -10.156 tors. eta vs tors. theta energy: -17.213 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: 10 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -190.113494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.113494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.113494 (E_RNA) where: Base-Base interactions energy: -130.844 where: short stacking energy: -53.394 Base-Backbone interact. energy: -0.143 local terms energy: -59.126345 where: bonds (distance) C4'-P energy: -13.044 bonds (distance) P-C4' energy: -11.909 flat angles C4'-P-C4' energy: -13.128 flat angles P-C4'-P energy: -6.070 tors. eta vs tors. theta energy: -14.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -195.330078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.330078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.330078 (E_RNA) where: Base-Base interactions energy: -140.116 where: short stacking energy: -62.363 Base-Backbone interact. energy: -0.003 local terms energy: -55.211220 where: bonds (distance) C4'-P energy: -10.312 bonds (distance) P-C4' energy: -10.252 flat angles C4'-P-C4' energy: -11.918 flat angles P-C4'-P energy: -7.645 tors. eta vs tors. theta energy: -15.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -179.714874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.714874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.714874 (E_RNA) where: Base-Base interactions energy: -118.506 where: short stacking energy: -55.110 Base-Backbone interact. energy: -0.001 local terms energy: -61.207120 where: bonds (distance) C4'-P energy: -13.003 bonds (distance) P-C4' energy: -13.898 flat angles C4'-P-C4' energy: -11.135 flat angles P-C4'-P energy: -8.525 tors. eta vs tors. theta energy: -14.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -180.093530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.093530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.093530 (E_RNA) where: Base-Base interactions energy: -123.080 where: short stacking energy: -48.090 Base-Backbone interact. energy: -0.001 local terms energy: -57.012552 where: bonds (distance) C4'-P energy: -11.566 bonds (distance) P-C4' energy: -14.410 flat angles C4'-P-C4' energy: -12.398 flat angles P-C4'-P energy: -6.482 tors. eta vs tors. theta energy: -12.157 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: 1 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -188.595035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.595035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.595035 (E_RNA) where: Base-Base interactions energy: -136.064 where: short stacking energy: -49.009 Base-Backbone interact. energy: -0.004 local terms energy: -52.526723 where: bonds (distance) C4'-P energy: -5.182 bonds (distance) P-C4' energy: -8.813 flat angles C4'-P-C4' energy: -13.072 flat angles P-C4'-P energy: -9.748 tors. eta vs tors. theta energy: -15.712 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: 7 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -189.684294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.684294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.684294 (E_RNA) where: Base-Base interactions energy: -134.448 where: short stacking energy: -61.026 Base-Backbone interact. energy: -0.001 local terms energy: -55.235067 where: bonds (distance) C4'-P energy: -7.406 bonds (distance) P-C4' energy: -11.971 flat angles C4'-P-C4' energy: -12.421 flat angles P-C4'-P energy: -8.703 tors. eta vs tors. theta energy: -14.734 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: 9, replica: 3 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -68.476892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.476892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.476892 (E_RNA) where: Base-Base interactions energy: -24.820 where: short stacking energy: -21.829 Base-Backbone interact. energy: -0.399 local terms energy: -43.257858 where: bonds (distance) C4'-P energy: -8.685 bonds (distance) P-C4' energy: -12.733 flat angles C4'-P-C4' energy: -11.711 flat angles P-C4'-P energy: -9.367 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: 10, replica: 8 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -61.304369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.304369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.304369 (E_RNA) where: Base-Base interactions energy: -14.660 where: short stacking energy: -14.494 Base-Backbone interact. energy: -0.090 local terms energy: -46.553610 where: bonds (distance) C4'-P energy: -13.747 bonds (distance) P-C4' energy: -13.110 flat angles C4'-P-C4' energy: -11.614 flat angles P-C4'-P energy: -5.400 tors. eta vs tors. theta energy: -2.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -204.442529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.442529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.442529 (E_RNA) where: Base-Base interactions energy: -145.159 where: short stacking energy: -58.547 Base-Backbone interact. energy: -0.006 local terms energy: -59.277039 where: bonds (distance) C4'-P energy: -12.956 bonds (distance) P-C4' energy: -11.091 flat angles C4'-P-C4' energy: -12.124 flat angles P-C4'-P energy: -5.297 tors. eta vs tors. theta energy: -17.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -198.511162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.511162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.511162 (E_RNA) where: Base-Base interactions energy: -134.092 where: short stacking energy: -56.764 Base-Backbone interact. energy: -0.001 local terms energy: -64.418572 where: bonds (distance) C4'-P energy: -11.987 bonds (distance) P-C4' energy: -13.070 flat angles C4'-P-C4' energy: -14.002 flat angles P-C4'-P energy: -9.724 tors. eta vs tors. theta energy: -15.635 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: 6 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -197.769524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.769524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.769524 (E_RNA) where: Base-Base interactions energy: -138.501 where: short stacking energy: -59.004 Base-Backbone interact. energy: -0.005 local terms energy: -59.263941 where: bonds (distance) C4'-P energy: -9.665 bonds (distance) P-C4' energy: -12.180 flat angles C4'-P-C4' energy: -15.036 flat angles P-C4'-P energy: -6.035 tors. eta vs tors. theta energy: -16.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -188.798921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.798921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.798921 (E_RNA) where: Base-Base interactions energy: -134.945 where: short stacking energy: -58.983 Base-Backbone interact. energy: -0.001 local terms energy: -53.853132 where: bonds (distance) C4'-P energy: -11.073 bonds (distance) P-C4' energy: -7.645 flat angles C4'-P-C4' energy: -10.919 flat angles P-C4'-P energy: -9.124 tors. eta vs tors. theta energy: -15.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -178.234791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.234791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.234791 (E_RNA) where: Base-Base interactions energy: -122.732 where: short stacking energy: -49.443 Base-Backbone interact. energy: -0.528 local terms energy: -54.975229 where: bonds (distance) C4'-P energy: -8.883 bonds (distance) P-C4' energy: -10.184 flat angles C4'-P-C4' energy: -12.964 flat angles P-C4'-P energy: -9.182 tors. eta vs tors. theta energy: -13.763 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: 2 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -167.186200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.186200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.186200 (E_RNA) where: Base-Base interactions energy: -116.543 where: short stacking energy: -44.831 Base-Backbone interact. energy: -0.192 local terms energy: -50.451271 where: bonds (distance) C4'-P energy: -9.740 bonds (distance) P-C4' energy: -11.887 flat angles C4'-P-C4' energy: -11.853 flat angles P-C4'-P energy: -9.359 tors. eta vs tors. theta energy: -7.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -184.168254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.168254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.168254 (E_RNA) where: Base-Base interactions energy: -133.703 where: short stacking energy: -55.356 Base-Backbone interact. energy: -0.002 local terms energy: -50.463065 where: bonds (distance) C4'-P energy: -11.214 bonds (distance) P-C4' energy: -5.017 flat angles C4'-P-C4' energy: -12.158 flat angles P-C4'-P energy: -6.950 tors. eta vs tors. theta energy: -15.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -178.627657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.627657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.627657 (E_RNA) where: Base-Base interactions energy: -120.878 where: short stacking energy: -51.830 Base-Backbone interact. energy: -0.010 local terms energy: -57.739736 where: bonds (distance) C4'-P energy: -7.393 bonds (distance) P-C4' energy: -14.368 flat angles C4'-P-C4' energy: -13.094 flat angles P-C4'-P energy: -7.688 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: 9, replica: 8 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -71.579949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.579949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.579949 (E_RNA) where: Base-Base interactions energy: -27.548 where: short stacking energy: -24.876 Base-Backbone interact. energy: -0.015 local terms energy: -44.016886 where: bonds (distance) C4'-P energy: -12.857 bonds (distance) P-C4' energy: -12.498 flat angles C4'-P-C4' energy: -8.892 flat angles P-C4'-P energy: -9.462 tors. eta vs tors. theta energy: -0.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -75.435972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.435972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.435972 (E_RNA) where: Base-Base interactions energy: -21.272 where: short stacking energy: -21.272 Base-Backbone interact. energy: -0.018 local terms energy: -54.146253 where: bonds (distance) C4'-P energy: -12.038 bonds (distance) P-C4' energy: -14.668 flat angles C4'-P-C4' energy: -11.853 flat angles P-C4'-P energy: -11.024 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: 1, replica: 5 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -207.160456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.160456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.160456 (E_RNA) where: Base-Base interactions energy: -149.829 where: short stacking energy: -64.717 Base-Backbone interact. energy: -0.004 local terms energy: -57.327642 where: bonds (distance) C4'-P energy: -14.555 bonds (distance) P-C4' energy: -13.601 flat angles C4'-P-C4' energy: -9.666 flat angles P-C4'-P energy: -2.205 tors. eta vs tors. theta energy: -17.300 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: 6 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -183.917546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.917546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.917546 (E_RNA) where: Base-Base interactions energy: -126.082 where: short stacking energy: -48.047 Base-Backbone interact. energy: -0.487 local terms energy: -57.348856 where: bonds (distance) C4'-P energy: -13.292 bonds (distance) P-C4' energy: -12.602 flat angles C4'-P-C4' energy: -9.018 flat angles P-C4'-P energy: -9.873 tors. eta vs tors. theta energy: -12.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -200.098808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.098808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.098808 (E_RNA) where: Base-Base interactions energy: -135.731 where: short stacking energy: -55.356 Base-Backbone interact. energy: -0.000 local terms energy: -64.367579 where: bonds (distance) C4'-P energy: -12.841 bonds (distance) P-C4' energy: -12.460 flat angles C4'-P-C4' energy: -12.894 flat angles P-C4'-P energy: -10.117 tors. eta vs tors. theta energy: -16.056 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: 4, replica: 9 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -197.558494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.558494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.558494 (E_RNA) where: Base-Base interactions energy: -133.662 where: short stacking energy: -54.495 Base-Backbone interact. energy: -0.387 local terms energy: -63.509118 where: bonds (distance) C4'-P energy: -13.043 bonds (distance) P-C4' energy: -11.321 flat angles C4'-P-C4' energy: -14.876 flat angles P-C4'-P energy: -8.363 tors. eta vs tors. theta energy: -15.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -175.540718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.540718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.540718 (E_RNA) where: Base-Base interactions energy: -124.080 where: short stacking energy: -54.074 Base-Backbone interact. energy: -0.005 local terms energy: -51.455870 where: bonds (distance) C4'-P energy: -9.728 bonds (distance) P-C4' energy: -8.944 flat angles C4'-P-C4' energy: -11.232 flat angles P-C4'-P energy: -8.634 tors. eta vs tors. theta energy: -12.918 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: 1 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -185.198623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.198623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.198623 (E_RNA) where: Base-Base interactions energy: -126.121 where: short stacking energy: -52.052 Base-Backbone interact. energy: -0.633 local terms energy: -58.444929 where: bonds (distance) C4'-P energy: -8.291 bonds (distance) P-C4' energy: -10.677 flat angles C4'-P-C4' energy: -13.221 flat angles P-C4'-P energy: -8.820 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: 7, replica: 2 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -181.457713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.457713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.457713 (E_RNA) where: Base-Base interactions energy: -123.366 where: short stacking energy: -49.981 Base-Backbone interact. energy: -0.078 local terms energy: -58.013309 where: bonds (distance) C4'-P energy: -8.089 bonds (distance) P-C4' energy: -12.338 flat angles C4'-P-C4' energy: -12.810 flat angles P-C4'-P energy: -10.271 tors. eta vs tors. theta energy: -14.507 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: 7 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -176.563850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.563850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.563850 (E_RNA) where: Base-Base interactions energy: -114.215 where: short stacking energy: -50.793 Base-Backbone interact. energy: -0.034 local terms energy: -62.315108 where: bonds (distance) C4'-P energy: -13.326 bonds (distance) P-C4' energy: -14.033 flat angles C4'-P-C4' energy: -10.989 flat angles P-C4'-P energy: -7.830 tors. eta vs tors. theta energy: -16.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -72.395194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.395194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.395194 (E_RNA) where: Base-Base interactions energy: -30.257 where: short stacking energy: -28.621 Base-Backbone interact. energy: 0.373 local terms energy: -42.510549 where: bonds (distance) C4'-P energy: -12.556 bonds (distance) P-C4' energy: -11.129 flat angles C4'-P-C4' energy: -7.903 flat angles P-C4'-P energy: -5.542 tors. eta vs tors. theta energy: -5.380 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: 10, replica: 3 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -63.204992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.204992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.204992 (E_RNA) where: Base-Base interactions energy: -19.272 where: short stacking energy: -18.662 Base-Backbone interact. energy: -0.041 local terms energy: -43.891849 where: bonds (distance) C4'-P energy: -10.992 bonds (distance) P-C4' energy: -11.281 flat angles C4'-P-C4' energy: -8.371 flat angles P-C4'-P energy: -10.224 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: 6 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -193.378057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.378057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.378057 (E_RNA) where: Base-Base interactions energy: -132.975 where: short stacking energy: -51.503 Base-Backbone interact. energy: -0.396 local terms energy: -60.006930 where: bonds (distance) C4'-P energy: -9.847 bonds (distance) P-C4' energy: -12.266 flat angles C4'-P-C4' energy: -14.760 flat angles P-C4'-P energy: -9.070 tors. eta vs tors. theta energy: -14.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -202.325877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.325877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.325877 (E_RNA) where: Base-Base interactions energy: -137.643 where: short stacking energy: -55.003 Base-Backbone interact. energy: -0.002 local terms energy: -64.681021 where: bonds (distance) C4'-P energy: -13.620 bonds (distance) P-C4' energy: -11.709 flat angles C4'-P-C4' energy: -14.812 flat angles P-C4'-P energy: -8.032 tors. eta vs tors. theta energy: -16.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -202.488060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.488060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.488060 (E_RNA) where: Base-Base interactions energy: -140.995 where: short stacking energy: -57.602 Base-Backbone interact. energy: 0.302 local terms energy: -61.794898 where: bonds (distance) C4'-P energy: -10.998 bonds (distance) P-C4' energy: -13.050 flat angles C4'-P-C4' energy: -11.810 flat angles P-C4'-P energy: -10.811 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: 4, replica: 4 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -197.036020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.036020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.036020 (E_RNA) where: Base-Base interactions energy: -132.253 where: short stacking energy: -60.605 Base-Backbone interact. energy: -0.101 local terms energy: -64.682488 where: bonds (distance) C4'-P energy: -13.532 bonds (distance) P-C4' energy: -14.846 flat angles C4'-P-C4' energy: -13.809 flat angles P-C4'-P energy: -6.105 tors. eta vs tors. theta energy: -16.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -191.497193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.497193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.497193 (E_RNA) where: Base-Base interactions energy: -133.567 where: short stacking energy: -57.277 Base-Backbone interact. energy: -0.763 local terms energy: -57.166928 where: bonds (distance) C4'-P energy: -12.573 bonds (distance) P-C4' energy: -11.948 flat angles C4'-P-C4' energy: -10.759 flat angles P-C4'-P energy: -7.571 tors. eta vs tors. theta energy: -14.317 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: 10 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -186.409254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.409254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.409254 (E_RNA) where: Base-Base interactions energy: -128.093 where: short stacking energy: -53.736 Base-Backbone interact. energy: -0.011 local terms energy: -58.304819 where: bonds (distance) C4'-P energy: -8.445 bonds (distance) P-C4' energy: -9.536 flat angles C4'-P-C4' energy: -14.231 flat angles P-C4'-P energy: -9.269 tors. eta vs tors. theta energy: -16.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -188.630968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.630968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.630968 (E_RNA) where: Base-Base interactions energy: -133.759 where: short stacking energy: -56.549 Base-Backbone interact. energy: -0.001 local terms energy: -54.871041 where: bonds (distance) C4'-P energy: -12.643 bonds (distance) P-C4' energy: -8.859 flat angles C4'-P-C4' energy: -10.422 flat angles P-C4'-P energy: -8.063 tors. eta vs tors. theta energy: -14.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -176.134987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.134987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.134987 (E_RNA) where: Base-Base interactions energy: -115.392 where: short stacking energy: -43.703 Base-Backbone interact. energy: -0.039 local terms energy: -60.703318 where: bonds (distance) C4'-P energy: -12.447 bonds (distance) P-C4' energy: -13.017 flat angles C4'-P-C4' energy: -11.779 flat angles P-C4'-P energy: -9.244 tors. eta vs tors. theta energy: -14.216 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: 3 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -68.202153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.202153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.202153 (E_RNA) where: Base-Base interactions energy: -26.937 where: short stacking energy: -26.937 Base-Backbone interact. energy: -0.095 local terms energy: -41.169651 where: bonds (distance) C4'-P energy: -5.749 bonds (distance) P-C4' energy: -8.297 flat angles C4'-P-C4' energy: -11.962 flat angles P-C4'-P energy: -8.270 tors. eta vs tors. theta energy: -6.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -65.947490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.947490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.947490 (E_RNA) where: Base-Base interactions energy: -18.321 where: short stacking energy: -17.767 Base-Backbone interact. energy: -0.146 local terms energy: -47.480510 where: bonds (distance) C4'-P energy: -11.972 bonds (distance) P-C4' energy: -15.075 flat angles C4'-P-C4' energy: -13.102 flat angles P-C4'-P energy: -6.204 tors. eta vs tors. theta energy: -1.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -208.484196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.484196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.484196 (E_RNA) where: Base-Base interactions energy: -143.881 where: short stacking energy: -61.372 Base-Backbone interact. energy: -0.001 local terms energy: -64.602194 where: bonds (distance) C4'-P energy: -11.967 bonds (distance) P-C4' energy: -12.426 flat angles C4'-P-C4' energy: -13.139 flat angles P-C4'-P energy: -9.297 tors. eta vs tors. theta energy: -17.773 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: 2, replica: 5 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -207.717136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.717136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.717136 (E_RNA) where: Base-Base interactions energy: -144.740 where: short stacking energy: -60.752 Base-Backbone interact. energy: -0.001 local terms energy: -62.976690 where: bonds (distance) C4'-P energy: -13.155 bonds (distance) P-C4' energy: -13.458 flat angles C4'-P-C4' energy: -12.761 flat angles P-C4'-P energy: -8.426 tors. eta vs tors. theta energy: -15.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -196.927376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.927376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.927376 (E_RNA) where: Base-Base interactions energy: -132.118 where: short stacking energy: -59.323 Base-Backbone interact. energy: -0.023 local terms energy: -64.786676 where: bonds (distance) C4'-P energy: -13.565 bonds (distance) P-C4' energy: -13.433 flat angles C4'-P-C4' energy: -12.889 flat angles P-C4'-P energy: -9.254 tors. eta vs tors. theta energy: -15.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -183.631453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.631453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.631453 (E_RNA) where: Base-Base interactions energy: -127.498 where: short stacking energy: -50.829 Base-Backbone interact. energy: -0.125 local terms energy: -56.008748 where: bonds (distance) C4'-P energy: -11.550 bonds (distance) P-C4' energy: -13.845 flat angles C4'-P-C4' energy: -14.005 flat angles P-C4'-P energy: -5.286 tors. eta vs tors. theta energy: -11.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -184.707335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.707335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.707335 (E_RNA) where: Base-Base interactions energy: -129.854 where: short stacking energy: -52.685 Base-Backbone interact. energy: -0.142 local terms energy: -54.712260 where: bonds (distance) C4'-P energy: -9.029 bonds (distance) P-C4' energy: -12.824 flat angles C4'-P-C4' energy: -9.680 flat angles P-C4'-P energy: -7.508 tors. eta vs tors. theta energy: -15.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -176.667705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.667705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.667705 (E_RNA) where: Base-Base interactions energy: -121.233 where: short stacking energy: -49.212 Base-Backbone interact. energy: -0.723 local terms energy: -54.711272 where: bonds (distance) C4'-P energy: -8.423 bonds (distance) P-C4' energy: -12.638 flat angles C4'-P-C4' energy: -12.048 flat angles P-C4'-P energy: -9.118 tors. eta vs tors. theta energy: -12.485 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: 7, replica: 10 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -181.103954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.103954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.103954 (E_RNA) where: Base-Base interactions energy: -119.707 where: short stacking energy: -53.914 Base-Backbone interact. energy: -0.019 local terms energy: -61.377555 where: bonds (distance) C4'-P energy: -9.346 bonds (distance) P-C4' energy: -11.482 flat angles C4'-P-C4' energy: -14.063 flat angles P-C4'-P energy: -11.226 tors. eta vs tors. theta energy: -15.262 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: 313 Temperature: 1.250000 Total energy: -169.922707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.922707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.922707 (E_RNA) where: Base-Base interactions energy: -115.783 where: short stacking energy: -51.610 Base-Backbone interact. energy: -0.003 local terms energy: -54.135939 where: bonds (distance) C4'-P energy: -5.824 bonds (distance) P-C4' energy: -12.374 flat angles C4'-P-C4' energy: -12.230 flat angles P-C4'-P energy: -9.043 tors. eta vs tors. theta energy: -14.665 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: 3 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -68.104016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.104016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.104016 (E_RNA) where: Base-Base interactions energy: -25.163 where: short stacking energy: -25.163 Base-Backbone interact. energy: -0.000 local terms energy: -42.940621 where: bonds (distance) C4'-P energy: -12.025 bonds (distance) P-C4' energy: -11.394 flat angles C4'-P-C4' energy: -12.475 flat angles P-C4'-P energy: -3.718 tors. eta vs tors. theta energy: -3.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -86.860530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.860530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.860530 (E_RNA) where: Base-Base interactions energy: -46.749 where: short stacking energy: -26.566 Base-Backbone interact. energy: -0.113 local terms energy: -39.997643 where: bonds (distance) C4'-P energy: -4.598 bonds (distance) P-C4' energy: -13.344 flat angles C4'-P-C4' energy: -11.636 flat angles P-C4'-P energy: -10.327 tors. eta vs tors. theta energy: -0.093 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: 5 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -202.350981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.350981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.350981 (E_RNA) where: Base-Base interactions energy: -140.917 where: short stacking energy: -57.464 Base-Backbone interact. energy: -0.221 local terms energy: -61.212741 where: bonds (distance) C4'-P energy: -11.280 bonds (distance) P-C4' energy: -12.320 flat angles C4'-P-C4' energy: -13.546 flat angles P-C4'-P energy: -7.973 tors. eta vs tors. theta energy: -16.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -203.436383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.436383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.436383 (E_RNA) where: Base-Base interactions energy: -144.097 where: short stacking energy: -62.244 Base-Backbone interact. energy: -0.001 local terms energy: -59.338034 where: bonds (distance) C4'-P energy: -12.775 bonds (distance) P-C4' energy: -8.803 flat angles C4'-P-C4' energy: -14.756 flat angles P-C4'-P energy: -7.280 tors. eta vs tors. theta energy: -15.724 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: 9 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -195.927738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.927738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.927738 (E_RNA) where: Base-Base interactions energy: -135.218 where: short stacking energy: -59.167 Base-Backbone interact. energy: -0.030 local terms energy: -60.680384 where: bonds (distance) C4'-P energy: -12.163 bonds (distance) P-C4' energy: -13.411 flat angles C4'-P-C4' energy: -13.557 flat angles P-C4'-P energy: -5.628 tors. eta vs tors. theta energy: -15.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -187.530558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.530558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.530558 (E_RNA) where: Base-Base interactions energy: -122.623 where: short stacking energy: -52.007 Base-Backbone interact. energy: 0.684 local terms energy: -65.591724 where: bonds (distance) C4'-P energy: -13.648 bonds (distance) P-C4' energy: -12.101 flat angles C4'-P-C4' energy: -14.487 flat angles P-C4'-P energy: -8.583 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: 5, replica: 4 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -191.618325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.618325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.618325 (E_RNA) where: Base-Base interactions energy: -133.382 where: short stacking energy: -56.057 Base-Backbone interact. energy: -0.032 local terms energy: -58.204120 where: bonds (distance) C4'-P energy: -9.131 bonds (distance) P-C4' energy: -11.134 flat angles C4'-P-C4' energy: -12.642 flat angles P-C4'-P energy: -8.504 tors. eta vs tors. theta energy: -16.793 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: 314 Temperature: 1.150000 Total energy: -184.163653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.163653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.163653 (E_RNA) where: Base-Base interactions energy: -127.648 where: short stacking energy: -50.686 Base-Backbone interact. energy: -0.386 local terms energy: -56.129720 where: bonds (distance) C4'-P energy: -12.571 bonds (distance) P-C4' energy: -9.703 flat angles C4'-P-C4' energy: -14.546 flat angles P-C4'-P energy: -3.514 tors. eta vs tors. theta energy: -15.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -172.052179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.052179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.052179 (E_RNA) where: Base-Base interactions energy: -117.258 where: short stacking energy: -50.085 Base-Backbone interact. energy: -0.156 local terms energy: -54.637685 where: bonds (distance) C4'-P energy: -11.338 bonds (distance) P-C4' energy: -12.591 flat angles C4'-P-C4' energy: -11.360 flat angles P-C4'-P energy: -7.972 tors. eta vs tors. theta energy: -11.376 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: 8, replica: 10 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -178.524658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.524658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.524658 (E_RNA) where: Base-Base interactions energy: -121.903 where: short stacking energy: -45.276 Base-Backbone interact. energy: -0.115 local terms energy: -56.507262 where: bonds (distance) C4'-P energy: -12.617 bonds (distance) P-C4' energy: -12.850 flat angles C4'-P-C4' energy: -10.574 flat angles P-C4'-P energy: -7.792 tors. eta vs tors. theta energy: -12.674 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: 8 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -75.449065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.449065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.449065 (E_RNA) where: Base-Base interactions energy: -41.927 where: short stacking energy: -17.279 Base-Backbone interact. energy: -0.174 local terms energy: -33.347921 where: bonds (distance) C4'-P energy: -9.471 bonds (distance) P-C4' energy: -9.042 flat angles C4'-P-C4' energy: -7.998 flat angles P-C4'-P energy: -6.809 tors. eta vs tors. theta energy: -0.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -62.637503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.637503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.637503 (E_RNA) where: Base-Base interactions energy: -20.270 where: short stacking energy: -16.630 Base-Backbone interact. energy: -0.059 local terms energy: -42.308630 where: bonds (distance) C4'-P energy: -10.934 bonds (distance) P-C4' energy: -12.989 flat angles C4'-P-C4' energy: -10.158 flat angles P-C4'-P energy: -5.174 tors. eta vs tors. theta energy: -3.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -202.367863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.367863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.367863 (E_RNA) where: Base-Base interactions energy: -141.457 where: short stacking energy: -59.870 Base-Backbone interact. energy: -0.003 local terms energy: -60.907869 where: bonds (distance) C4'-P energy: -13.818 bonds (distance) P-C4' energy: -11.675 flat angles C4'-P-C4' energy: -11.965 flat angles P-C4'-P energy: -8.140 tors. eta vs tors. theta energy: -15.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -197.717356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.717356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.717356 (E_RNA) where: Base-Base interactions energy: -139.522 where: short stacking energy: -59.633 Base-Backbone interact. energy: -0.099 local terms energy: -58.096536 where: bonds (distance) C4'-P energy: -11.346 bonds (distance) P-C4' energy: -10.520 flat angles C4'-P-C4' energy: -11.639 flat angles P-C4'-P energy: -7.188 tors. eta vs tors. theta energy: -17.403 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: 6 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -192.630342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.630342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.630342 (E_RNA) where: Base-Base interactions energy: -132.044 where: short stacking energy: -53.479 Base-Backbone interact. energy: -0.018 local terms energy: -60.568571 where: bonds (distance) C4'-P energy: -10.303 bonds (distance) P-C4' energy: -12.570 flat angles C4'-P-C4' energy: -12.456 flat angles P-C4'-P energy: -11.216 tors. eta vs tors. theta energy: -14.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -194.823037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.823037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.823037 (E_RNA) where: Base-Base interactions energy: -136.532 where: short stacking energy: -54.855 Base-Backbone interact. energy: -0.003 local terms energy: -58.287817 where: bonds (distance) C4'-P energy: -11.633 bonds (distance) P-C4' energy: -14.445 flat angles C4'-P-C4' energy: -11.787 flat angles P-C4'-P energy: -6.301 tors. eta vs tors. theta energy: -14.121 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: 1 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -180.836334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.836334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.836334 (E_RNA) where: Base-Base interactions energy: -123.757 where: short stacking energy: -54.929 Base-Backbone interact. energy: -0.009 local terms energy: -57.070583 where: bonds (distance) C4'-P energy: -10.010 bonds (distance) P-C4' energy: -10.781 flat angles C4'-P-C4' energy: -12.006 flat angles P-C4'-P energy: -8.779 tors. eta vs tors. theta energy: -15.495 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: 2 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -187.183855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.183855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.183855 (E_RNA) where: Base-Base interactions energy: -135.104 where: short stacking energy: -56.643 Base-Backbone interact. energy: -0.611 local terms energy: -51.469334 where: bonds (distance) C4'-P energy: -8.405 bonds (distance) P-C4' energy: -7.343 flat angles C4'-P-C4' energy: -11.768 flat angles P-C4'-P energy: -7.759 tors. eta vs tors. theta energy: -16.194 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: 7 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -188.298194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.298194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.298194 (E_RNA) where: Base-Base interactions energy: -132.578 where: short stacking energy: -58.186 Base-Backbone interact. energy: -0.180 local terms energy: -55.539629 where: bonds (distance) C4'-P energy: -11.909 bonds (distance) P-C4' energy: -10.662 flat angles C4'-P-C4' energy: -10.380 flat angles P-C4'-P energy: -7.709 tors. eta vs tors. theta energy: -14.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -168.453477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.453477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.453477 (E_RNA) where: Base-Base interactions energy: -111.115 where: short stacking energy: -49.130 Base-Backbone interact. energy: -0.215 local terms energy: -57.124432 where: bonds (distance) C4'-P energy: -13.496 bonds (distance) P-C4' energy: -11.285 flat angles C4'-P-C4' energy: -13.039 flat angles P-C4'-P energy: -6.224 tors. eta vs tors. theta energy: -13.081 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: 8 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -68.781254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.781254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.781254 (E_RNA) where: Base-Base interactions energy: -28.091 where: short stacking energy: -19.372 Base-Backbone interact. energy: -0.008 local terms energy: -40.682074 where: bonds (distance) C4'-P energy: -13.442 bonds (distance) P-C4' energy: -12.917 flat angles C4'-P-C4' energy: -8.349 flat angles P-C4'-P energy: -3.528 tors. eta vs tors. theta energy: -2.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -64.698247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.698247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.698247 (E_RNA) where: Base-Base interactions energy: -29.877 where: short stacking energy: -24.759 Base-Backbone interact. energy: -0.130 local terms energy: -34.691245 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -9.003 flat angles C4'-P-C4' energy: -8.765 flat angles P-C4'-P energy: -6.603 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: 1, replica: 9 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -201.015987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.015987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.015987 (E_RNA) where: Base-Base interactions energy: -138.842 where: short stacking energy: -60.694 Base-Backbone interact. energy: -0.000 local terms energy: -62.174063 where: bonds (distance) C4'-P energy: -11.587 bonds (distance) P-C4' energy: -13.085 flat angles C4'-P-C4' energy: -13.004 flat angles P-C4'-P energy: -7.985 tors. eta vs tors. theta energy: -16.513 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: 5 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -194.771219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.771219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.771219 (E_RNA) where: Base-Base interactions energy: -134.036 where: short stacking energy: -53.300 Base-Backbone interact. energy: 0.104 local terms energy: -60.839082 where: bonds (distance) C4'-P energy: -12.597 bonds (distance) P-C4' energy: -11.997 flat angles C4'-P-C4' energy: -12.777 flat angles P-C4'-P energy: -9.625 tors. eta vs tors. theta energy: -13.843 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: 4 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -196.814498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.814498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.814498 (E_RNA) where: Base-Base interactions energy: -133.622 where: short stacking energy: -58.522 Base-Backbone interact. energy: -0.000 local terms energy: -63.191705 where: bonds (distance) C4'-P energy: -14.137 bonds (distance) P-C4' energy: -10.721 flat angles C4'-P-C4' energy: -15.222 flat angles P-C4'-P energy: -8.427 tors. eta vs tors. theta energy: -14.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -187.920993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.920993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.920993 (E_RNA) where: Base-Base interactions energy: -133.419 where: short stacking energy: -55.485 Base-Backbone interact. energy: -0.022 local terms energy: -54.479673 where: bonds (distance) C4'-P energy: -10.046 bonds (distance) P-C4' energy: -13.775 flat angles C4'-P-C4' energy: -9.054 flat angles P-C4'-P energy: -9.338 tors. eta vs tors. theta energy: -12.266 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: 2 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -186.759391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.759391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.759391 (E_RNA) where: Base-Base interactions energy: -131.256 where: short stacking energy: -48.574 Base-Backbone interact. energy: -0.006 local terms energy: -55.497139 where: bonds (distance) C4'-P energy: -8.460 bonds (distance) P-C4' energy: -11.280 flat angles C4'-P-C4' energy: -14.271 flat angles P-C4'-P energy: -6.519 tors. eta vs tors. theta energy: -14.966 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: 1 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -191.328177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.328177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.328177 (E_RNA) where: Base-Base interactions energy: -128.232 where: short stacking energy: -51.963 Base-Backbone interact. energy: -0.346 local terms energy: -62.750363 where: bonds (distance) C4'-P energy: -11.321 bonds (distance) P-C4' energy: -12.687 flat angles C4'-P-C4' energy: -12.407 flat angles P-C4'-P energy: -8.885 tors. eta vs tors. theta energy: -17.451 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: 7 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -189.215429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.215429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.215429 (E_RNA) where: Base-Base interactions energy: -130.465 where: short stacking energy: -56.482 Base-Backbone interact. energy: -0.001 local terms energy: -58.749662 where: bonds (distance) C4'-P energy: -12.597 bonds (distance) P-C4' energy: -11.696 flat angles C4'-P-C4' energy: -12.844 flat angles P-C4'-P energy: -6.325 tors. eta vs tors. theta energy: -15.288 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: 10 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -164.540730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.540730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.540730 (E_RNA) where: Base-Base interactions energy: -107.252 where: short stacking energy: -45.279 Base-Backbone interact. energy: -0.041 local terms energy: -57.247733 where: bonds (distance) C4'-P energy: -9.368 bonds (distance) P-C4' energy: -13.575 flat angles C4'-P-C4' energy: -11.858 flat angles P-C4'-P energy: -8.999 tors. eta vs tors. theta energy: -13.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -80.154321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.154321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.154321 (E_RNA) where: Base-Base interactions energy: -38.172 where: short stacking energy: -29.605 Base-Backbone interact. energy: 0.079 local terms energy: -42.060913 where: bonds (distance) C4'-P energy: -8.613 bonds (distance) P-C4' energy: -10.252 flat angles C4'-P-C4' energy: -10.718 flat angles P-C4'-P energy: -8.350 tors. eta vs tors. theta energy: -4.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -74.712623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.712623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.712623 (E_RNA) where: Base-Base interactions energy: -30.732 where: short stacking energy: -22.231 Base-Backbone interact. energy: -0.168 local terms energy: -43.813134 where: bonds (distance) C4'-P energy: -11.702 bonds (distance) P-C4' energy: -13.205 flat angles C4'-P-C4' energy: -8.525 flat angles P-C4'-P energy: -6.681 tors. eta vs tors. theta energy: -3.700 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: 1, replica: 9 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -205.557784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.557784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.557784 (E_RNA) where: Base-Base interactions energy: -140.975 where: short stacking energy: -62.677 Base-Backbone interact. energy: -0.165 local terms energy: -64.416965 where: bonds (distance) C4'-P energy: -10.452 bonds (distance) P-C4' energy: -13.638 flat angles C4'-P-C4' energy: -13.779 flat angles P-C4'-P energy: -10.422 tors. eta vs tors. theta energy: -16.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -198.042252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.042252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.042252 (E_RNA) where: Base-Base interactions energy: -136.771 where: short stacking energy: -58.613 Base-Backbone interact. energy: -0.099 local terms energy: -61.172349 where: bonds (distance) C4'-P energy: -13.119 bonds (distance) P-C4' energy: -8.588 flat angles C4'-P-C4' energy: -14.305 flat angles P-C4'-P energy: -7.641 tors. eta vs tors. theta energy: -17.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -197.555833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.555833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.555833 (E_RNA) where: Base-Base interactions energy: -138.334 where: short stacking energy: -58.397 Base-Backbone interact. energy: -0.005 local terms energy: -59.217413 where: bonds (distance) C4'-P energy: -12.718 bonds (distance) P-C4' energy: -11.129 flat angles C4'-P-C4' energy: -12.783 flat angles P-C4'-P energy: -8.398 tors. eta vs tors. theta energy: -14.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -183.011326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.011326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.011326 (E_RNA) where: Base-Base interactions energy: -128.280 where: short stacking energy: -53.384 Base-Backbone interact. energy: -0.038 local terms energy: -54.692930 where: bonds (distance) C4'-P energy: -7.135 bonds (distance) P-C4' energy: -9.966 flat angles C4'-P-C4' energy: -13.214 flat angles P-C4'-P energy: -9.243 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: 5, replica: 6 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -196.410506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.410506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.410506 (E_RNA) where: Base-Base interactions energy: -136.054 where: short stacking energy: -59.500 Base-Backbone interact. energy: -0.003 local terms energy: -60.352962 where: bonds (distance) C4'-P energy: -11.359 bonds (distance) P-C4' energy: -10.490 flat angles C4'-P-C4' energy: -14.035 flat angles P-C4'-P energy: -7.860 tors. eta vs tors. theta energy: -16.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -181.855859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.855859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.855859 (E_RNA) where: Base-Base interactions energy: -123.025 where: short stacking energy: -53.346 Base-Backbone interact. energy: -0.004 local terms energy: -58.827241 where: bonds (distance) C4'-P energy: -10.684 bonds (distance) P-C4' energy: -15.054 flat angles C4'-P-C4' energy: -10.898 flat angles P-C4'-P energy: -8.064 tors. eta vs tors. theta energy: -14.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -178.838751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.838751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.838751 (E_RNA) where: Base-Base interactions energy: -120.040 where: short stacking energy: -49.580 Base-Backbone interact. energy: -0.364 local terms energy: -58.434492 where: bonds (distance) C4'-P energy: -13.072 bonds (distance) P-C4' energy: -14.106 flat angles C4'-P-C4' energy: -11.324 flat angles P-C4'-P energy: -4.497 tors. eta vs tors. theta energy: -15.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -158.426296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.426296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.426296 (E_RNA) where: Base-Base interactions energy: -116.977 where: short stacking energy: -47.206 Base-Backbone interact. energy: -0.384 local terms energy: -41.065554 where: bonds (distance) C4'-P energy: -10.486 bonds (distance) P-C4' energy: -11.251 flat angles C4'-P-C4' energy: -7.256 flat angles P-C4'-P energy: -4.088 tors. eta vs tors. theta energy: -7.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -71.011487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.011487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.011487 (E_RNA) where: Base-Base interactions energy: -30.568 where: short stacking energy: -23.503 Base-Backbone interact. energy: -0.423 local terms energy: -40.020827 where: bonds (distance) C4'-P energy: -14.132 bonds (distance) P-C4' energy: -11.088 flat angles C4'-P-C4' energy: -2.683 flat angles P-C4'-P energy: -9.834 tors. eta vs tors. theta energy: -2.282 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: 8 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -70.412321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.412321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.412321 (E_RNA) where: Base-Base interactions energy: -24.658 where: short stacking energy: -14.807 Base-Backbone interact. energy: -0.150 local terms energy: -45.604713 where: bonds (distance) C4'-P energy: -14.563 bonds (distance) P-C4' energy: -10.571 flat angles C4'-P-C4' energy: -10.776 flat angles P-C4'-P energy: -9.367 tors. eta vs tors. theta energy: -0.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -204.749459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.749459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.749459 (E_RNA) where: Base-Base interactions energy: -142.523 where: short stacking energy: -61.078 Base-Backbone interact. energy: -0.000 local terms energy: -62.225810 where: bonds (distance) C4'-P energy: -9.405 bonds (distance) P-C4' energy: -11.098 flat angles C4'-P-C4' energy: -14.870 flat angles P-C4'-P energy: -9.160 tors. eta vs tors. theta energy: -17.692 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: 318 Temperature: 0.950000 Total energy: -202.507236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.507236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.507236 (E_RNA) where: Base-Base interactions energy: -137.721 where: short stacking energy: -57.691 Base-Backbone interact. energy: -1.017 local terms energy: -63.768890 where: bonds (distance) C4'-P energy: -12.406 bonds (distance) P-C4' energy: -13.142 flat angles C4'-P-C4' energy: -13.323 flat angles P-C4'-P energy: -7.168 tors. eta vs tors. theta energy: -17.730 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: 2 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -198.026026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.026026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.026026 (E_RNA) where: Base-Base interactions energy: -134.547 where: short stacking energy: -54.067 Base-Backbone interact. energy: -0.007 local terms energy: -63.471345 where: bonds (distance) C4'-P energy: -9.822 bonds (distance) P-C4' energy: -14.617 flat angles C4'-P-C4' energy: -13.489 flat angles P-C4'-P energy: -8.470 tors. eta vs tors. theta energy: -17.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -184.371609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.371609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.371609 (E_RNA) where: Base-Base interactions energy: -130.206 where: short stacking energy: -52.006 Base-Backbone interact. energy: -0.003 local terms energy: -54.162455 where: bonds (distance) C4'-P energy: -8.887 bonds (distance) P-C4' energy: -13.263 flat angles C4'-P-C4' energy: -10.309 flat angles P-C4'-P energy: -7.169 tors. eta vs tors. theta energy: -14.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -189.864211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.864211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.864211 (E_RNA) where: Base-Base interactions energy: -131.067 where: short stacking energy: -54.153 Base-Backbone interact. energy: -0.002 local terms energy: -58.795023 where: bonds (distance) C4'-P energy: -8.776 bonds (distance) P-C4' energy: -10.863 flat angles C4'-P-C4' energy: -12.743 flat angles P-C4'-P energy: -12.052 tors. eta vs tors. theta energy: -14.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -182.854345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.854345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.854345 (E_RNA) where: Base-Base interactions energy: -125.112 where: short stacking energy: -53.669 Base-Backbone interact. energy: -0.001 local terms energy: -57.741245 where: bonds (distance) C4'-P energy: -11.570 bonds (distance) P-C4' energy: -11.493 flat angles C4'-P-C4' energy: -10.012 flat angles P-C4'-P energy: -9.071 tors. eta vs tors. theta energy: -15.595 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: 10 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -170.118219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.118219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.118219 (E_RNA) where: Base-Base interactions energy: -123.260 where: short stacking energy: -52.330 Base-Backbone interact. energy: -0.251 local terms energy: -46.606975 where: bonds (distance) C4'-P energy: -5.583 bonds (distance) P-C4' energy: -12.814 flat angles C4'-P-C4' energy: -10.901 flat angles P-C4'-P energy: -6.063 tors. eta vs tors. theta energy: -11.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -178.302413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.302413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.302413 (E_RNA) where: Base-Base interactions energy: -122.164 where: short stacking energy: -47.634 Base-Backbone interact. energy: -0.004 local terms energy: -56.133665 where: bonds (distance) C4'-P energy: -13.798 bonds (distance) P-C4' energy: -7.791 flat angles C4'-P-C4' energy: -13.996 flat angles P-C4'-P energy: -9.821 tors. eta vs tors. theta energy: -10.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -70.189171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.189171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.189171 (E_RNA) where: Base-Base interactions energy: -31.667 where: short stacking energy: -22.742 Base-Backbone interact. energy: -0.114 local terms energy: -38.408001 where: bonds (distance) C4'-P energy: -11.863 bonds (distance) P-C4' energy: -11.619 flat angles C4'-P-C4' energy: -9.226 flat angles P-C4'-P energy: -3.835 tors. eta vs tors. theta energy: -1.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -66.611108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.611108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.611108 (E_RNA) where: Base-Base interactions energy: -32.676 where: short stacking energy: -14.458 Base-Backbone interact. energy: 1.019 local terms energy: -34.954722 where: bonds (distance) C4'-P energy: -9.500 bonds (distance) P-C4' energy: -8.250 flat angles C4'-P-C4' energy: -12.851 flat angles P-C4'-P energy: -5.363 tors. eta vs tors. theta energy: 1.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -201.329965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.329965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.329965 (E_RNA) where: Base-Base interactions energy: -135.501 where: short stacking energy: -54.321 Base-Backbone interact. energy: -0.002 local terms energy: -65.826466 where: bonds (distance) C4'-P energy: -11.791 bonds (distance) P-C4' energy: -11.902 flat angles C4'-P-C4' energy: -13.229 flat angles P-C4'-P energy: -10.876 tors. eta vs tors. theta energy: -18.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -202.040375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.040375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.040375 (E_RNA) where: Base-Base interactions energy: -144.056 where: short stacking energy: -62.115 Base-Backbone interact. energy: -0.124 local terms energy: -57.860448 where: bonds (distance) C4'-P energy: -9.903 bonds (distance) P-C4' energy: -10.609 flat angles C4'-P-C4' energy: -14.838 flat angles P-C4'-P energy: -7.194 tors. eta vs tors. theta energy: -15.316 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: 319 Temperature: 1.000000 Total energy: -201.002001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.002001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.002001 (E_RNA) where: Base-Base interactions energy: -142.995 where: short stacking energy: -62.693 Base-Backbone interact. energy: -0.001 local terms energy: -58.006272 where: bonds (distance) C4'-P energy: -12.038 bonds (distance) P-C4' energy: -7.612 flat angles C4'-P-C4' energy: -13.778 flat angles P-C4'-P energy: -7.599 tors. eta vs tors. theta energy: -16.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -185.843999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.843999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.843999 (E_RNA) where: Base-Base interactions energy: -130.554 where: short stacking energy: -55.941 Base-Backbone interact. energy: -0.001 local terms energy: -55.288398 where: bonds (distance) C4'-P energy: -11.918 bonds (distance) P-C4' energy: -9.985 flat angles C4'-P-C4' energy: -10.636 flat angles P-C4'-P energy: -8.841 tors. eta vs tors. theta energy: -13.908 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: 5 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -190.539245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.539245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.539245 (E_RNA) where: Base-Base interactions energy: -122.880 where: short stacking energy: -51.814 Base-Backbone interact. energy: -0.093 local terms energy: -67.566426 where: bonds (distance) C4'-P energy: -11.906 bonds (distance) P-C4' energy: -13.631 flat angles C4'-P-C4' energy: -14.385 flat angles P-C4'-P energy: -9.135 tors. eta vs tors. theta energy: -18.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -189.209044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.209044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.209044 (E_RNA) where: Base-Base interactions energy: -130.357 where: short stacking energy: -50.023 Base-Backbone interact. energy: -0.640 local terms energy: -58.211977 where: bonds (distance) C4'-P energy: -10.390 bonds (distance) P-C4' energy: -10.977 flat angles C4'-P-C4' energy: -12.890 flat angles P-C4'-P energy: -7.887 tors. eta vs tors. theta energy: -16.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -169.868784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.868784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.868784 (E_RNA) where: Base-Base interactions energy: -118.751 where: short stacking energy: -45.228 Base-Backbone interact. energy: -1.055 local terms energy: -50.063202 where: bonds (distance) C4'-P energy: -12.779 bonds (distance) P-C4' energy: -10.115 flat angles C4'-P-C4' energy: -11.539 flat angles P-C4'-P energy: -2.909 tors. eta vs tors. theta energy: -12.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -170.512451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.512451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.512451 (E_RNA) where: Base-Base interactions energy: -118.453 where: short stacking energy: -53.599 Base-Backbone interact. energy: -0.029 local terms energy: -52.029807 where: bonds (distance) C4'-P energy: -13.684 bonds (distance) P-C4' energy: -9.874 flat angles C4'-P-C4' energy: -8.978 flat angles P-C4'-P energy: -7.824 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: 9, replica: 8 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -74.143304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.143304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.143304 (E_RNA) where: Base-Base interactions energy: -26.499 where: short stacking energy: -22.248 Base-Backbone interact. energy: -0.160 local terms energy: -47.484448 where: bonds (distance) C4'-P energy: -12.886 bonds (distance) P-C4' energy: -14.646 flat angles C4'-P-C4' energy: -11.219 flat angles P-C4'-P energy: -7.022 tors. eta vs tors. theta energy: -1.711 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: 3 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -67.183479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.183479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.183479 (E_RNA) where: Base-Base interactions energy: -29.785 where: short stacking energy: -29.785 Base-Backbone interact. energy: -0.080 local terms energy: -37.318793 where: bonds (distance) C4'-P energy: -11.392 bonds (distance) P-C4' energy: -12.829 flat angles C4'-P-C4' energy: -10.146 flat angles P-C4'-P energy: 0.498 tors. eta vs tors. theta energy: -3.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -205.965205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.965205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.965205 (E_RNA) where: Base-Base interactions energy: -140.711 where: short stacking energy: -60.544 Base-Backbone interact. energy: -0.492 local terms energy: -64.762649 where: bonds (distance) C4'-P energy: -11.806 bonds (distance) P-C4' energy: -14.177 flat angles C4'-P-C4' energy: -13.420 flat angles P-C4'-P energy: -7.620 tors. eta vs tors. theta energy: -17.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -197.285017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.285017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.285017 (E_RNA) where: Base-Base interactions energy: -138.020 where: short stacking energy: -57.159 Base-Backbone interact. energy: -0.006 local terms energy: -59.258733 where: bonds (distance) C4'-P energy: -9.243 bonds (distance) P-C4' energy: -10.614 flat angles C4'-P-C4' energy: -12.602 flat angles P-C4'-P energy: -8.972 tors. eta vs tors. theta energy: -17.828 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: 9 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -195.733202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.733202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.733202 (E_RNA) where: Base-Base interactions energy: -134.577 where: short stacking energy: -58.807 Base-Backbone interact. energy: -0.006 local terms energy: -61.150124 where: bonds (distance) C4'-P energy: -14.779 bonds (distance) P-C4' energy: -9.952 flat angles C4'-P-C4' energy: -11.853 flat angles P-C4'-P energy: -7.305 tors. eta vs tors. theta energy: -17.262 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: 6 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -194.669335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.669335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.669335 (E_RNA) where: Base-Base interactions energy: -139.932 where: short stacking energy: -57.088 Base-Backbone interact. energy: -0.002 local terms energy: -54.735441 where: bonds (distance) C4'-P energy: -8.357 bonds (distance) P-C4' energy: -11.573 flat angles C4'-P-C4' energy: -12.924 flat angles P-C4'-P energy: -5.302 tors. eta vs tors. theta energy: -16.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -190.390150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.390150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.390150 (E_RNA) where: Base-Base interactions energy: -135.124 where: short stacking energy: -56.393 Base-Backbone interact. energy: -0.002 local terms energy: -55.264491 where: bonds (distance) C4'-P energy: -8.747 bonds (distance) P-C4' energy: -10.961 flat angles C4'-P-C4' energy: -11.117 flat angles P-C4'-P energy: -7.311 tors. eta vs tors. theta energy: -17.128 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: 5 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -177.636328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.636328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.636328 (E_RNA) where: Base-Base interactions energy: -123.866 where: short stacking energy: -51.696 Base-Backbone interact. energy: -0.383 local terms energy: -53.387811 where: bonds (distance) C4'-P energy: -12.374 bonds (distance) P-C4' energy: -7.898 flat angles C4'-P-C4' energy: -11.742 flat angles P-C4'-P energy: -8.102 tors. eta vs tors. theta energy: -13.273 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: 320 Temperature: 1.200000 Total energy: -175.604593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.604593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.604593 (E_RNA) where: Base-Base interactions energy: -120.888 where: short stacking energy: -54.713 Base-Backbone interact. energy: -0.012 local terms energy: -54.704830 where: bonds (distance) C4'-P energy: -9.574 bonds (distance) P-C4' energy: -11.237 flat angles C4'-P-C4' energy: -12.991 flat angles P-C4'-P energy: -8.601 tors. eta vs tors. theta energy: -12.302 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: 1 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -169.524916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.524916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.524916 (E_RNA) where: Base-Base interactions energy: -124.076 where: short stacking energy: -48.234 Base-Backbone interact. energy: 1.065 local terms energy: -46.514869 where: bonds (distance) C4'-P energy: -9.954 bonds (distance) P-C4' energy: -11.472 flat angles C4'-P-C4' energy: -12.059 flat angles P-C4'-P energy: -5.970 tors. eta vs tors. theta energy: -7.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -72.813620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.813620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.813620 (E_RNA) where: Base-Base interactions energy: -31.157 where: short stacking energy: -25.637 Base-Backbone interact. energy: -0.004 local terms energy: -41.652499 where: bonds (distance) C4'-P energy: -10.786 bonds (distance) P-C4' energy: -12.169 flat angles C4'-P-C4' energy: -10.269 flat angles P-C4'-P energy: -3.535 tors. eta vs tors. theta energy: -4.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -66.296718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.296718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.296718 (E_RNA) where: Base-Base interactions energy: -23.628 where: short stacking energy: -18.586 Base-Backbone interact. energy: -0.066 local terms energy: -42.602911 where: bonds (distance) C4'-P energy: -11.206 bonds (distance) P-C4' energy: -14.674 flat angles C4'-P-C4' energy: -9.766 flat angles P-C4'-P energy: -4.075 tors. eta vs tors. theta energy: -2.881 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: 4 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -202.625997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.625997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.625997 (E_RNA) where: Base-Base interactions energy: -139.643 where: short stacking energy: -60.517 Base-Backbone interact. energy: -0.576 local terms energy: -62.407346 where: bonds (distance) C4'-P energy: -12.999 bonds (distance) P-C4' energy: -10.070 flat angles C4'-P-C4' energy: -13.212 flat angles P-C4'-P energy: -10.837 tors. eta vs tors. theta energy: -15.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -202.655650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.655650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.655650 (E_RNA) where: Base-Base interactions energy: -135.268 where: short stacking energy: -58.658 Base-Backbone interact. energy: -0.000 local terms energy: -67.387638 where: bonds (distance) C4'-P energy: -12.721 bonds (distance) P-C4' energy: -14.138 flat angles C4'-P-C4' energy: -14.545 flat angles P-C4'-P energy: -10.638 tors. eta vs tors. theta energy: -15.346 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: 2 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -196.212485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.212485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.212485 (E_RNA) where: Base-Base interactions energy: -134.229 where: short stacking energy: -58.600 Base-Backbone interact. energy: -0.000 local terms energy: -61.983432 where: bonds (distance) C4'-P energy: -11.417 bonds (distance) P-C4' energy: -11.785 flat angles C4'-P-C4' energy: -14.587 flat angles P-C4'-P energy: -8.848 tors. eta vs tors. theta energy: -15.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -190.546487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.546487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.546487 (E_RNA) where: Base-Base interactions energy: -136.018 where: short stacking energy: -58.506 Base-Backbone interact. energy: -0.050 local terms energy: -54.479330 where: bonds (distance) C4'-P energy: -11.350 bonds (distance) P-C4' energy: -8.685 flat angles C4'-P-C4' energy: -12.748 flat angles P-C4'-P energy: -6.541 tors. eta vs tors. theta energy: -15.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -176.030302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.030302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.030302 (E_RNA) where: Base-Base interactions energy: -122.387 where: short stacking energy: -56.664 Base-Backbone interact. energy: -0.410 local terms energy: -53.233609 where: bonds (distance) C4'-P energy: -7.600 bonds (distance) P-C4' energy: -11.482 flat angles C4'-P-C4' energy: -8.994 flat angles P-C4'-P energy: -10.685 tors. eta vs tors. theta energy: -14.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -177.287721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.287721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.287721 (E_RNA) where: Base-Base interactions energy: -125.407 where: short stacking energy: -45.494 Base-Backbone interact. energy: -0.008 local terms energy: -51.872868 where: bonds (distance) C4'-P energy: -10.137 bonds (distance) P-C4' energy: -11.654 flat angles C4'-P-C4' energy: -11.083 flat angles P-C4'-P energy: -9.934 tors. eta vs tors. theta energy: -9.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -170.268696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.268696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.268696 (E_RNA) where: Base-Base interactions energy: -117.761 where: short stacking energy: -41.467 Base-Backbone interact. energy: -0.730 local terms energy: -51.777345 where: bonds (distance) C4'-P energy: -12.788 bonds (distance) P-C4' energy: -11.760 flat angles C4'-P-C4' energy: -12.719 flat angles P-C4'-P energy: -6.704 tors. eta vs tors. theta energy: -7.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -75.043946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.043946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.043946 (E_RNA) where: Base-Base interactions energy: -25.289 where: short stacking energy: -25.289 Base-Backbone interact. energy: -0.010 local terms energy: -49.744251 where: bonds (distance) C4'-P energy: -10.308 bonds (distance) P-C4' energy: -13.057 flat angles C4'-P-C4' energy: -13.746 flat angles P-C4'-P energy: -7.967 tors. eta vs tors. theta energy: -4.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -164.705272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.705272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.705272 (E_RNA) where: Base-Base interactions energy: -114.447 where: short stacking energy: -53.194 Base-Backbone interact. energy: -0.330 local terms energy: -49.928062 where: bonds (distance) C4'-P energy: -11.454 bonds (distance) P-C4' energy: -11.772 flat angles C4'-P-C4' energy: -9.948 flat angles P-C4'-P energy: -5.803 tors. eta vs tors. theta energy: -10.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -83.219778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.219778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.219778 (E_RNA) where: Base-Base interactions energy: -39.922 where: short stacking energy: -21.638 Base-Backbone interact. energy: 1.975 local terms energy: -45.272247 where: bonds (distance) C4'-P energy: -10.875 bonds (distance) P-C4' energy: -14.026 flat angles C4'-P-C4' energy: -9.785 flat angles P-C4'-P energy: -6.034 tors. eta vs tors. theta energy: -4.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -200.216188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.216188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.216188 (E_RNA) where: Base-Base interactions energy: -134.176 where: short stacking energy: -54.863 Base-Backbone interact. energy: -0.353 local terms energy: -65.688022 where: bonds (distance) C4'-P energy: -13.424 bonds (distance) P-C4' energy: -13.049 flat angles C4'-P-C4' energy: -12.043 flat angles P-C4'-P energy: -10.668 tors. eta vs tors. theta energy: -16.504 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: 4 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -203.214632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.214632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.214632 (E_RNA) where: Base-Base interactions energy: -136.011 where: short stacking energy: -53.793 Base-Backbone interact. energy: -0.355 local terms energy: -66.848096 where: bonds (distance) C4'-P energy: -14.245 bonds (distance) P-C4' energy: -14.392 flat angles C4'-P-C4' energy: -12.025 flat angles P-C4'-P energy: -10.556 tors. eta vs tors. theta energy: -15.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -198.174180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.174180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.174180 (E_RNA) where: Base-Base interactions energy: -139.758 where: short stacking energy: -61.657 Base-Backbone interact. energy: -0.156 local terms energy: -58.259978 where: bonds (distance) C4'-P energy: -11.222 bonds (distance) P-C4' energy: -13.045 flat angles C4'-P-C4' energy: -13.556 flat angles P-C4'-P energy: -4.712 tors. eta vs tors. theta energy: -15.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -192.754656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.754656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.754656 (E_RNA) where: Base-Base interactions energy: -133.647 where: short stacking energy: -55.085 Base-Backbone interact. energy: -0.042 local terms energy: -59.065542 where: bonds (distance) C4'-P energy: -10.532 bonds (distance) P-C4' energy: -13.278 flat angles C4'-P-C4' energy: -13.015 flat angles P-C4'-P energy: -8.251 tors. eta vs tors. theta energy: -13.990 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: 7 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -185.093989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.093989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.093989 (E_RNA) where: Base-Base interactions energy: -120.571 where: short stacking energy: -47.236 Base-Backbone interact. energy: -0.393 local terms energy: -64.129761 where: bonds (distance) C4'-P energy: -12.898 bonds (distance) P-C4' energy: -12.055 flat angles C4'-P-C4' energy: -13.242 flat angles P-C4'-P energy: -12.567 tors. eta vs tors. theta energy: -13.367 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: 322 Temperature: 1.150000 Total energy: -191.274256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.274256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.274256 (E_RNA) where: Base-Base interactions energy: -133.391 where: short stacking energy: -55.586 Base-Backbone interact. energy: -0.006 local terms energy: -57.877050 where: bonds (distance) C4'-P energy: -10.428 bonds (distance) P-C4' energy: -14.686 flat angles C4'-P-C4' energy: -11.799 flat angles P-C4'-P energy: -6.556 tors. eta vs tors. theta energy: -14.407 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: 5 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -182.895099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.895099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.895099 (E_RNA) where: Base-Base interactions energy: -129.632 where: short stacking energy: -56.449 Base-Backbone interact. energy: -0.001 local terms energy: -53.262313 where: bonds (distance) C4'-P energy: -9.464 bonds (distance) P-C4' energy: -7.098 flat angles C4'-P-C4' energy: -14.206 flat angles P-C4'-P energy: -5.079 tors. eta vs tors. theta energy: -17.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -76.231339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.231339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.231339 (E_RNA) where: Base-Base interactions energy: -30.819 where: short stacking energy: -30.183 Base-Backbone interact. energy: -0.105 local terms energy: -45.307220 where: bonds (distance) C4'-P energy: -10.175 bonds (distance) P-C4' energy: -14.653 flat angles C4'-P-C4' energy: -11.940 flat angles P-C4'-P energy: -7.702 tors. eta vs tors. theta energy: -0.838 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: 9, replica: 1 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -170.749444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.749444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.749444 (E_RNA) where: Base-Base interactions energy: -123.027 where: short stacking energy: -45.286 Base-Backbone interact. energy: 2.572 local terms energy: -50.294934 where: bonds (distance) C4'-P energy: -10.691 bonds (distance) P-C4' energy: -11.879 flat angles C4'-P-C4' energy: -8.991 flat angles P-C4'-P energy: -4.323 tors. eta vs tors. theta energy: -14.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -62.272856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.272856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.272856 (E_RNA) where: Base-Base interactions energy: -33.066 where: short stacking energy: -20.332 Base-Backbone interact. energy: -0.288 local terms energy: -28.918994 where: bonds (distance) C4'-P energy: -10.950 bonds (distance) P-C4' energy: -8.595 flat angles C4'-P-C4' energy: -4.806 flat angles P-C4'-P energy: -6.336 tors. eta vs tors. theta energy: 1.767 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: 9 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -206.067313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.067313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.067313 (E_RNA) where: Base-Base interactions energy: -137.658 where: short stacking energy: -62.893 Base-Backbone interact. energy: -0.000 local terms energy: -68.409193 where: bonds (distance) C4'-P energy: -13.672 bonds (distance) P-C4' energy: -12.177 flat angles C4'-P-C4' energy: -13.511 flat angles P-C4'-P energy: -10.804 tors. eta vs tors. theta energy: -18.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -204.987814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.987814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.987814 (E_RNA) where: Base-Base interactions energy: -139.785 where: short stacking energy: -57.500 Base-Backbone interact. energy: -0.000 local terms energy: -65.203170 where: bonds (distance) C4'-P energy: -13.561 bonds (distance) P-C4' energy: -13.466 flat angles C4'-P-C4' energy: -12.536 flat angles P-C4'-P energy: -8.033 tors. eta vs tors. theta energy: -17.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -199.368542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.368542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.368542 (E_RNA) where: Base-Base interactions energy: -135.862 where: short stacking energy: -56.622 Base-Backbone interact. energy: -1.061 local terms energy: -62.445471 where: bonds (distance) C4'-P energy: -14.012 bonds (distance) P-C4' energy: -11.750 flat angles C4'-P-C4' energy: -14.207 flat angles P-C4'-P energy: -6.189 tors. eta vs tors. theta energy: -16.288 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: 2 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -190.520141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.520141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.520141 (E_RNA) where: Base-Base interactions energy: -128.734 where: short stacking energy: -51.753 Base-Backbone interact. energy: -0.055 local terms energy: -61.731348 where: bonds (distance) C4'-P energy: -11.421 bonds (distance) P-C4' energy: -13.038 flat angles C4'-P-C4' energy: -14.284 flat angles P-C4'-P energy: -8.422 tors. eta vs tors. theta energy: -14.566 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: 5, replica: 7 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -180.717785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.717785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.717785 (E_RNA) where: Base-Base interactions energy: -124.925 where: short stacking energy: -51.509 Base-Backbone interact. energy: 0.160 local terms energy: -55.952473 where: bonds (distance) C4'-P energy: -10.153 bonds (distance) P-C4' energy: -9.150 flat angles C4'-P-C4' energy: -11.301 flat angles P-C4'-P energy: -8.789 tors. eta vs tors. theta energy: -16.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -175.900266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.900266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.900266 (E_RNA) where: Base-Base interactions energy: -118.895 where: short stacking energy: -54.382 Base-Backbone interact. energy: -0.089 local terms energy: -56.916709 where: bonds (distance) C4'-P energy: -13.221 bonds (distance) P-C4' energy: -12.623 flat angles C4'-P-C4' energy: -10.898 flat angles P-C4'-P energy: -6.768 tors. eta vs tors. theta energy: -13.407 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: 6 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -186.397828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.397828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.397828 (E_RNA) where: Base-Base interactions energy: -133.148 where: short stacking energy: -54.137 Base-Backbone interact. energy: -0.003 local terms energy: -53.246720 where: bonds (distance) C4'-P energy: -8.270 bonds (distance) P-C4' energy: -11.812 flat angles C4'-P-C4' energy: -11.861 flat angles P-C4'-P energy: -7.345 tors. eta vs tors. theta energy: -13.959 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: 1 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -164.589730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.589730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.589730 (E_RNA) where: Base-Base interactions energy: -116.701 where: short stacking energy: -44.416 Base-Backbone interact. energy: -0.035 local terms energy: -47.854527 where: bonds (distance) C4'-P energy: -10.833 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -9.960 flat angles P-C4'-P energy: -7.152 tors. eta vs tors. theta energy: -12.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -82.808663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.808663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.808663 (E_RNA) where: Base-Base interactions energy: -35.933 where: short stacking energy: -22.277 Base-Backbone interact. energy: -0.012 local terms energy: -46.863337 where: bonds (distance) C4'-P energy: -8.801 bonds (distance) P-C4' energy: -10.815 flat angles C4'-P-C4' energy: -14.641 flat angles P-C4'-P energy: -6.759 tors. eta vs tors. theta energy: -5.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -57.840482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.840482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.840482 (E_RNA) where: Base-Base interactions energy: -16.813 where: short stacking energy: -16.813 Base-Backbone interact. energy: -0.909 local terms energy: -40.117869 where: bonds (distance) C4'-P energy: -11.951 bonds (distance) P-C4' energy: -10.015 flat angles C4'-P-C4' energy: -8.021 flat angles P-C4'-P energy: -10.450 tors. eta vs tors. theta energy: 0.319 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: 1, replica: 10 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -210.010786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.010786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.010786 (E_RNA) where: Base-Base interactions energy: -141.530 where: short stacking energy: -58.954 Base-Backbone interact. energy: -1.209 local terms energy: -67.272029 where: bonds (distance) C4'-P energy: -11.773 bonds (distance) P-C4' energy: -13.610 flat angles C4'-P-C4' energy: -14.576 flat angles P-C4'-P energy: -8.871 tors. eta vs tors. theta energy: -18.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -202.972183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.972183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.972183 (E_RNA) where: Base-Base interactions energy: -136.893 where: short stacking energy: -59.759 Base-Backbone interact. energy: -0.002 local terms energy: -66.077706 where: bonds (distance) C4'-P energy: -12.245 bonds (distance) P-C4' energy: -14.899 flat angles C4'-P-C4' energy: -13.169 flat angles P-C4'-P energy: -7.635 tors. eta vs tors. theta energy: -18.129 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: 2 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -197.097008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.097008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.097008 (E_RNA) where: Base-Base interactions energy: -130.614 where: short stacking energy: -57.771 Base-Backbone interact. energy: -0.002 local terms energy: -66.481505 where: bonds (distance) C4'-P energy: -12.324 bonds (distance) P-C4' energy: -13.730 flat angles C4'-P-C4' energy: -14.852 flat angles P-C4'-P energy: -7.350 tors. eta vs tors. theta energy: -18.225 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: 4 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -196.919569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.919569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.919569 (E_RNA) where: Base-Base interactions energy: -140.569 where: short stacking energy: -59.108 Base-Backbone interact. energy: -0.001 local terms energy: -56.349343 where: bonds (distance) C4'-P energy: -6.242 bonds (distance) P-C4' energy: -13.382 flat angles C4'-P-C4' energy: -12.637 flat angles P-C4'-P energy: -8.032 tors. eta vs tors. theta energy: -16.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -183.623570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.623570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.623570 (E_RNA) where: Base-Base interactions energy: -126.925 where: short stacking energy: -51.560 Base-Backbone interact. energy: -0.006 local terms energy: -56.692494 where: bonds (distance) C4'-P energy: -13.491 bonds (distance) P-C4' energy: -11.332 flat angles C4'-P-C4' energy: -13.438 flat angles P-C4'-P energy: -6.503 tors. eta vs tors. theta energy: -11.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -165.917192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.917192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.917192 (E_RNA) where: Base-Base interactions energy: -113.378 where: short stacking energy: -50.934 Base-Backbone interact. energy: -0.005 local terms energy: -52.534131 where: bonds (distance) C4'-P energy: -14.480 bonds (distance) P-C4' energy: -6.752 flat angles C4'-P-C4' energy: -10.796 flat angles P-C4'-P energy: -5.408 tors. eta vs tors. theta energy: -15.097 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: 1 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -163.961661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.961661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.961661 (E_RNA) where: Base-Base interactions energy: -113.184 where: short stacking energy: -47.651 Base-Backbone interact. energy: -0.003 local terms energy: -50.774729 where: bonds (distance) C4'-P energy: -13.478 bonds (distance) P-C4' energy: -11.085 flat angles C4'-P-C4' energy: -9.070 flat angles P-C4'-P energy: -3.812 tors. eta vs tors. theta energy: -13.329 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: 6 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -175.649321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.649321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.649321 (E_RNA) where: Base-Base interactions energy: -121.430 where: short stacking energy: -48.403 Base-Backbone interact. energy: -0.111 local terms energy: -54.107568 where: bonds (distance) C4'-P energy: -12.084 bonds (distance) P-C4' energy: -11.054 flat angles C4'-P-C4' energy: -11.976 flat angles P-C4'-P energy: -7.286 tors. eta vs tors. theta energy: -11.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -72.230419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.230419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.230419 (E_RNA) where: Base-Base interactions energy: -30.459 where: short stacking energy: -24.801 Base-Backbone interact. energy: -0.022 local terms energy: -41.749657 where: bonds (distance) C4'-P energy: -13.139 bonds (distance) P-C4' energy: -9.715 flat angles C4'-P-C4' energy: -5.205 flat angles P-C4'-P energy: -7.884 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: 10, replica: 8 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -70.354034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.354034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.354034 (E_RNA) where: Base-Base interactions energy: -30.062 where: short stacking energy: -28.520 Base-Backbone interact. energy: 0.546 local terms energy: -40.837987 where: bonds (distance) C4'-P energy: -3.398 bonds (distance) P-C4' energy: -11.965 flat angles C4'-P-C4' energy: -11.266 flat angles P-C4'-P energy: -7.869 tors. eta vs tors. theta energy: -6.339 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: 10 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -205.900326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.900326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.900326 (E_RNA) where: Base-Base interactions energy: -144.612 where: short stacking energy: -61.858 Base-Backbone interact. energy: -0.003 local terms energy: -61.285781 where: bonds (distance) C4'-P energy: -11.545 bonds (distance) P-C4' energy: -11.165 flat angles C4'-P-C4' energy: -13.462 flat angles P-C4'-P energy: -11.368 tors. eta vs tors. theta energy: -13.745 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: 2 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -201.791373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.791373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.791373 (E_RNA) where: Base-Base interactions energy: -139.763 where: short stacking energy: -62.615 Base-Backbone interact. energy: -0.001 local terms energy: -62.027661 where: bonds (distance) C4'-P energy: -7.724 bonds (distance) P-C4' energy: -13.036 flat angles C4'-P-C4' energy: -12.113 flat angles P-C4'-P energy: -11.522 tors. eta vs tors. theta energy: -17.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -200.371731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.371731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.371731 (E_RNA) where: Base-Base interactions energy: -136.711 where: short stacking energy: -52.465 Base-Backbone interact. energy: -0.043 local terms energy: -63.618283 where: bonds (distance) C4'-P energy: -12.319 bonds (distance) P-C4' energy: -14.438 flat angles C4'-P-C4' energy: -13.298 flat angles P-C4'-P energy: -6.409 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: 4, replica: 5 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -190.210461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.210461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.210461 (E_RNA) where: Base-Base interactions energy: -133.967 where: short stacking energy: -48.973 Base-Backbone interact. energy: -0.586 local terms energy: -55.657642 where: bonds (distance) C4'-P energy: -13.077 bonds (distance) P-C4' energy: -12.532 flat angles C4'-P-C4' energy: -7.512 flat angles P-C4'-P energy: -6.976 tors. eta vs tors. theta energy: -15.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -195.702330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.702330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.702330 (E_RNA) where: Base-Base interactions energy: -134.911 where: short stacking energy: -60.101 Base-Backbone interact. energy: -0.000 local terms energy: -60.791052 where: bonds (distance) C4'-P energy: -12.308 bonds (distance) P-C4' energy: -11.373 flat angles C4'-P-C4' energy: -11.845 flat angles P-C4'-P energy: -8.483 tors. eta vs tors. theta energy: -16.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -166.662634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.662634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.662634 (E_RNA) where: Base-Base interactions energy: -112.352 where: short stacking energy: -40.079 Base-Backbone interact. energy: 0.212 local terms energy: -54.522718 where: bonds (distance) C4'-P energy: -10.743 bonds (distance) P-C4' energy: -14.668 flat angles C4'-P-C4' energy: -7.764 flat angles P-C4'-P energy: -10.902 tors. eta vs tors. theta energy: -10.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -176.281756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.281756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.281756 (E_RNA) where: Base-Base interactions energy: -119.059 where: short stacking energy: -48.944 Base-Backbone interact. energy: -0.261 local terms energy: -56.961724 where: bonds (distance) C4'-P energy: -8.386 bonds (distance) P-C4' energy: -13.367 flat angles C4'-P-C4' energy: -13.199 flat angles P-C4'-P energy: -9.982 tors. eta vs tors. theta energy: -12.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -168.765992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.765992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.765992 (E_RNA) where: Base-Base interactions energy: -110.200 where: short stacking energy: -46.515 Base-Backbone interact. energy: -0.009 local terms energy: -58.556752 where: bonds (distance) C4'-P energy: -12.519 bonds (distance) P-C4' energy: -14.628 flat angles C4'-P-C4' energy: -11.772 flat angles P-C4'-P energy: -9.226 tors. eta vs tors. theta energy: -10.412 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: 9, replica: 3 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -72.772840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.772840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.772840 (E_RNA) where: Base-Base interactions energy: -29.752 where: short stacking energy: -26.192 Base-Backbone interact. energy: 3.448 local terms energy: -46.468743 where: bonds (distance) C4'-P energy: -8.016 bonds (distance) P-C4' energy: -14.237 flat angles C4'-P-C4' energy: -12.347 flat angles P-C4'-P energy: -9.466 tors. eta vs tors. theta energy: -2.402 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: 8 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -58.627984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.627984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.627984 (E_RNA) where: Base-Base interactions energy: -21.429 where: short stacking energy: -16.016 Base-Backbone interact. energy: -0.256 local terms energy: -36.942570 where: bonds (distance) C4'-P energy: -10.923 bonds (distance) P-C4' energy: -7.842 flat angles C4'-P-C4' energy: -11.591 flat angles P-C4'-P energy: -6.213 tors. eta vs tors. theta energy: -0.373 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: 10 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -205.261522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.261522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.261522 (E_RNA) where: Base-Base interactions energy: -144.096 where: short stacking energy: -59.365 Base-Backbone interact. energy: -0.479 local terms energy: -60.686281 where: bonds (distance) C4'-P energy: -11.127 bonds (distance) P-C4' energy: -13.341 flat angles C4'-P-C4' energy: -11.172 flat angles P-C4'-P energy: -8.648 tors. eta vs tors. theta energy: -16.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -188.771029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.771029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.771029 (E_RNA) where: Base-Base interactions energy: -122.290 where: short stacking energy: -49.635 Base-Backbone interact. energy: -0.902 local terms energy: -65.578572 where: bonds (distance) C4'-P energy: -14.803 bonds (distance) P-C4' energy: -13.733 flat angles C4'-P-C4' energy: -14.268 flat angles P-C4'-P energy: -9.106 tors. eta vs tors. theta energy: -13.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -204.325148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.325148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.325148 (E_RNA) where: Base-Base interactions energy: -143.909 where: short stacking energy: -60.261 Base-Backbone interact. energy: -0.001 local terms energy: -60.414530 where: bonds (distance) C4'-P energy: -11.185 bonds (distance) P-C4' energy: -11.162 flat angles C4'-P-C4' energy: -13.210 flat angles P-C4'-P energy: -8.379 tors. eta vs tors. theta energy: -16.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -184.843596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.843596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.843596 (E_RNA) where: Base-Base interactions energy: -134.851 where: short stacking energy: -55.196 Base-Backbone interact. energy: -0.111 local terms energy: -49.881508 where: bonds (distance) C4'-P energy: -10.572 bonds (distance) P-C4' energy: -8.947 flat angles C4'-P-C4' energy: -9.909 flat angles P-C4'-P energy: -6.614 tors. eta vs tors. theta energy: -13.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -178.721674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.721674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.721674 (E_RNA) where: Base-Base interactions energy: -122.998 where: short stacking energy: -47.215 Base-Backbone interact. energy: -0.015 local terms energy: -55.708858 where: bonds (distance) C4'-P energy: -12.688 bonds (distance) P-C4' energy: -12.293 flat angles C4'-P-C4' energy: -13.704 flat angles P-C4'-P energy: -6.676 tors. eta vs tors. theta energy: -10.347 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: 6, replica: 4 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -185.049657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.049657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.049657 (E_RNA) where: Base-Base interactions energy: -128.932 where: short stacking energy: -54.668 Base-Backbone interact. energy: 0.340 local terms energy: -56.457701 where: bonds (distance) C4'-P energy: -11.768 bonds (distance) P-C4' energy: -9.313 flat angles C4'-P-C4' energy: -13.211 flat angles P-C4'-P energy: -7.212 tors. eta vs tors. theta energy: -14.953 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: 326 Temperature: 1.200000 Total energy: -177.247850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.247850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.247850 (E_RNA) where: Base-Base interactions energy: -117.132 where: short stacking energy: -47.962 Base-Backbone interact. energy: -0.018 local terms energy: -60.097529 where: bonds (distance) C4'-P energy: -11.736 bonds (distance) P-C4' energy: -13.480 flat angles C4'-P-C4' energy: -11.584 flat angles P-C4'-P energy: -11.465 tors. eta vs tors. theta energy: -11.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -168.396492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.396492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.396492 (E_RNA) where: Base-Base interactions energy: -109.190 where: short stacking energy: -42.121 Base-Backbone interact. energy: -0.097 local terms energy: -59.109480 where: bonds (distance) C4'-P energy: -9.061 bonds (distance) P-C4' energy: -12.337 flat angles C4'-P-C4' energy: -13.373 flat angles P-C4'-P energy: -9.319 tors. eta vs tors. theta energy: -15.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -76.029730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.029730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.029730 (E_RNA) where: Base-Base interactions energy: -42.579 where: short stacking energy: -20.063 Base-Backbone interact. energy: -0.094 local terms energy: -33.357134 where: bonds (distance) C4'-P energy: -9.894 bonds (distance) P-C4' energy: -11.056 flat angles C4'-P-C4' energy: -7.796 flat angles P-C4'-P energy: -1.435 tors. eta vs tors. theta energy: -3.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -63.614553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.614553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.614553 (E_RNA) where: Base-Base interactions energy: -21.966 where: short stacking energy: -16.124 Base-Backbone interact. energy: -0.136 local terms energy: -41.512551 where: bonds (distance) C4'-P energy: -11.660 bonds (distance) P-C4' energy: -13.849 flat angles C4'-P-C4' energy: -4.578 flat angles P-C4'-P energy: -9.339 tors. eta vs tors. theta energy: -2.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -199.057372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.057372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.057372 (E_RNA) where: Base-Base interactions energy: -139.197 where: short stacking energy: -58.820 Base-Backbone interact. energy: -0.003 local terms energy: -59.856553 where: bonds (distance) C4'-P energy: -11.089 bonds (distance) P-C4' energy: -11.070 flat angles C4'-P-C4' energy: -12.622 flat angles P-C4'-P energy: -8.875 tors. eta vs tors. theta energy: -16.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -203.131490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.131490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.131490 (E_RNA) where: Base-Base interactions energy: -139.505 where: short stacking energy: -59.712 Base-Backbone interact. energy: -0.003 local terms energy: -63.622714 where: bonds (distance) C4'-P energy: -12.139 bonds (distance) P-C4' energy: -14.110 flat angles C4'-P-C4' energy: -10.104 flat angles P-C4'-P energy: -7.913 tors. eta vs tors. theta energy: -19.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -196.909797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.909797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.909797 (E_RNA) where: Base-Base interactions energy: -134.948 where: short stacking energy: -56.936 Base-Backbone interact. energy: 1.967 local terms energy: -63.928786 where: bonds (distance) C4'-P energy: -9.591 bonds (distance) P-C4' energy: -13.193 flat angles C4'-P-C4' energy: -14.239 flat angles P-C4'-P energy: -8.697 tors. eta vs tors. theta energy: -18.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -191.122778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.122778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.122778 (E_RNA) where: Base-Base interactions energy: -130.256 where: short stacking energy: -57.810 Base-Backbone interact. energy: -0.001 local terms energy: -60.865980 where: bonds (distance) C4'-P energy: -9.508 bonds (distance) P-C4' energy: -13.078 flat angles C4'-P-C4' energy: -13.171 flat angles P-C4'-P energy: -8.898 tors. eta vs tors. theta energy: -16.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -182.159301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.159301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.159301 (E_RNA) where: Base-Base interactions energy: -131.154 where: short stacking energy: -51.789 Base-Backbone interact. energy: -0.102 local terms energy: -50.903249 where: bonds (distance) C4'-P energy: -10.714 bonds (distance) P-C4' energy: -11.430 flat angles C4'-P-C4' energy: -10.729 flat angles P-C4'-P energy: -4.922 tors. eta vs tors. theta energy: -13.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -175.593361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.593361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.593361 (E_RNA) where: Base-Base interactions energy: -122.721 where: short stacking energy: -52.251 Base-Backbone interact. energy: -0.028 local terms energy: -52.844055 where: bonds (distance) C4'-P energy: -8.915 bonds (distance) P-C4' energy: -12.140 flat angles C4'-P-C4' energy: -10.736 flat angles P-C4'-P energy: -7.305 tors. eta vs tors. theta energy: -13.748 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: 4 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -184.336824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.336824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.336824 (E_RNA) where: Base-Base interactions energy: -127.041 where: short stacking energy: -54.579 Base-Backbone interact. energy: -0.000 local terms energy: -57.295216 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -13.088 flat angles C4'-P-C4' energy: -12.441 flat angles P-C4'-P energy: -8.701 tors. eta vs tors. theta energy: -14.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -182.779878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.779878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.779878 (E_RNA) where: Base-Base interactions energy: -125.555 where: short stacking energy: -51.823 Base-Backbone interact. energy: 0.416 local terms energy: -57.641445 where: bonds (distance) C4'-P energy: -7.347 bonds (distance) P-C4' energy: -11.001 flat angles C4'-P-C4' energy: -13.590 flat angles P-C4'-P energy: -10.024 tors. eta vs tors. theta energy: -15.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -70.615845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.615845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.615845 (E_RNA) where: Base-Base interactions energy: -38.883 where: short stacking energy: -23.758 Base-Backbone interact. energy: -0.291 local terms energy: -31.441697 where: bonds (distance) C4'-P energy: -9.172 bonds (distance) P-C4' energy: -6.260 flat angles C4'-P-C4' energy: -7.385 flat angles P-C4'-P energy: -6.307 tors. eta vs tors. theta energy: -2.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -59.758347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.758347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.758347 (E_RNA) where: Base-Base interactions energy: -25.425 where: short stacking energy: -12.575 Base-Backbone interact. energy: -0.083 local terms energy: -34.250636 where: bonds (distance) C4'-P energy: -12.911 bonds (distance) P-C4' energy: -9.901 flat angles C4'-P-C4' energy: -10.294 flat angles P-C4'-P energy: -4.199 tors. eta vs tors. theta energy: 3.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -204.690939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.690939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.690939 (E_RNA) where: Base-Base interactions energy: -141.508 where: short stacking energy: -60.419 Base-Backbone interact. energy: -0.001 local terms energy: -63.182894 where: bonds (distance) C4'-P energy: -13.548 bonds (distance) P-C4' energy: -11.495 flat angles C4'-P-C4' energy: -14.473 flat angles P-C4'-P energy: -7.380 tors. eta vs tors. theta energy: -16.287 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: 10 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -190.148792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.148792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.148792 (E_RNA) where: Base-Base interactions energy: -122.777 where: short stacking energy: -52.440 Base-Backbone interact. energy: -0.035 local terms energy: -67.337541 where: bonds (distance) C4'-P energy: -13.462 bonds (distance) P-C4' energy: -14.867 flat angles C4'-P-C4' energy: -12.750 flat angles P-C4'-P energy: -9.285 tors. eta vs tors. theta energy: -16.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -200.564821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.564821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.564821 (E_RNA) where: Base-Base interactions energy: -134.643 where: short stacking energy: -54.045 Base-Backbone interact. energy: -0.015 local terms energy: -65.907009 where: bonds (distance) C4'-P energy: -11.959 bonds (distance) P-C4' energy: -15.051 flat angles C4'-P-C4' energy: -13.700 flat angles P-C4'-P energy: -10.492 tors. eta vs tors. theta energy: -14.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -193.868170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.868170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.868170 (E_RNA) where: Base-Base interactions energy: -132.226 where: short stacking energy: -55.916 Base-Backbone interact. energy: -0.034 local terms energy: -61.607648 where: bonds (distance) C4'-P energy: -11.446 bonds (distance) P-C4' energy: -13.620 flat angles C4'-P-C4' energy: -13.375 flat angles P-C4'-P energy: -7.792 tors. eta vs tors. theta energy: -15.376 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: 6 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -191.656493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.656493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.656493 (E_RNA) where: Base-Base interactions energy: -130.865 where: short stacking energy: -57.107 Base-Backbone interact. energy: -0.071 local terms energy: -60.720428 where: bonds (distance) C4'-P energy: -9.625 bonds (distance) P-C4' energy: -15.137 flat angles C4'-P-C4' energy: -8.772 flat angles P-C4'-P energy: -10.594 tors. eta vs tors. theta energy: -16.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -181.485729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.485729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.485729 (E_RNA) where: Base-Base interactions energy: -133.144 where: short stacking energy: -55.122 Base-Backbone interact. energy: -0.307 local terms energy: -48.034286 where: bonds (distance) C4'-P energy: -6.461 bonds (distance) P-C4' energy: -10.371 flat angles C4'-P-C4' energy: -11.003 flat angles P-C4'-P energy: -5.329 tors. eta vs tors. theta energy: -14.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -177.243371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.243371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.243371 (E_RNA) where: Base-Base interactions energy: -122.024 where: short stacking energy: -49.676 Base-Backbone interact. energy: -0.027 local terms energy: -55.191759 where: bonds (distance) C4'-P energy: -9.127 bonds (distance) P-C4' energy: -14.131 flat angles C4'-P-C4' energy: -13.379 flat angles P-C4'-P energy: -6.708 tors. eta vs tors. theta energy: -11.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -169.826206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.826206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.826206 (E_RNA) where: Base-Base interactions energy: -113.069 where: short stacking energy: -48.119 Base-Backbone interact. energy: -0.651 local terms energy: -56.105733 where: bonds (distance) C4'-P energy: -10.845 bonds (distance) P-C4' energy: -14.643 flat angles C4'-P-C4' energy: -10.382 flat angles P-C4'-P energy: -7.836 tors. eta vs tors. theta energy: -12.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -63.891649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.891649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.891649 (E_RNA) where: Base-Base interactions energy: -22.967 where: short stacking energy: -22.967 Base-Backbone interact. energy: -0.010 local terms energy: -40.914271 where: bonds (distance) C4'-P energy: -10.642 bonds (distance) P-C4' energy: -10.455 flat angles C4'-P-C4' energy: -10.612 flat angles P-C4'-P energy: -6.314 tors. eta vs tors. theta energy: -2.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -63.817727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.817727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.817727 (E_RNA) where: Base-Base interactions energy: -21.324 where: short stacking energy: -18.837 Base-Backbone interact. energy: -0.130 local terms energy: -42.363378 where: bonds (distance) C4'-P energy: -11.341 bonds (distance) P-C4' energy: -13.279 flat angles C4'-P-C4' energy: -10.730 flat angles P-C4'-P energy: -4.343 tors. eta vs tors. theta energy: -2.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -205.216929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.216929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.216929 (E_RNA) where: Base-Base interactions energy: -137.137 where: short stacking energy: -59.152 Base-Backbone interact. energy: -0.004 local terms energy: -68.076264 where: bonds (distance) C4'-P energy: -13.860 bonds (distance) P-C4' energy: -14.354 flat angles C4'-P-C4' energy: -13.426 flat angles P-C4'-P energy: -9.353 tors. eta vs tors. theta energy: -17.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -190.207521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.207521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.207521 (E_RNA) where: Base-Base interactions energy: -134.355 where: short stacking energy: -54.932 Base-Backbone interact. energy: -0.006 local terms energy: -55.847387 where: bonds (distance) C4'-P energy: -9.393 bonds (distance) P-C4' energy: -12.877 flat angles C4'-P-C4' energy: -12.018 flat angles P-C4'-P energy: -9.311 tors. eta vs tors. theta energy: -12.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -194.146806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.146806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.146806 (E_RNA) where: Base-Base interactions energy: -131.384 where: short stacking energy: -50.241 Base-Backbone interact. energy: -0.104 local terms energy: -62.657971 where: bonds (distance) C4'-P energy: -15.151 bonds (distance) P-C4' energy: -11.493 flat angles C4'-P-C4' energy: -10.426 flat angles P-C4'-P energy: -10.553 tors. eta vs tors. theta energy: -15.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -191.094763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.094763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.094763 (E_RNA) where: Base-Base interactions energy: -131.951 where: short stacking energy: -56.427 Base-Backbone interact. energy: 0.602 local terms energy: -59.745637 where: bonds (distance) C4'-P energy: -10.849 bonds (distance) P-C4' energy: -10.288 flat angles C4'-P-C4' energy: -15.031 flat angles P-C4'-P energy: -7.637 tors. eta vs tors. theta energy: -15.940 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: 6 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -188.201171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.201171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.201171 (E_RNA) where: Base-Base interactions energy: -130.305 where: short stacking energy: -56.057 Base-Backbone interact. energy: -0.002 local terms energy: -57.894766 where: bonds (distance) C4'-P energy: -12.912 bonds (distance) P-C4' energy: -10.254 flat angles C4'-P-C4' energy: -13.621 flat angles P-C4'-P energy: -5.874 tors. eta vs tors. theta energy: -15.234 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: 329 Temperature: 1.150000 Total energy: -173.959673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.959673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.959673 (E_RNA) where: Base-Base interactions energy: -127.481 where: short stacking energy: -51.964 Base-Backbone interact. energy: 1.282 local terms energy: -47.761281 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -9.375 flat angles C4'-P-C4' energy: -12.650 flat angles P-C4'-P energy: -5.964 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: 7, replica: 5 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -180.456483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.456483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.456483 (E_RNA) where: Base-Base interactions energy: -123.519 where: short stacking energy: -55.534 Base-Backbone interact. energy: -0.094 local terms energy: -56.843228 where: bonds (distance) C4'-P energy: -10.581 bonds (distance) P-C4' energy: -12.789 flat angles C4'-P-C4' energy: -7.355 flat angles P-C4'-P energy: -9.525 tors. eta vs tors. theta energy: -16.593 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: 4 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -169.287862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.287862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.287862 (E_RNA) where: Base-Base interactions energy: -121.236 where: short stacking energy: -47.171 Base-Backbone interact. energy: -0.001 local terms energy: -48.050999 where: bonds (distance) C4'-P energy: -9.736 bonds (distance) P-C4' energy: -5.751 flat angles C4'-P-C4' energy: -11.649 flat angles P-C4'-P energy: -10.673 tors. eta vs tors. theta energy: -10.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -65.915526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.915526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.915526 (E_RNA) where: Base-Base interactions energy: -21.458 where: short stacking energy: -21.458 Base-Backbone interact. energy: -0.196 local terms energy: -44.261906 where: bonds (distance) C4'-P energy: -6.553 bonds (distance) P-C4' energy: -12.299 flat angles C4'-P-C4' energy: -12.641 flat angles P-C4'-P energy: -7.312 tors. eta vs tors. theta energy: -5.457 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: 8 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -61.838035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.838035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.838035 (E_RNA) where: Base-Base interactions energy: -23.707 where: short stacking energy: -13.571 Base-Backbone interact. energy: -0.496 local terms energy: -37.635139 where: bonds (distance) C4'-P energy: -12.058 bonds (distance) P-C4' energy: -15.326 flat angles C4'-P-C4' energy: -11.528 flat angles P-C4'-P energy: -4.630 tors. eta vs tors. theta energy: 5.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -198.238225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.238225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.238225 (E_RNA) where: Base-Base interactions energy: -135.623 where: short stacking energy: -60.099 Base-Backbone interact. energy: -0.005 local terms energy: -62.610180 where: bonds (distance) C4'-P energy: -14.216 bonds (distance) P-C4' energy: -12.064 flat angles C4'-P-C4' energy: -15.028 flat angles P-C4'-P energy: -7.946 tors. eta vs tors. theta energy: -13.358 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: 9 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -205.238323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.238323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.238323 (E_RNA) where: Base-Base interactions energy: -139.482 where: short stacking energy: -57.640 Base-Backbone interact. energy: -0.002 local terms energy: -65.754066 where: bonds (distance) C4'-P energy: -11.943 bonds (distance) P-C4' energy: -13.959 flat angles C4'-P-C4' energy: -14.253 flat angles P-C4'-P energy: -7.455 tors. eta vs tors. theta energy: -18.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -190.206161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.206161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.206161 (E_RNA) where: Base-Base interactions energy: -128.387 where: short stacking energy: -57.175 Base-Backbone interact. energy: -0.000 local terms energy: -61.818832 where: bonds (distance) C4'-P energy: -12.150 bonds (distance) P-C4' energy: -11.675 flat angles C4'-P-C4' energy: -11.728 flat angles P-C4'-P energy: -9.611 tors. eta vs tors. theta energy: -16.655 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: 10 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -186.383573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.383573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.383573 (E_RNA) where: Base-Base interactions energy: -118.937 where: short stacking energy: -53.258 Base-Backbone interact. energy: -0.016 local terms energy: -67.429998 where: bonds (distance) C4'-P energy: -14.687 bonds (distance) P-C4' energy: -14.876 flat angles C4'-P-C4' energy: -13.652 flat angles P-C4'-P energy: -10.955 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: 5, replica: 7 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -182.360360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.360360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.360360 (E_RNA) where: Base-Base interactions energy: -126.483 where: short stacking energy: -45.221 Base-Backbone interact. energy: -0.054 local terms energy: -55.823734 where: bonds (distance) C4'-P energy: -13.469 bonds (distance) P-C4' energy: -10.471 flat angles C4'-P-C4' energy: -12.647 flat angles P-C4'-P energy: -8.608 tors. eta vs tors. theta energy: -10.629 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: 6, replica: 6 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -177.097858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.097858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.097858 (E_RNA) where: Base-Base interactions energy: -120.392 where: short stacking energy: -56.438 Base-Backbone interact. energy: -0.280 local terms energy: -56.426051 where: bonds (distance) C4'-P energy: -9.543 bonds (distance) P-C4' energy: -10.849 flat angles C4'-P-C4' energy: -12.266 flat angles P-C4'-P energy: -7.239 tors. eta vs tors. theta energy: -16.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -177.436999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.436999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.436999 (E_RNA) where: Base-Base interactions energy: -122.716 where: short stacking energy: -48.833 Base-Backbone interact. energy: -0.002 local terms energy: -54.719716 where: bonds (distance) C4'-P energy: -12.812 bonds (distance) P-C4' energy: -11.784 flat angles C4'-P-C4' energy: -12.699 flat angles P-C4'-P energy: -3.515 tors. eta vs tors. theta energy: -13.909 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: 5 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -168.101688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.101688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.101688 (E_RNA) where: Base-Base interactions energy: -114.418 where: short stacking energy: -50.091 Base-Backbone interact. energy: -0.163 local terms energy: -53.520189 where: bonds (distance) C4'-P energy: -6.838 bonds (distance) P-C4' energy: -10.227 flat angles C4'-P-C4' energy: -13.332 flat angles P-C4'-P energy: -9.551 tors. eta vs tors. theta energy: -13.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -94.400781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.400781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.400781 (E_RNA) where: Base-Base interactions energy: -49.249 where: short stacking energy: -24.993 Base-Backbone interact. energy: -0.839 local terms energy: -44.312542 where: bonds (distance) C4'-P energy: -11.214 bonds (distance) P-C4' energy: -10.250 flat angles C4'-P-C4' energy: -10.778 flat angles P-C4'-P energy: -6.095 tors. eta vs tors. theta energy: -5.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -73.460319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.460319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.460319 (E_RNA) where: Base-Base interactions energy: -31.472 where: short stacking energy: -31.472 Base-Backbone interact. energy: 0.368 local terms energy: -42.356780 where: bonds (distance) C4'-P energy: -7.428 bonds (distance) P-C4' energy: -12.159 flat angles C4'-P-C4' energy: -9.247 flat angles P-C4'-P energy: -8.083 tors. eta vs tors. theta energy: -5.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -204.067091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.067091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.067091 (E_RNA) where: Base-Base interactions energy: -142.368 where: short stacking energy: -54.670 Base-Backbone interact. energy: -0.003 local terms energy: -61.696235 where: bonds (distance) C4'-P energy: -13.950 bonds (distance) P-C4' energy: -13.176 flat angles C4'-P-C4' energy: -14.533 flat angles P-C4'-P energy: -6.861 tors. eta vs tors. theta energy: -13.177 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: 2, replica: 1 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -205.743077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.743077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.743077 (E_RNA) where: Base-Base interactions energy: -137.339 where: short stacking energy: -59.121 Base-Backbone interact. energy: -0.096 local terms energy: -68.308656 where: bonds (distance) C4'-P energy: -13.930 bonds (distance) P-C4' energy: -14.011 flat angles C4'-P-C4' energy: -13.999 flat angles P-C4'-P energy: -8.238 tors. eta vs tors. theta energy: -18.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -199.130614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.130614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.130614 (E_RNA) where: Base-Base interactions energy: -133.379 where: short stacking energy: -58.035 Base-Backbone interact. energy: -0.002 local terms energy: -65.749102 where: bonds (distance) C4'-P energy: -11.690 bonds (distance) P-C4' energy: -13.871 flat angles C4'-P-C4' energy: -14.407 flat angles P-C4'-P energy: -7.295 tors. eta vs tors. theta energy: -18.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -186.128025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.128025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.128025 (E_RNA) where: Base-Base interactions energy: -133.136 where: short stacking energy: -51.575 Base-Backbone interact. energy: -0.057 local terms energy: -52.934741 where: bonds (distance) C4'-P energy: -7.737 bonds (distance) P-C4' energy: -12.362 flat angles C4'-P-C4' energy: -14.176 flat angles P-C4'-P energy: -6.095 tors. eta vs tors. theta energy: -12.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -174.274305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.274305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.274305 (E_RNA) where: Base-Base interactions energy: -113.505 where: short stacking energy: -48.477 Base-Backbone interact. energy: -0.017 local terms energy: -60.752281 where: bonds (distance) C4'-P energy: -13.516 bonds (distance) P-C4' energy: -12.849 flat angles C4'-P-C4' energy: -13.991 flat angles P-C4'-P energy: -7.420 tors. eta vs tors. theta energy: -12.977 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: 6 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -185.056422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.056422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.056422 (E_RNA) where: Base-Base interactions energy: -131.500 where: short stacking energy: -56.427 Base-Backbone interact. energy: -0.025 local terms energy: -53.532055 where: bonds (distance) C4'-P energy: -9.438 bonds (distance) P-C4' energy: -8.553 flat angles C4'-P-C4' energy: -13.078 flat angles P-C4'-P energy: -5.665 tors. eta vs tors. theta energy: -16.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -174.656570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.656570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.656570 (E_RNA) where: Base-Base interactions energy: -115.267 where: short stacking energy: -46.142 Base-Backbone interact. energy: -0.068 local terms energy: -59.320888 where: bonds (distance) C4'-P energy: -9.802 bonds (distance) P-C4' energy: -14.674 flat angles C4'-P-C4' energy: -12.325 flat angles P-C4'-P energy: -8.100 tors. eta vs tors. theta energy: -14.419 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: 331 Temperature: 1.250000 Total energy: -163.545448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.545448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.545448 (E_RNA) where: Base-Base interactions energy: -119.793 where: short stacking energy: -43.050 Base-Backbone interact. energy: -0.119 local terms energy: -43.632694 where: bonds (distance) C4'-P energy: -8.896 bonds (distance) P-C4' energy: -7.755 flat angles C4'-P-C4' energy: -9.697 flat angles P-C4'-P energy: -7.875 tors. eta vs tors. theta energy: -9.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -72.771034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.771034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.771034 (E_RNA) where: Base-Base interactions energy: -32.613 where: short stacking energy: -17.692 Base-Backbone interact. energy: -0.067 local terms energy: -40.090846 where: bonds (distance) C4'-P energy: -7.715 bonds (distance) P-C4' energy: -11.077 flat angles C4'-P-C4' energy: -10.677 flat angles P-C4'-P energy: -6.425 tors. eta vs tors. theta energy: -4.196 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: 3 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -76.051859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.051859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.051859 (E_RNA) where: Base-Base interactions energy: -34.389 where: short stacking energy: -20.355 Base-Backbone interact. energy: -0.091 local terms energy: -41.571961 where: bonds (distance) C4'-P energy: -10.448 bonds (distance) P-C4' energy: -13.103 flat angles C4'-P-C4' energy: -9.766 flat angles P-C4'-P energy: -6.985 tors. eta vs tors. theta energy: -1.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -201.182848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.182848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.182848 (E_RNA) where: Base-Base interactions energy: -135.038 where: short stacking energy: -53.690 Base-Backbone interact. energy: -0.033 local terms energy: -66.112106 where: bonds (distance) C4'-P energy: -13.069 bonds (distance) P-C4' energy: -13.895 flat angles C4'-P-C4' energy: -15.101 flat angles P-C4'-P energy: -10.053 tors. eta vs tors. theta energy: -13.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -202.333980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.333980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.333980 (E_RNA) where: Base-Base interactions energy: -140.937 where: short stacking energy: -60.589 Base-Backbone interact. energy: -0.002 local terms energy: -61.395128 where: bonds (distance) C4'-P energy: -12.133 bonds (distance) P-C4' energy: -10.681 flat angles C4'-P-C4' energy: -12.322 flat angles P-C4'-P energy: -10.278 tors. eta vs tors. theta energy: -15.980 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: 9 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -193.308878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.308878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.308878 (E_RNA) where: Base-Base interactions energy: -132.473 where: short stacking energy: -51.137 Base-Backbone interact. energy: -0.016 local terms energy: -60.820086 where: bonds (distance) C4'-P energy: -14.588 bonds (distance) P-C4' energy: -12.004 flat angles C4'-P-C4' energy: -13.217 flat angles P-C4'-P energy: -7.871 tors. eta vs tors. theta energy: -13.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -196.435578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.435578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.435578 (E_RNA) where: Base-Base interactions energy: -129.842 where: short stacking energy: -59.466 Base-Backbone interact. energy: -0.005 local terms energy: -66.588591 where: bonds (distance) C4'-P energy: -13.446 bonds (distance) P-C4' energy: -12.807 flat angles C4'-P-C4' energy: -12.394 flat angles P-C4'-P energy: -9.647 tors. eta vs tors. theta energy: -18.296 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: 6 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -193.609674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.609674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.609674 (E_RNA) where: Base-Base interactions energy: -134.307 where: short stacking energy: -54.980 Base-Backbone interact. energy: -0.095 local terms energy: -59.208199 where: bonds (distance) C4'-P energy: -9.323 bonds (distance) P-C4' energy: -15.122 flat angles C4'-P-C4' energy: -11.931 flat angles P-C4'-P energy: -7.029 tors. eta vs tors. theta energy: -15.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -188.655083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.655083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.655083 (E_RNA) where: Base-Base interactions energy: -131.609 where: short stacking energy: -61.764 Base-Backbone interact. energy: -0.002 local terms energy: -57.043769 where: bonds (distance) C4'-P energy: -13.206 bonds (distance) P-C4' energy: -10.780 flat angles C4'-P-C4' energy: -11.550 flat angles P-C4'-P energy: -6.490 tors. eta vs tors. theta energy: -15.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -171.593491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.593491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.593491 (E_RNA) where: Base-Base interactions energy: -117.433 where: short stacking energy: -49.643 Base-Backbone interact. energy: -0.214 local terms energy: -53.946392 where: bonds (distance) C4'-P energy: -10.026 bonds (distance) P-C4' energy: -11.469 flat angles C4'-P-C4' energy: -11.494 flat angles P-C4'-P energy: -7.680 tors. eta vs tors. theta energy: -13.278 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: 4 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -173.640779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.640779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.640779 (E_RNA) where: Base-Base interactions energy: -119.794 where: short stacking energy: -50.999 Base-Backbone interact. energy: -0.009 local terms energy: -53.837872 where: bonds (distance) C4'-P energy: -12.572 bonds (distance) P-C4' energy: -7.765 flat angles C4'-P-C4' energy: -11.651 flat angles P-C4'-P energy: -6.360 tors. eta vs tors. theta energy: -15.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -69.198147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.198147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.198147 (E_RNA) where: Base-Base interactions energy: -28.254 where: short stacking energy: -28.254 Base-Backbone interact. energy: -0.196 local terms energy: -40.748483 where: bonds (distance) C4'-P energy: -9.495 bonds (distance) P-C4' energy: -12.140 flat angles C4'-P-C4' energy: -10.840 flat angles P-C4'-P energy: -4.788 tors. eta vs tors. theta energy: -3.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -75.623586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.623586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.623586 (E_RNA) where: Base-Base interactions energy: -32.387 where: short stacking energy: -26.337 Base-Backbone interact. energy: 0.093 local terms energy: -43.329690 where: bonds (distance) C4'-P energy: -9.081 bonds (distance) P-C4' energy: -14.361 flat angles C4'-P-C4' energy: -11.232 flat angles P-C4'-P energy: -3.215 tors. eta vs tors. theta energy: -5.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -202.703227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.703227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.703227 (E_RNA) where: Base-Base interactions energy: -142.055 where: short stacking energy: -52.799 Base-Backbone interact. energy: -0.012 local terms energy: -60.636162 where: bonds (distance) C4'-P energy: -14.207 bonds (distance) P-C4' energy: -13.905 flat angles C4'-P-C4' energy: -14.722 flat angles P-C4'-P energy: -6.312 tors. eta vs tors. theta energy: -11.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -199.898407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.898407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.898407 (E_RNA) where: Base-Base interactions energy: -136.410 where: short stacking energy: -59.691 Base-Backbone interact. energy: -0.122 local terms energy: -63.366766 where: bonds (distance) C4'-P energy: -11.869 bonds (distance) P-C4' energy: -14.551 flat angles C4'-P-C4' energy: -14.387 flat angles P-C4'-P energy: -7.187 tors. eta vs tors. theta energy: -15.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -190.937183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.937183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.937183 (E_RNA) where: Base-Base interactions energy: -133.909 where: short stacking energy: -49.453 Base-Backbone interact. energy: -0.706 local terms energy: -56.322290 where: bonds (distance) C4'-P energy: -10.258 bonds (distance) P-C4' energy: -13.243 flat angles C4'-P-C4' energy: -12.757 flat angles P-C4'-P energy: -9.330 tors. eta vs tors. theta energy: -10.734 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: 4, replica: 10 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -192.300249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.300249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.300249 (E_RNA) where: Base-Base interactions energy: -128.948 where: short stacking energy: -58.950 Base-Backbone interact. energy: -0.156 local terms energy: -63.196266 where: bonds (distance) C4'-P energy: -12.663 bonds (distance) P-C4' energy: -12.628 flat angles C4'-P-C4' energy: -12.940 flat angles P-C4'-P energy: -5.880 tors. eta vs tors. theta energy: -19.085 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: 6 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -186.208308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.208308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.208308 (E_RNA) where: Base-Base interactions energy: -130.774 where: short stacking energy: -56.628 Base-Backbone interact. energy: -0.007 local terms energy: -55.427983 where: bonds (distance) C4'-P energy: -13.557 bonds (distance) P-C4' energy: -10.349 flat angles C4'-P-C4' energy: -12.748 flat angles P-C4'-P energy: -4.128 tors. eta vs tors. theta energy: -14.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -179.436989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.436989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.436989 (E_RNA) where: Base-Base interactions energy: -118.824 where: short stacking energy: -48.021 Base-Backbone interact. energy: -0.036 local terms energy: -60.577177 where: bonds (distance) C4'-P energy: -9.979 bonds (distance) P-C4' energy: -12.902 flat angles C4'-P-C4' energy: -14.494 flat angles P-C4'-P energy: -9.079 tors. eta vs tors. theta energy: -14.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -185.319258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.319258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.319258 (E_RNA) where: Base-Base interactions energy: -124.964 where: short stacking energy: -49.987 Base-Backbone interact. energy: -0.003 local terms energy: -60.352271 where: bonds (distance) C4'-P energy: -12.042 bonds (distance) P-C4' energy: -12.370 flat angles C4'-P-C4' energy: -12.717 flat angles P-C4'-P energy: -8.287 tors. eta vs tors. theta energy: -14.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -170.726591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.726591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.726591 (E_RNA) where: Base-Base interactions energy: -114.132 where: short stacking energy: -46.560 Base-Backbone interact. energy: -0.078 local terms energy: -56.516552 where: bonds (distance) C4'-P energy: -11.752 bonds (distance) P-C4' energy: -12.116 flat angles C4'-P-C4' energy: -13.186 flat angles P-C4'-P energy: -5.690 tors. eta vs tors. theta energy: -13.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -69.176785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.176785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.176785 (E_RNA) where: Base-Base interactions energy: -35.113 where: short stacking energy: -20.677 Base-Backbone interact. energy: 1.345 local terms energy: -35.408975 where: bonds (distance) C4'-P energy: -9.864 bonds (distance) P-C4' energy: -10.835 flat angles C4'-P-C4' energy: -10.877 flat angles P-C4'-P energy: -6.275 tors. eta vs tors. theta energy: 2.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -79.734037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.734037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.734037 (E_RNA) where: Base-Base interactions energy: -35.068 where: short stacking energy: -27.137 Base-Backbone interact. energy: -0.034 local terms energy: -44.631935 where: bonds (distance) C4'-P energy: -8.453 bonds (distance) P-C4' energy: -11.603 flat angles C4'-P-C4' energy: -11.608 flat angles P-C4'-P energy: -3.987 tors. eta vs tors. theta energy: -8.981 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: 334 Temperature: 0.900000 Total energy: -197.948638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.948638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.948638 (E_RNA) where: Base-Base interactions energy: -133.901 where: short stacking energy: -56.193 Base-Backbone interact. energy: -0.002 local terms energy: -64.045842 where: bonds (distance) C4'-P energy: -14.373 bonds (distance) P-C4' energy: -12.694 flat angles C4'-P-C4' energy: -13.027 flat angles P-C4'-P energy: -8.702 tors. eta vs tors. theta energy: -15.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -204.466646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.466646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.466646 (E_RNA) where: Base-Base interactions energy: -141.726 where: short stacking energy: -60.304 Base-Backbone interact. energy: -0.042 local terms energy: -62.699308 where: bonds (distance) C4'-P energy: -12.481 bonds (distance) P-C4' energy: -11.669 flat angles C4'-P-C4' energy: -12.386 flat angles P-C4'-P energy: -9.255 tors. eta vs tors. theta energy: -16.909 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: 9 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -187.926711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.926711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.926711 (E_RNA) where: Base-Base interactions energy: -136.234 where: short stacking energy: -45.810 Base-Backbone interact. energy: -0.232 local terms energy: -51.460675 where: bonds (distance) C4'-P energy: -13.118 bonds (distance) P-C4' energy: -11.671 flat angles C4'-P-C4' energy: -12.567 flat angles P-C4'-P energy: -7.667 tors. eta vs tors. theta energy: -6.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -188.270340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.270340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.270340 (E_RNA) where: Base-Base interactions energy: -126.387 where: short stacking energy: -51.056 Base-Backbone interact. energy: -0.000 local terms energy: -61.882954 where: bonds (distance) C4'-P energy: -10.763 bonds (distance) P-C4' energy: -15.140 flat angles C4'-P-C4' energy: -10.406 flat angles P-C4'-P energy: -9.174 tors. eta vs tors. theta energy: -16.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -179.172068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.172068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.172068 (E_RNA) where: Base-Base interactions energy: -122.871 where: short stacking energy: -48.401 Base-Backbone interact. energy: -0.158 local terms energy: -56.143359 where: bonds (distance) C4'-P energy: -13.338 bonds (distance) P-C4' energy: -11.134 flat angles C4'-P-C4' energy: -12.399 flat angles P-C4'-P energy: -6.791 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: 6, replica: 6 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -176.140013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.140013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.140013 (E_RNA) where: Base-Base interactions energy: -117.993 where: short stacking energy: -53.402 Base-Backbone interact. energy: -0.012 local terms energy: -58.135498 where: bonds (distance) C4'-P energy: -13.868 bonds (distance) P-C4' energy: -8.548 flat angles C4'-P-C4' energy: -14.040 flat angles P-C4'-P energy: -6.442 tors. eta vs tors. theta energy: -15.238 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: 7, replica: 4 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -177.468870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.468870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.468870 (E_RNA) where: Base-Base interactions energy: -119.591 where: short stacking energy: -55.953 Base-Backbone interact. energy: -0.139 local terms energy: -57.738611 where: bonds (distance) C4'-P energy: -9.219 bonds (distance) P-C4' energy: -9.954 flat angles C4'-P-C4' energy: -11.700 flat angles P-C4'-P energy: -10.383 tors. eta vs tors. theta energy: -16.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -164.252872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.252872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.252872 (E_RNA) where: Base-Base interactions energy: -117.130 where: short stacking energy: -47.214 Base-Backbone interact. energy: -0.108 local terms energy: -47.014500 where: bonds (distance) C4'-P energy: -12.717 bonds (distance) P-C4' energy: -4.418 flat angles C4'-P-C4' energy: -12.178 flat angles P-C4'-P energy: -8.651 tors. eta vs tors. theta energy: -9.051 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: 3 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -66.244726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.244726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.244726 (E_RNA) where: Base-Base interactions energy: -31.565 where: short stacking energy: -26.426 Base-Backbone interact. energy: -0.135 local terms energy: -34.544356 where: bonds (distance) C4'-P energy: -11.011 bonds (distance) P-C4' energy: -7.822 flat angles C4'-P-C4' energy: -4.082 flat angles P-C4'-P energy: -8.502 tors. eta vs tors. theta energy: -3.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -60.026153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.026153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.026153 (E_RNA) where: Base-Base interactions energy: -19.707 where: short stacking energy: -19.024 Base-Backbone interact. energy: -0.008 local terms energy: -40.311319 where: bonds (distance) C4'-P energy: -10.092 bonds (distance) P-C4' energy: -11.788 flat angles C4'-P-C4' energy: -10.849 flat angles P-C4'-P energy: -4.535 tors. eta vs tors. theta energy: -3.047 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: 1, replica: 1 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -201.642603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.642603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.642603 (E_RNA) where: Base-Base interactions energy: -137.053 where: short stacking energy: -59.550 Base-Backbone interact. energy: -0.016 local terms energy: -64.572801 where: bonds (distance) C4'-P energy: -13.222 bonds (distance) P-C4' energy: -13.102 flat angles C4'-P-C4' energy: -15.434 flat angles P-C4'-P energy: -8.420 tors. eta vs tors. theta energy: -14.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -189.892012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.892012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.892012 (E_RNA) where: Base-Base interactions energy: -134.189 where: short stacking energy: -55.931 Base-Backbone interact. energy: -0.076 local terms energy: -55.627256 where: bonds (distance) C4'-P energy: -8.159 bonds (distance) P-C4' energy: -13.215 flat angles C4'-P-C4' energy: -13.064 flat angles P-C4'-P energy: -7.405 tors. eta vs tors. theta energy: -13.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -204.200734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.200734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.200734 (E_RNA) where: Base-Base interactions energy: -141.606 where: short stacking energy: -62.949 Base-Backbone interact. energy: 0.678 local terms energy: -63.272655 where: bonds (distance) C4'-P energy: -9.251 bonds (distance) P-C4' energy: -13.737 flat angles C4'-P-C4' energy: -13.334 flat angles P-C4'-P energy: -10.920 tors. eta vs tors. theta energy: -16.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -187.914718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.914718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.914718 (E_RNA) where: Base-Base interactions energy: -128.235 where: short stacking energy: -56.297 Base-Backbone interact. energy: -0.100 local terms energy: -59.579262 where: bonds (distance) C4'-P energy: -6.636 bonds (distance) P-C4' energy: -13.147 flat angles C4'-P-C4' energy: -11.721 flat angles P-C4'-P energy: -9.931 tors. eta vs tors. theta energy: -18.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -186.240122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.240122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.240122 (E_RNA) where: Base-Base interactions energy: -130.472 where: short stacking energy: -52.251 Base-Backbone interact. energy: -0.531 local terms energy: -55.236713 where: bonds (distance) C4'-P energy: -9.908 bonds (distance) P-C4' energy: -9.868 flat angles C4'-P-C4' energy: -10.432 flat angles P-C4'-P energy: -9.931 tors. eta vs tors. theta energy: -15.098 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: 4 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -177.945500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.945500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.945500 (E_RNA) where: Base-Base interactions energy: -126.178 where: short stacking energy: -45.610 Base-Backbone interact. energy: -0.002 local terms energy: -51.765732 where: bonds (distance) C4'-P energy: -10.700 bonds (distance) P-C4' energy: -8.669 flat angles C4'-P-C4' energy: -11.430 flat angles P-C4'-P energy: -9.722 tors. eta vs tors. theta energy: -11.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -181.242950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.242950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.242950 (E_RNA) where: Base-Base interactions energy: -127.521 where: short stacking energy: -48.328 Base-Backbone interact. energy: -0.019 local terms energy: -53.702637 where: bonds (distance) C4'-P energy: -11.590 bonds (distance) P-C4' energy: -8.488 flat angles C4'-P-C4' energy: -12.629 flat angles P-C4'-P energy: -5.894 tors. eta vs tors. theta energy: -15.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -174.599452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.599452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.599452 (E_RNA) where: Base-Base interactions energy: -121.165 where: short stacking energy: -49.574 Base-Backbone interact. energy: -0.004 local terms energy: -53.431020 where: bonds (distance) C4'-P energy: -7.334 bonds (distance) P-C4' energy: -13.705 flat angles C4'-P-C4' energy: -11.147 flat angles P-C4'-P energy: -7.380 tors. eta vs tors. theta energy: -13.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -70.298769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.298769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.298769 (E_RNA) where: Base-Base interactions energy: -21.338 where: short stacking energy: -21.338 Base-Backbone interact. energy: -0.010 local terms energy: -48.950703 where: bonds (distance) C4'-P energy: -13.375 bonds (distance) P-C4' energy: -11.199 flat angles C4'-P-C4' energy: -13.796 flat angles P-C4'-P energy: -8.454 tors. eta vs tors. theta energy: -2.126 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: 8 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -59.095677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.095677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.095677 (E_RNA) where: Base-Base interactions energy: -30.410 where: short stacking energy: -8.565 Base-Backbone interact. energy: -0.672 local terms energy: -28.014372 where: bonds (distance) C4'-P energy: -8.259 bonds (distance) P-C4' energy: -9.761 flat angles C4'-P-C4' energy: -9.366 flat angles P-C4'-P energy: -4.177 tors. eta vs tors. theta energy: 3.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -201.934291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.934291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.934291 (E_RNA) where: Base-Base interactions energy: -136.518 where: short stacking energy: -52.039 Base-Backbone interact. energy: -0.031 local terms energy: -65.385704 where: bonds (distance) C4'-P energy: -11.509 bonds (distance) P-C4' energy: -15.351 flat angles C4'-P-C4' energy: -13.339 flat angles P-C4'-P energy: -10.884 tors. eta vs tors. theta energy: -14.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -200.961909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.961909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.961909 (E_RNA) where: Base-Base interactions energy: -135.457 where: short stacking energy: -55.152 Base-Backbone interact. energy: -0.082 local terms energy: -65.422631 where: bonds (distance) C4'-P energy: -12.522 bonds (distance) P-C4' energy: -11.802 flat angles C4'-P-C4' energy: -12.953 flat angles P-C4'-P energy: -9.427 tors. eta vs tors. theta energy: -18.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -200.940102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.940102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.940102 (E_RNA) where: Base-Base interactions energy: -134.617 where: short stacking energy: -59.314 Base-Backbone interact. energy: -0.001 local terms energy: -66.321679 where: bonds (distance) C4'-P energy: -11.772 bonds (distance) P-C4' energy: -12.917 flat angles C4'-P-C4' energy: -13.836 flat angles P-C4'-P energy: -11.069 tors. eta vs tors. theta energy: -16.728 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: 5 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -184.419682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.419682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.419682 (E_RNA) where: Base-Base interactions energy: -125.095 where: short stacking energy: -48.579 Base-Backbone interact. energy: -0.437 local terms energy: -58.888318 where: bonds (distance) C4'-P energy: -12.355 bonds (distance) P-C4' energy: -11.154 flat angles C4'-P-C4' energy: -13.936 flat angles P-C4'-P energy: -9.840 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: 5, replica: 10 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -186.968694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.968694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.968694 (E_RNA) where: Base-Base interactions energy: -123.003 where: short stacking energy: -51.929 Base-Backbone interact. energy: -0.016 local terms energy: -63.950144 where: bonds (distance) C4'-P energy: -13.810 bonds (distance) P-C4' energy: -10.256 flat angles C4'-P-C4' energy: -12.494 flat angles P-C4'-P energy: -11.317 tors. eta vs tors. theta energy: -16.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -181.631672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.631672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.631672 (E_RNA) where: Base-Base interactions energy: -129.640 where: short stacking energy: -55.866 Base-Backbone interact. energy: -0.072 local terms energy: -51.919756 where: bonds (distance) C4'-P energy: -9.194 bonds (distance) P-C4' energy: -10.511 flat angles C4'-P-C4' energy: -10.550 flat angles P-C4'-P energy: -5.759 tors. eta vs tors. theta energy: -15.906 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: 6 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -182.493676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.493676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.493676 (E_RNA) where: Base-Base interactions energy: -121.305 where: short stacking energy: -50.385 Base-Backbone interact. energy: -0.017 local terms energy: -61.171507 where: bonds (distance) C4'-P energy: -10.278 bonds (distance) P-C4' energy: -13.959 flat angles C4'-P-C4' energy: -12.294 flat angles P-C4'-P energy: -9.307 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: 8, replica: 7 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -172.466723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.466723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.466723 (E_RNA) where: Base-Base interactions energy: -117.329 where: short stacking energy: -45.721 Base-Backbone interact. energy: -0.015 local terms energy: -55.122916 where: bonds (distance) C4'-P energy: -11.060 bonds (distance) P-C4' energy: -10.059 flat angles C4'-P-C4' energy: -11.782 flat angles P-C4'-P energy: -9.420 tors. eta vs tors. theta energy: -12.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -76.302971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.302971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.302971 (E_RNA) where: Base-Base interactions energy: -25.035 where: short stacking energy: -21.726 Base-Backbone interact. energy: -0.027 local terms energy: -51.240744 where: bonds (distance) C4'-P energy: -9.884 bonds (distance) P-C4' energy: -14.224 flat angles C4'-P-C4' energy: -11.304 flat angles P-C4'-P energy: -7.897 tors. eta vs tors. theta energy: -7.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -72.878429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.878429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.878429 (E_RNA) where: Base-Base interactions energy: -36.133 where: short stacking energy: -29.381 Base-Backbone interact. energy: -0.002 local terms energy: -36.742970 where: bonds (distance) C4'-P energy: -2.863 bonds (distance) P-C4' energy: -9.745 flat angles C4'-P-C4' energy: -9.546 flat angles P-C4'-P energy: -6.747 tors. eta vs tors. theta energy: -7.842 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: 9 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -208.823113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.823113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.823113 (E_RNA) where: Base-Base interactions energy: -142.825 where: short stacking energy: -58.183 Base-Backbone interact. energy: -0.874 local terms energy: -65.124174 where: bonds (distance) C4'-P energy: -12.891 bonds (distance) P-C4' energy: -12.247 flat angles C4'-P-C4' energy: -13.998 flat angles P-C4'-P energy: -6.883 tors. eta vs tors. theta energy: -19.106 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: 2 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -203.653587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.653587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.653587 (E_RNA) where: Base-Base interactions energy: -140.907 where: short stacking energy: -62.394 Base-Backbone interact. energy: -0.022 local terms energy: -62.724225 where: bonds (distance) C4'-P energy: -11.095 bonds (distance) P-C4' energy: -13.307 flat angles C4'-P-C4' energy: -13.794 flat angles P-C4'-P energy: -8.936 tors. eta vs tors. theta energy: -15.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -197.571726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.571726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.571726 (E_RNA) where: Base-Base interactions energy: -133.885 where: short stacking energy: -57.509 Base-Backbone interact. energy: -0.000 local terms energy: -63.686489 where: bonds (distance) C4'-P energy: -11.917 bonds (distance) P-C4' energy: -13.564 flat angles C4'-P-C4' energy: -12.084 flat angles P-C4'-P energy: -10.204 tors. eta vs tors. theta energy: -15.918 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: 10 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -186.051296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.051296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.051296 (E_RNA) where: Base-Base interactions energy: -128.623 where: short stacking energy: -51.129 Base-Backbone interact. energy: -0.008 local terms energy: -57.419741 where: bonds (distance) C4'-P energy: -10.932 bonds (distance) P-C4' energy: -8.519 flat angles C4'-P-C4' energy: -12.817 flat angles P-C4'-P energy: -10.550 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: 5, replica: 5 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -179.994554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.994554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.994554 (E_RNA) where: Base-Base interactions energy: -126.164 where: short stacking energy: -51.403 Base-Backbone interact. energy: -0.256 local terms energy: -53.574659 where: bonds (distance) C4'-P energy: -14.307 bonds (distance) P-C4' energy: -10.312 flat angles C4'-P-C4' energy: -6.026 flat angles P-C4'-P energy: -7.972 tors. eta vs tors. theta energy: -14.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -187.342276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.342276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.342276 (E_RNA) where: Base-Base interactions energy: -130.309 where: short stacking energy: -54.644 Base-Backbone interact. energy: -0.012 local terms energy: -57.021250 where: bonds (distance) C4'-P energy: -12.601 bonds (distance) P-C4' energy: -9.056 flat angles C4'-P-C4' energy: -13.371 flat angles P-C4'-P energy: -5.616 tors. eta vs tors. theta energy: -16.377 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: 337 Temperature: 1.200000 Total energy: -181.797678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.797678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.797678 (E_RNA) where: Base-Base interactions energy: -123.817 where: short stacking energy: -53.959 Base-Backbone interact. energy: -0.001 local terms energy: -57.979520 where: bonds (distance) C4'-P energy: -10.859 bonds (distance) P-C4' energy: -10.353 flat angles C4'-P-C4' energy: -13.288 flat angles P-C4'-P energy: -7.340 tors. eta vs tors. theta energy: -16.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -162.021369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.021369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.021369 (E_RNA) where: Base-Base interactions energy: -115.564 where: short stacking energy: -45.559 Base-Backbone interact. energy: -0.089 local terms energy: -46.368861 where: bonds (distance) C4'-P energy: -10.601 bonds (distance) P-C4' energy: -11.125 flat angles C4'-P-C4' energy: -8.869 flat angles P-C4'-P energy: -6.788 tors. eta vs tors. theta energy: -8.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -69.249792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.249792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.249792 (E_RNA) where: Base-Base interactions energy: -30.915 where: short stacking energy: -30.915 Base-Backbone interact. energy: -0.099 local terms energy: -38.235872 where: bonds (distance) C4'-P energy: -11.657 bonds (distance) P-C4' energy: -15.143 flat angles C4'-P-C4' energy: -7.174 flat angles P-C4'-P energy: -0.138 tors. eta vs tors. theta energy: -4.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -68.161687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.161687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.161687 (E_RNA) where: Base-Base interactions energy: -21.521 where: short stacking energy: -21.282 Base-Backbone interact. energy: -0.064 local terms energy: -46.576608 where: bonds (distance) C4'-P energy: -14.207 bonds (distance) P-C4' energy: -9.640 flat angles C4'-P-C4' energy: -10.453 flat angles P-C4'-P energy: -5.924 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: 1, replica: 9 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -205.735984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.735984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.735984 (E_RNA) where: Base-Base interactions energy: -137.964 where: short stacking energy: -61.758 Base-Backbone interact. energy: -0.005 local terms energy: -67.766988 where: bonds (distance) C4'-P energy: -13.424 bonds (distance) P-C4' energy: -10.451 flat angles C4'-P-C4' energy: -14.017 flat angles P-C4'-P energy: -11.727 tors. eta vs tors. theta energy: -18.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -188.288494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.288494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.288494 (E_RNA) where: Base-Base interactions energy: -128.612 where: short stacking energy: -58.111 Base-Backbone interact. energy: -0.002 local terms energy: -59.675024 where: bonds (distance) C4'-P energy: -11.215 bonds (distance) P-C4' energy: -11.532 flat angles C4'-P-C4' energy: -11.846 flat angles P-C4'-P energy: -8.490 tors. eta vs tors. theta energy: -16.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -196.196209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.196209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.196209 (E_RNA) where: Base-Base interactions energy: -130.256 where: short stacking energy: -56.441 Base-Backbone interact. energy: -0.029 local terms energy: -65.911461 where: bonds (distance) C4'-P energy: -13.723 bonds (distance) P-C4' energy: -15.333 flat angles C4'-P-C4' energy: -11.985 flat angles P-C4'-P energy: -7.090 tors. eta vs tors. theta energy: -17.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -183.101872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.101872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.101872 (E_RNA) where: Base-Base interactions energy: -124.117 where: short stacking energy: -45.154 Base-Backbone interact. energy: -0.077 local terms energy: -58.908000 where: bonds (distance) C4'-P energy: -11.297 bonds (distance) P-C4' energy: -13.959 flat angles C4'-P-C4' energy: -12.205 flat angles P-C4'-P energy: -9.606 tors. eta vs tors. theta energy: -11.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -185.554324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.554324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.554324 (E_RNA) where: Base-Base interactions energy: -125.830 where: short stacking energy: -53.941 Base-Backbone interact. energy: -0.016 local terms energy: -59.707878 where: bonds (distance) C4'-P energy: -12.737 bonds (distance) P-C4' energy: -12.214 flat angles C4'-P-C4' energy: -12.081 flat angles P-C4'-P energy: -7.275 tors. eta vs tors. theta energy: -15.400 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: 5 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -182.028437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.028437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.028437 (E_RNA) where: Base-Base interactions energy: -130.093 where: short stacking energy: -55.238 Base-Backbone interact. energy: -0.009 local terms energy: -51.926064 where: bonds (distance) C4'-P energy: -9.976 bonds (distance) P-C4' energy: -9.610 flat angles C4'-P-C4' energy: -10.936 flat angles P-C4'-P energy: -6.719 tors. eta vs tors. theta energy: -14.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -185.054354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.054354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.054354 (E_RNA) where: Base-Base interactions energy: -128.833 where: short stacking energy: -54.721 Base-Backbone interact. energy: -0.009 local terms energy: -56.212500 where: bonds (distance) C4'-P energy: -11.524 bonds (distance) P-C4' energy: -15.097 flat angles C4'-P-C4' energy: -6.072 flat angles P-C4'-P energy: -7.207 tors. eta vs tors. theta energy: -16.313 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: 8, replica: 7 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -174.966598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.966598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.966598 (E_RNA) where: Base-Base interactions energy: -116.706 where: short stacking energy: -52.156 Base-Backbone interact. energy: -0.696 local terms energy: -57.563755 where: bonds (distance) C4'-P energy: -7.378 bonds (distance) P-C4' energy: -14.664 flat angles C4'-P-C4' energy: -10.402 flat angles P-C4'-P energy: -10.328 tors. eta vs tors. theta energy: -14.792 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: 8 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -72.163526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.163526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.163526 (E_RNA) where: Base-Base interactions energy: -24.547 where: short stacking energy: -20.853 Base-Backbone interact. energy: 0.062 local terms energy: -47.677706 where: bonds (distance) C4'-P energy: -11.562 bonds (distance) P-C4' energy: -13.991 flat angles C4'-P-C4' energy: -12.606 flat angles P-C4'-P energy: -9.651 tors. eta vs tors. theta energy: 0.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -65.835362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.835362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.835362 (E_RNA) where: Base-Base interactions energy: -26.649 where: short stacking energy: -14.145 Base-Backbone interact. energy: 0.541 local terms energy: -39.727207 where: bonds (distance) C4'-P energy: -13.015 bonds (distance) P-C4' energy: -8.043 flat angles C4'-P-C4' energy: -9.676 flat angles P-C4'-P energy: -10.124 tors. eta vs tors. theta energy: 1.130 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: 1, replica: 9 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -206.196407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.196407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.196407 (E_RNA) where: Base-Base interactions energy: -140.308 where: short stacking energy: -62.052 Base-Backbone interact. energy: -0.052 local terms energy: -65.836055 where: bonds (distance) C4'-P energy: -13.442 bonds (distance) P-C4' energy: -13.247 flat angles C4'-P-C4' energy: -15.069 flat angles P-C4'-P energy: -8.496 tors. eta vs tors. theta energy: -15.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -198.726262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.726262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.726262 (E_RNA) where: Base-Base interactions energy: -135.526 where: short stacking energy: -53.704 Base-Backbone interact. energy: -0.151 local terms energy: -63.049001 where: bonds (distance) C4'-P energy: -13.258 bonds (distance) P-C4' energy: -15.114 flat angles C4'-P-C4' energy: -13.266 flat angles P-C4'-P energy: -6.259 tors. eta vs tors. theta energy: -15.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -201.534473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.534473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.534473 (E_RNA) where: Base-Base interactions energy: -133.347 where: short stacking energy: -59.564 Base-Backbone interact. energy: -0.001 local terms energy: -68.186829 where: bonds (distance) C4'-P energy: -14.348 bonds (distance) P-C4' energy: -12.288 flat angles C4'-P-C4' energy: -15.143 flat angles P-C4'-P energy: -10.097 tors. eta vs tors. theta energy: -16.311 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: 1 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -199.344743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.344743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.344743 (E_RNA) where: Base-Base interactions energy: -135.487 where: short stacking energy: -56.750 Base-Backbone interact. energy: -0.007 local terms energy: -63.849949 where: bonds (distance) C4'-P energy: -11.687 bonds (distance) P-C4' energy: -12.938 flat angles C4'-P-C4' energy: -14.136 flat angles P-C4'-P energy: -8.218 tors. eta vs tors. theta energy: -16.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -182.547831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.547831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.547831 (E_RNA) where: Base-Base interactions energy: -127.038 where: short stacking energy: -52.652 Base-Backbone interact. energy: -0.158 local terms energy: -55.351900 where: bonds (distance) C4'-P energy: -10.427 bonds (distance) P-C4' energy: -12.209 flat angles C4'-P-C4' energy: -14.094 flat angles P-C4'-P energy: -6.576 tors. eta vs tors. theta energy: -12.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -169.718161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.718161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.718161 (E_RNA) where: Base-Base interactions energy: -117.896 where: short stacking energy: -52.697 Base-Backbone interact. energy: -0.001 local terms energy: -51.820908 where: bonds (distance) C4'-P energy: -7.331 bonds (distance) P-C4' energy: -11.637 flat angles C4'-P-C4' energy: -12.300 flat angles P-C4'-P energy: -8.546 tors. eta vs tors. theta energy: -12.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -181.938653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.938653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.938653 (E_RNA) where: Base-Base interactions energy: -124.849 where: short stacking energy: -50.585 Base-Backbone interact. energy: -0.099 local terms energy: -56.990311 where: bonds (distance) C4'-P energy: -12.058 bonds (distance) P-C4' energy: -13.331 flat angles C4'-P-C4' energy: -14.565 flat angles P-C4'-P energy: -4.518 tors. eta vs tors. theta energy: -12.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -177.754004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.754004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.754004 (E_RNA) where: Base-Base interactions energy: -119.125 where: short stacking energy: -52.870 Base-Backbone interact. energy: -0.045 local terms energy: -58.584773 where: bonds (distance) C4'-P energy: -9.986 bonds (distance) P-C4' energy: -8.816 flat angles C4'-P-C4' energy: -13.743 flat angles P-C4'-P energy: -9.550 tors. eta vs tors. theta energy: -16.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -79.673336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.673336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.673336 (E_RNA) where: Base-Base interactions energy: -31.973 where: short stacking energy: -30.914 Base-Backbone interact. energy: -0.050 local terms energy: -47.650235 where: bonds (distance) C4'-P energy: -12.564 bonds (distance) P-C4' energy: -9.232 flat angles C4'-P-C4' energy: -13.124 flat angles P-C4'-P energy: -8.677 tors. eta vs tors. theta energy: -4.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -59.133755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.133755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.133755 (E_RNA) where: Base-Base interactions energy: -25.198 where: short stacking energy: -15.662 Base-Backbone interact. energy: 0.222 local terms energy: -34.158014 where: bonds (distance) C4'-P energy: -8.039 bonds (distance) P-C4' energy: -12.852 flat angles C4'-P-C4' energy: -7.118 flat angles P-C4'-P energy: -7.278 tors. eta vs tors. theta energy: 1.129 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: 9 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -203.901275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.901275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.901275 (E_RNA) where: Base-Base interactions energy: -140.689 where: short stacking energy: -60.278 Base-Backbone interact. energy: -0.005 local terms energy: -63.206952 where: bonds (distance) C4'-P energy: -13.516 bonds (distance) P-C4' energy: -11.439 flat angles C4'-P-C4' energy: -13.708 flat angles P-C4'-P energy: -8.451 tors. eta vs tors. theta energy: -16.093 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: 10 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -201.819210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.819210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.819210 (E_RNA) where: Base-Base interactions energy: -140.777 where: short stacking energy: -59.758 Base-Backbone interact. energy: -0.004 local terms energy: -61.038205 where: bonds (distance) C4'-P energy: -13.196 bonds (distance) P-C4' energy: -8.519 flat angles C4'-P-C4' energy: -13.752 flat angles P-C4'-P energy: -10.340 tors. eta vs tors. theta energy: -15.231 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: 2 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -200.668965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.668965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.668965 (E_RNA) where: Base-Base interactions energy: -132.367 where: short stacking energy: -56.665 Base-Backbone interact. energy: -0.001 local terms energy: -68.300878 where: bonds (distance) C4'-P energy: -12.729 bonds (distance) P-C4' energy: -13.591 flat angles C4'-P-C4' energy: -15.001 flat angles P-C4'-P energy: -10.318 tors. eta vs tors. theta energy: -16.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -193.857275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.857275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.857275 (E_RNA) where: Base-Base interactions energy: -135.654 where: short stacking energy: -57.661 Base-Backbone interact. energy: -0.068 local terms energy: -58.135271 where: bonds (distance) C4'-P energy: -12.042 bonds (distance) P-C4' energy: -10.928 flat angles C4'-P-C4' energy: -11.644 flat angles P-C4'-P energy: -5.245 tors. eta vs tors. theta energy: -18.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -189.801933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.801933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.801933 (E_RNA) where: Base-Base interactions energy: -126.321 where: short stacking energy: -57.096 Base-Backbone interact. energy: -0.121 local terms energy: -63.360093 where: bonds (distance) C4'-P energy: -13.491 bonds (distance) P-C4' energy: -13.575 flat angles C4'-P-C4' energy: -13.485 flat angles P-C4'-P energy: -6.255 tors. eta vs tors. theta energy: -16.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -181.257743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.257743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.257743 (E_RNA) where: Base-Base interactions energy: -122.217 where: short stacking energy: -48.785 Base-Backbone interact. energy: -0.012 local terms energy: -59.028371 where: bonds (distance) C4'-P energy: -10.540 bonds (distance) P-C4' energy: -12.704 flat angles C4'-P-C4' energy: -12.710 flat angles P-C4'-P energy: -9.363 tors. eta vs tors. theta energy: -13.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -184.523392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.523392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.523392 (E_RNA) where: Base-Base interactions energy: -136.043 where: short stacking energy: -57.389 Base-Backbone interact. energy: 0.216 local terms energy: -48.696379 where: bonds (distance) C4'-P energy: -10.468 bonds (distance) P-C4' energy: -5.815 flat angles C4'-P-C4' energy: -9.570 flat angles P-C4'-P energy: -8.418 tors. eta vs tors. theta energy: -14.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -174.839218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.839218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.839218 (E_RNA) where: Base-Base interactions energy: -123.277 where: short stacking energy: -46.316 Base-Backbone interact. energy: -0.004 local terms energy: -51.558382 where: bonds (distance) C4'-P energy: -7.394 bonds (distance) P-C4' energy: -12.316 flat angles C4'-P-C4' energy: -9.136 flat angles P-C4'-P energy: -11.331 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: 9, replica: 3 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -68.479923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.479923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.479923 (E_RNA) where: Base-Base interactions energy: -31.010 where: short stacking energy: -14.311 Base-Backbone interact. energy: 1.130 local terms energy: -38.599871 where: bonds (distance) C4'-P energy: -11.967 bonds (distance) P-C4' energy: -11.183 flat angles C4'-P-C4' energy: -10.649 flat angles P-C4'-P energy: -7.103 tors. eta vs tors. theta energy: 2.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -60.975149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.975149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.975149 (E_RNA) where: Base-Base interactions energy: -16.728 where: short stacking energy: -16.775 Base-Backbone interact. energy: -0.462 local terms energy: -43.785710 where: bonds (distance) C4'-P energy: -11.347 bonds (distance) P-C4' energy: -14.618 flat angles C4'-P-C4' energy: -11.489 flat angles P-C4'-P energy: -7.407 tors. eta vs tors. theta energy: 1.075 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: 1, replica: 9 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -193.876057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.876057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.876057 (E_RNA) where: Base-Base interactions energy: -133.014 where: short stacking energy: -54.379 Base-Backbone interact. energy: -0.006 local terms energy: -60.855431 where: bonds (distance) C4'-P energy: -12.038 bonds (distance) P-C4' energy: -15.355 flat angles C4'-P-C4' energy: -11.843 flat angles P-C4'-P energy: -6.126 tors. eta vs tors. theta energy: -15.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -200.775789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.775789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.775789 (E_RNA) where: Base-Base interactions energy: -137.899 where: short stacking energy: -59.462 Base-Backbone interact. energy: -0.000 local terms energy: -62.876130 where: bonds (distance) C4'-P energy: -11.500 bonds (distance) P-C4' energy: -13.698 flat angles C4'-P-C4' energy: -13.364 flat angles P-C4'-P energy: -9.093 tors. eta vs tors. theta energy: -15.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -195.264962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.264962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.264962 (E_RNA) where: Base-Base interactions energy: -136.919 where: short stacking energy: -54.504 Base-Backbone interact. energy: -0.510 local terms energy: -57.835963 where: bonds (distance) C4'-P energy: -8.499 bonds (distance) P-C4' energy: -13.324 flat angles C4'-P-C4' energy: -11.974 flat angles P-C4'-P energy: -8.032 tors. eta vs tors. theta energy: -16.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -176.449578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.449578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.449578 (E_RNA) where: Base-Base interactions energy: -121.661 where: short stacking energy: -50.428 Base-Backbone interact. energy: 0.294 local terms energy: -55.082237 where: bonds (distance) C4'-P energy: -13.028 bonds (distance) P-C4' energy: -8.188 flat angles C4'-P-C4' energy: -13.329 flat angles P-C4'-P energy: -6.313 tors. eta vs tors. theta energy: -14.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -193.788287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.788287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.788287 (E_RNA) where: Base-Base interactions energy: -135.259 where: short stacking energy: -57.219 Base-Backbone interact. energy: -0.004 local terms energy: -58.525620 where: bonds (distance) C4'-P energy: -6.928 bonds (distance) P-C4' energy: -12.280 flat angles C4'-P-C4' energy: -13.779 flat angles P-C4'-P energy: -10.834 tors. eta vs tors. theta energy: -14.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -178.652254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.652254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.652254 (E_RNA) where: Base-Base interactions energy: -125.115 where: short stacking energy: -56.076 Base-Backbone interact. energy: -0.001 local terms energy: -53.536318 where: bonds (distance) C4'-P energy: -8.808 bonds (distance) P-C4' energy: -11.809 flat angles C4'-P-C4' energy: -13.018 flat angles P-C4'-P energy: -5.283 tors. eta vs tors. theta energy: -14.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -180.562884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.562884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.562884 (E_RNA) where: Base-Base interactions energy: -123.843 where: short stacking energy: -49.692 Base-Backbone interact. energy: -0.004 local terms energy: -56.716622 where: bonds (distance) C4'-P energy: -11.132 bonds (distance) P-C4' energy: -9.686 flat angles C4'-P-C4' energy: -12.198 flat angles P-C4'-P energy: -7.441 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: 8, replica: 5 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -162.864308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.864308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.864308 (E_RNA) where: Base-Base interactions energy: -112.305 where: short stacking energy: -45.920 Base-Backbone interact. energy: -0.110 local terms energy: -50.448545 where: bonds (distance) C4'-P energy: -5.412 bonds (distance) P-C4' energy: -12.884 flat angles C4'-P-C4' energy: -8.121 flat angles P-C4'-P energy: -8.745 tors. eta vs tors. theta energy: -15.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -79.489319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.489319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.489319 (E_RNA) where: Base-Base interactions energy: -35.716 where: short stacking energy: -19.904 Base-Backbone interact. energy: -0.124 local terms energy: -43.649904 where: bonds (distance) C4'-P energy: -8.656 bonds (distance) P-C4' energy: -10.891 flat angles C4'-P-C4' energy: -10.162 flat angles P-C4'-P energy: -7.061 tors. eta vs tors. theta energy: -6.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -72.840997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.840997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.840997 (E_RNA) where: Base-Base interactions energy: -27.972 where: short stacking energy: -25.655 Base-Backbone interact. energy: -0.068 local terms energy: -44.801136 where: bonds (distance) C4'-P energy: -12.767 bonds (distance) P-C4' energy: -11.473 flat angles C4'-P-C4' energy: -8.682 flat angles P-C4'-P energy: -9.667 tors. eta vs tors. theta energy: -2.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -200.282917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.282917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.282917 (E_RNA) where: Base-Base interactions energy: -138.811 where: short stacking energy: -46.170 Base-Backbone interact. energy: -0.043 local terms energy: -61.429544 where: bonds (distance) C4'-P energy: -11.132 bonds (distance) P-C4' energy: -14.794 flat angles C4'-P-C4' energy: -12.442 flat angles P-C4'-P energy: -8.059 tors. eta vs tors. theta energy: -15.003 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: 9 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -200.177694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.177694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.177694 (E_RNA) where: Base-Base interactions energy: -139.455 where: short stacking energy: -58.197 Base-Backbone interact. energy: -0.006 local terms energy: -60.716304 where: bonds (distance) C4'-P energy: -12.431 bonds (distance) P-C4' energy: -14.328 flat angles C4'-P-C4' energy: -13.169 flat angles P-C4'-P energy: -7.068 tors. eta vs tors. theta energy: -13.720 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: 4 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -202.838784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.838784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.838784 (E_RNA) where: Base-Base interactions energy: -142.040 where: short stacking energy: -61.117 Base-Backbone interact. energy: -0.001 local terms energy: -60.797929 where: bonds (distance) C4'-P energy: -9.269 bonds (distance) P-C4' energy: -11.301 flat angles C4'-P-C4' energy: -13.962 flat angles P-C4'-P energy: -10.214 tors. eta vs tors. theta energy: -16.052 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: 10 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -197.688990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.688990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.688990 (E_RNA) where: Base-Base interactions energy: -133.149 where: short stacking energy: -55.223 Base-Backbone interact. energy: -0.028 local terms energy: -64.511470 where: bonds (distance) C4'-P energy: -11.640 bonds (distance) P-C4' energy: -14.882 flat angles C4'-P-C4' energy: -12.606 flat angles P-C4'-P energy: -11.296 tors. eta vs tors. theta energy: -14.087 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: 7 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -186.577925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.577925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.577925 (E_RNA) where: Base-Base interactions energy: -130.457 where: short stacking energy: -55.664 Base-Backbone interact. energy: -0.043 local terms energy: -56.077039 where: bonds (distance) C4'-P energy: -7.851 bonds (distance) P-C4' energy: -13.088 flat angles C4'-P-C4' energy: -12.473 flat angles P-C4'-P energy: -7.021 tors. eta vs tors. theta energy: -15.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -189.057967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.057967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.057967 (E_RNA) where: Base-Base interactions energy: -131.864 where: short stacking energy: -59.231 Base-Backbone interact. energy: 0.461 local terms energy: -57.654944 where: bonds (distance) C4'-P energy: -11.225 bonds (distance) P-C4' energy: -12.556 flat angles C4'-P-C4' energy: -11.874 flat angles P-C4'-P energy: -5.741 tors. eta vs tors. theta energy: -16.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -165.771487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.771487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.771487 (E_RNA) where: Base-Base interactions energy: -112.810 where: short stacking energy: -45.951 Base-Backbone interact. energy: -0.029 local terms energy: -52.932046 where: bonds (distance) C4'-P energy: -6.047 bonds (distance) P-C4' energy: -12.037 flat angles C4'-P-C4' energy: -10.256 flat angles P-C4'-P energy: -10.051 tors. eta vs tors. theta energy: -14.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -163.677298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.677298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.677298 (E_RNA) where: Base-Base interactions energy: -112.557 where: short stacking energy: -43.736 Base-Backbone interact. energy: -0.183 local terms energy: -50.937679 where: bonds (distance) C4'-P energy: -11.794 bonds (distance) P-C4' energy: -9.563 flat angles C4'-P-C4' energy: -11.640 flat angles P-C4'-P energy: -6.713 tors. eta vs tors. theta energy: -11.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -62.757135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.757135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.757135 (E_RNA) where: Base-Base interactions energy: -21.040 where: short stacking energy: -21.040 Base-Backbone interact. energy: -0.093 local terms energy: -41.623737 where: bonds (distance) C4'-P energy: -11.337 bonds (distance) P-C4' energy: -10.346 flat angles C4'-P-C4' energy: -12.535 flat angles P-C4'-P energy: -5.044 tors. eta vs tors. theta energy: -2.362 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: 3 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -66.842032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.842032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.842032 (E_RNA) where: Base-Base interactions energy: -26.437 where: short stacking energy: -17.657 Base-Backbone interact. energy: -0.411 local terms energy: -39.994014 where: bonds (distance) C4'-P energy: -9.683 bonds (distance) P-C4' energy: -14.199 flat angles C4'-P-C4' energy: -10.395 flat angles P-C4'-P energy: -6.318 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: 2 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -198.996047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.996047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.996047 (E_RNA) where: Base-Base interactions energy: -138.150 where: short stacking energy: -57.626 Base-Backbone interact. energy: -0.043 local terms energy: -60.803326 where: bonds (distance) C4'-P energy: -11.656 bonds (distance) P-C4' energy: -12.158 flat angles C4'-P-C4' energy: -13.155 flat angles P-C4'-P energy: -7.569 tors. eta vs tors. theta energy: -16.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -198.760463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.760463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.760463 (E_RNA) where: Base-Base interactions energy: -133.706 where: short stacking energy: -59.756 Base-Backbone interact. energy: -0.021 local terms energy: -65.032918 where: bonds (distance) C4'-P energy: -13.690 bonds (distance) P-C4' energy: -12.613 flat angles C4'-P-C4' energy: -13.427 flat angles P-C4'-P energy: -10.580 tors. eta vs tors. theta energy: -14.723 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: 343 Temperature: 1.000000 Total energy: -197.996813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.996813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.996813 (E_RNA) where: Base-Base interactions energy: -133.742 where: short stacking energy: -53.681 Base-Backbone interact. energy: -0.090 local terms energy: -64.164748 where: bonds (distance) C4'-P energy: -12.679 bonds (distance) P-C4' energy: -13.000 flat angles C4'-P-C4' energy: -12.300 flat angles P-C4'-P energy: -11.428 tors. eta vs tors. theta energy: -14.758 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: 343 Temperature: 1.050000 Total energy: -188.293499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.293499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.293499 (E_RNA) where: Base-Base interactions energy: -131.256 where: short stacking energy: -57.246 Base-Backbone interact. energy: -0.003 local terms energy: -57.034570 where: bonds (distance) C4'-P energy: -12.521 bonds (distance) P-C4' energy: -14.435 flat angles C4'-P-C4' energy: -9.497 flat angles P-C4'-P energy: -5.082 tors. eta vs tors. theta energy: -15.500 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: 10 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -187.206400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.206400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.206400 (E_RNA) where: Base-Base interactions energy: -131.235 where: short stacking energy: -50.428 Base-Backbone interact. energy: -0.024 local terms energy: -55.947503 where: bonds (distance) C4'-P energy: -12.078 bonds (distance) P-C4' energy: -12.877 flat angles C4'-P-C4' energy: -13.247 flat angles P-C4'-P energy: -4.248 tors. eta vs tors. theta energy: -13.498 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: 5 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -185.994793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.994793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.994793 (E_RNA) where: Base-Base interactions energy: -128.999 where: short stacking energy: -54.302 Base-Backbone interact. energy: -0.118 local terms energy: -56.877405 where: bonds (distance) C4'-P energy: -11.002 bonds (distance) P-C4' energy: -13.031 flat angles C4'-P-C4' energy: -8.616 flat angles P-C4'-P energy: -8.279 tors. eta vs tors. theta energy: -15.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -175.445429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.445429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.445429 (E_RNA) where: Base-Base interactions energy: -128.730 where: short stacking energy: -52.315 Base-Backbone interact. energy: 2.311 local terms energy: -49.026715 where: bonds (distance) C4'-P energy: -10.382 bonds (distance) P-C4' energy: -13.258 flat angles C4'-P-C4' energy: -8.240 flat angles P-C4'-P energy: -7.673 tors. eta vs tors. theta energy: -9.474 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: 6 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -168.099771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.099771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.099771 (E_RNA) where: Base-Base interactions energy: -113.514 where: short stacking energy: -39.774 Base-Backbone interact. energy: -0.075 local terms energy: -54.511179 where: bonds (distance) C4'-P energy: -10.266 bonds (distance) P-C4' energy: -12.889 flat angles C4'-P-C4' energy: -10.402 flat angles P-C4'-P energy: -10.619 tors. eta vs tors. theta energy: -10.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -68.061061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.061061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.061061 (E_RNA) where: Base-Base interactions energy: -24.870 where: short stacking energy: -24.870 Base-Backbone interact. energy: -0.006 local terms energy: -43.185366 where: bonds (distance) C4'-P energy: -8.843 bonds (distance) P-C4' energy: -12.843 flat angles C4'-P-C4' energy: -8.934 flat angles P-C4'-P energy: -6.712 tors. eta vs tors. theta energy: -5.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -68.522934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.522934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.522934 (E_RNA) where: Base-Base interactions energy: -25.713 where: short stacking energy: -23.754 Base-Backbone interact. energy: -0.331 local terms energy: -42.478842 where: bonds (distance) C4'-P energy: -11.976 bonds (distance) P-C4' energy: -10.415 flat angles C4'-P-C4' energy: -10.186 flat angles P-C4'-P energy: -8.868 tors. eta vs tors. theta energy: -1.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -208.866119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.866119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.866119 (E_RNA) where: Base-Base interactions energy: -139.613 where: short stacking energy: -60.262 Base-Backbone interact. energy: -0.001 local terms energy: -69.252061 where: bonds (distance) C4'-P energy: -13.615 bonds (distance) P-C4' energy: -15.802 flat angles C4'-P-C4' energy: -13.575 flat angles P-C4'-P energy: -10.213 tors. eta vs tors. theta energy: -16.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -202.687226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.687226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.687226 (E_RNA) where: Base-Base interactions energy: -141.229 where: short stacking energy: -60.611 Base-Backbone interact. energy: -0.004 local terms energy: -61.453889 where: bonds (distance) C4'-P energy: -9.641 bonds (distance) P-C4' energy: -12.567 flat angles C4'-P-C4' energy: -13.548 flat angles P-C4'-P energy: -9.649 tors. eta vs tors. theta energy: -16.048 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: 3, replica: 7 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -197.373961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.373961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.373961 (E_RNA) where: Base-Base interactions energy: -132.127 where: short stacking energy: -59.811 Base-Backbone interact. energy: 0.187 local terms energy: -65.433837 where: bonds (distance) C4'-P energy: -12.610 bonds (distance) P-C4' energy: -12.691 flat angles C4'-P-C4' energy: -12.968 flat angles P-C4'-P energy: -10.702 tors. eta vs tors. theta energy: -16.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -194.007832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.007832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.007832 (E_RNA) where: Base-Base interactions energy: -135.140 where: short stacking energy: -52.825 Base-Backbone interact. energy: -0.016 local terms energy: -58.851005 where: bonds (distance) C4'-P energy: -13.747 bonds (distance) P-C4' energy: -14.413 flat angles C4'-P-C4' energy: -13.685 flat angles P-C4'-P energy: -0.772 tors. eta vs tors. theta energy: -16.233 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: 10 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -194.413900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.413900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.413900 (E_RNA) where: Base-Base interactions energy: -141.086 where: short stacking energy: -58.204 Base-Backbone interact. energy: 1.520 local terms energy: -54.847333 where: bonds (distance) C4'-P energy: -13.442 bonds (distance) P-C4' energy: -11.862 flat angles C4'-P-C4' energy: -8.476 flat angles P-C4'-P energy: -7.496 tors. eta vs tors. theta energy: -13.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -177.908699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.908699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.908699 (E_RNA) where: Base-Base interactions energy: -115.450 where: short stacking energy: -47.540 Base-Backbone interact. energy: 0.310 local terms energy: -62.768976 where: bonds (distance) C4'-P energy: -13.035 bonds (distance) P-C4' energy: -8.435 flat angles C4'-P-C4' energy: -14.362 flat angles P-C4'-P energy: -12.105 tors. eta vs tors. theta energy: -14.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -178.730414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.730414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.730414 (E_RNA) where: Base-Base interactions energy: -129.494 where: short stacking energy: -51.794 Base-Backbone interact. energy: -0.075 local terms energy: -49.161375 where: bonds (distance) C4'-P energy: -7.997 bonds (distance) P-C4' energy: -10.843 flat angles C4'-P-C4' energy: -13.450 flat angles P-C4'-P energy: -3.816 tors. eta vs tors. theta energy: -13.055 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: 1 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -169.395499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.395499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.395499 (E_RNA) where: Base-Base interactions energy: -119.618 where: short stacking energy: -50.878 Base-Backbone interact. energy: -0.115 local terms energy: -49.662113 where: bonds (distance) C4'-P energy: -10.211 bonds (distance) P-C4' energy: -10.408 flat angles C4'-P-C4' energy: -12.733 flat angles P-C4'-P energy: -3.782 tors. eta vs tors. theta energy: -12.529 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: 9, replica: 3 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -80.395052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.395052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.395052 (E_RNA) where: Base-Base interactions energy: -40.546 where: short stacking energy: -12.787 Base-Backbone interact. energy: 0.367 local terms energy: -40.215902 where: bonds (distance) C4'-P energy: -7.798 bonds (distance) P-C4' energy: -10.700 flat angles C4'-P-C4' energy: -11.709 flat angles P-C4'-P energy: -6.719 tors. eta vs tors. theta energy: -3.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -60.481364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.481364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.481364 (E_RNA) where: Base-Base interactions energy: -26.258 where: short stacking energy: -12.252 Base-Backbone interact. energy: -0.138 local terms energy: -34.085302 where: bonds (distance) C4'-P energy: -13.222 bonds (distance) P-C4' energy: -15.837 flat angles C4'-P-C4' energy: -4.238 flat angles P-C4'-P energy: -5.090 tors. eta vs tors. theta energy: 4.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -204.448102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.448102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.448102 (E_RNA) where: Base-Base interactions energy: -139.342 where: short stacking energy: -57.904 Base-Backbone interact. energy: -0.005 local terms energy: -65.100574 where: bonds (distance) C4'-P energy: -11.412 bonds (distance) P-C4' energy: -13.973 flat angles C4'-P-C4' energy: -13.450 flat angles P-C4'-P energy: -10.541 tors. eta vs tors. theta energy: -15.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -201.256174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.256174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.256174 (E_RNA) where: Base-Base interactions energy: -138.787 where: short stacking energy: -56.915 Base-Backbone interact. energy: -0.784 local terms energy: -61.685049 where: bonds (distance) C4'-P energy: -12.739 bonds (distance) P-C4' energy: -13.500 flat angles C4'-P-C4' energy: -11.284 flat angles P-C4'-P energy: -8.270 tors. eta vs tors. theta energy: -15.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -194.470316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.470316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.470316 (E_RNA) where: Base-Base interactions energy: -136.826 where: short stacking energy: -62.756 Base-Backbone interact. energy: -0.043 local terms energy: -57.600807 where: bonds (distance) C4'-P energy: -13.052 bonds (distance) P-C4' energy: -13.773 flat angles C4'-P-C4' energy: -13.459 flat angles P-C4'-P energy: -5.363 tors. eta vs tors. theta energy: -11.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -179.918439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.918439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.918439 (E_RNA) where: Base-Base interactions energy: -122.231 where: short stacking energy: -55.033 Base-Backbone interact. energy: -0.082 local terms energy: -57.605772 where: bonds (distance) C4'-P energy: -8.954 bonds (distance) P-C4' energy: -9.053 flat angles C4'-P-C4' energy: -11.826 flat angles P-C4'-P energy: -11.463 tors. eta vs tors. theta energy: -16.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -190.979879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.979879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.979879 (E_RNA) where: Base-Base interactions energy: -127.751 where: short stacking energy: -54.575 Base-Backbone interact. energy: 2.756 local terms energy: -65.985246 where: bonds (distance) C4'-P energy: -12.307 bonds (distance) P-C4' energy: -13.504 flat angles C4'-P-C4' energy: -13.345 flat angles P-C4'-P energy: -10.435 tors. eta vs tors. theta energy: -16.395 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: 6 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -188.195901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.195901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.195901 (E_RNA) where: Base-Base interactions energy: -127.509 where: short stacking energy: -49.759 Base-Backbone interact. energy: -0.030 local terms energy: -60.657602 where: bonds (distance) C4'-P energy: -12.646 bonds (distance) P-C4' energy: -11.754 flat angles C4'-P-C4' energy: -13.284 flat angles P-C4'-P energy: -8.715 tors. eta vs tors. theta energy: -14.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -186.445355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.445355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.445355 (E_RNA) where: Base-Base interactions energy: -125.452 where: short stacking energy: -62.165 Base-Backbone interact. energy: -0.008 local terms energy: -60.985208 where: bonds (distance) C4'-P energy: -8.685 bonds (distance) P-C4' energy: -12.948 flat angles C4'-P-C4' energy: -15.632 flat angles P-C4'-P energy: -6.040 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: 8, replica: 1 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -157.209048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.209048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.209048 (E_RNA) where: Base-Base interactions energy: -112.454 where: short stacking energy: -38.518 Base-Backbone interact. energy: -0.131 local terms energy: -44.624238 where: bonds (distance) C4'-P energy: -6.432 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -13.222 flat angles P-C4'-P energy: -5.204 tors. eta vs tors. theta energy: -11.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -69.098756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.098756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.098756 (E_RNA) where: Base-Base interactions energy: -19.408 where: short stacking energy: -16.631 Base-Backbone interact. energy: -0.075 local terms energy: -49.616462 where: bonds (distance) C4'-P energy: -11.683 bonds (distance) P-C4' energy: -14.224 flat angles C4'-P-C4' energy: -12.045 flat angles P-C4'-P energy: -10.985 tors. eta vs tors. theta energy: -0.680 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: 8 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -64.406916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.406916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.406916 (E_RNA) where: Base-Base interactions energy: -20.856 where: short stacking energy: -20.856 Base-Backbone interact. energy: -0.102 local terms energy: -43.448396 where: bonds (distance) C4'-P energy: -8.793 bonds (distance) P-C4' energy: -7.639 flat angles C4'-P-C4' energy: -10.681 flat angles P-C4'-P energy: -10.016 tors. eta vs tors. theta energy: -6.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -200.901495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.901495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.901495 (E_RNA) where: Base-Base interactions energy: -136.085 where: short stacking energy: -56.557 Base-Backbone interact. energy: 0.008 local terms energy: -64.823698 where: bonds (distance) C4'-P energy: -14.270 bonds (distance) P-C4' energy: -12.390 flat angles C4'-P-C4' energy: -11.799 flat angles P-C4'-P energy: -9.591 tors. eta vs tors. theta energy: -16.774 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: 2 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -204.359237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.359237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.359237 (E_RNA) where: Base-Base interactions energy: -143.209 where: short stacking energy: -65.353 Base-Backbone interact. energy: -0.000 local terms energy: -61.149936 where: bonds (distance) C4'-P energy: -10.129 bonds (distance) P-C4' energy: -13.514 flat angles C4'-P-C4' energy: -12.520 flat angles P-C4'-P energy: -9.443 tors. eta vs tors. theta energy: -15.544 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: 7 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -200.965414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.965414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.965414 (E_RNA) where: Base-Base interactions energy: -135.227 where: short stacking energy: -59.554 Base-Backbone interact. energy: -0.003 local terms energy: -65.735368 where: bonds (distance) C4'-P energy: -13.710 bonds (distance) P-C4' energy: -11.425 flat angles C4'-P-C4' energy: -14.080 flat angles P-C4'-P energy: -8.099 tors. eta vs tors. theta energy: -18.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -184.746372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.746372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.746372 (E_RNA) where: Base-Base interactions energy: -122.712 where: short stacking energy: -57.973 Base-Backbone interact. energy: -0.292 local terms energy: -61.743145 where: bonds (distance) C4'-P energy: -12.340 bonds (distance) P-C4' energy: -13.469 flat angles C4'-P-C4' energy: -12.155 flat angles P-C4'-P energy: -7.773 tors. eta vs tors. theta energy: -16.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -191.199931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.199931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.199931 (E_RNA) where: Base-Base interactions energy: -134.358 where: short stacking energy: -54.894 Base-Backbone interact. energy: -0.015 local terms energy: -56.826924 where: bonds (distance) C4'-P energy: -9.497 bonds (distance) P-C4' energy: -12.849 flat angles C4'-P-C4' energy: -13.306 flat angles P-C4'-P energy: -6.234 tors. eta vs tors. theta energy: -14.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -174.299454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.299454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.299454 (E_RNA) where: Base-Base interactions energy: -128.276 where: short stacking energy: -53.431 Base-Backbone interact. energy: -0.007 local terms energy: -46.016611 where: bonds (distance) C4'-P energy: -7.947 bonds (distance) P-C4' energy: -6.736 flat angles C4'-P-C4' energy: -12.394 flat angles P-C4'-P energy: -3.370 tors. eta vs tors. theta energy: -15.569 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: 1 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -157.417077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.417077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.417077 (E_RNA) where: Base-Base interactions energy: -108.745 where: short stacking energy: -48.025 Base-Backbone interact. energy: -0.046 local terms energy: -48.626753 where: bonds (distance) C4'-P energy: -12.299 bonds (distance) P-C4' energy: -9.489 flat angles C4'-P-C4' energy: -7.290 flat angles P-C4'-P energy: -8.515 tors. eta vs tors. theta energy: -11.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -168.652690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.652690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.652690 (E_RNA) where: Base-Base interactions energy: -115.993 where: short stacking energy: -54.175 Base-Backbone interact. energy: -0.020 local terms energy: -52.639339 where: bonds (distance) C4'-P energy: -8.925 bonds (distance) P-C4' energy: -14.280 flat angles C4'-P-C4' energy: -10.986 flat angles P-C4'-P energy: -5.466 tors. eta vs tors. theta energy: -12.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -71.260776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.260776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.260776 (E_RNA) where: Base-Base interactions energy: -24.906 where: short stacking energy: -24.906 Base-Backbone interact. energy: -0.001 local terms energy: -46.354169 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -14.635 flat angles C4'-P-C4' energy: -11.445 flat angles P-C4'-P energy: -5.984 tors. eta vs tors. theta energy: -6.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -61.756500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.756500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.756500 (E_RNA) where: Base-Base interactions energy: -26.446 where: short stacking energy: -19.795 Base-Backbone interact. energy: -0.610 local terms energy: -34.700728 where: bonds (distance) C4'-P energy: -8.132 bonds (distance) P-C4' energy: -12.724 flat angles C4'-P-C4' energy: -6.500 flat angles P-C4'-P energy: -7.724 tors. eta vs tors. theta energy: 0.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -207.815756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.815756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.815756 (E_RNA) where: Base-Base interactions energy: -141.424 where: short stacking energy: -61.901 Base-Backbone interact. energy: -0.001 local terms energy: -66.390165 where: bonds (distance) C4'-P energy: -14.431 bonds (distance) P-C4' energy: -14.206 flat angles C4'-P-C4' energy: -14.281 flat angles P-C4'-P energy: -6.980 tors. eta vs tors. theta energy: -16.493 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: 7 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -197.986834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.986834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.986834 (E_RNA) where: Base-Base interactions energy: -136.454 where: short stacking energy: -58.229 Base-Backbone interact. energy: -0.000 local terms energy: -61.532147 where: bonds (distance) C4'-P energy: -12.175 bonds (distance) P-C4' energy: -12.624 flat angles C4'-P-C4' energy: -11.567 flat angles P-C4'-P energy: -8.238 tors. eta vs tors. theta energy: -16.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -198.896955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.896955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.896955 (E_RNA) where: Base-Base interactions energy: -139.583 where: short stacking energy: -56.431 Base-Backbone interact. energy: -0.049 local terms energy: -59.265371 where: bonds (distance) C4'-P energy: -11.355 bonds (distance) P-C4' energy: -8.056 flat angles C4'-P-C4' energy: -12.979 flat angles P-C4'-P energy: -10.670 tors. eta vs tors. theta energy: -16.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -193.186040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.186040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.186040 (E_RNA) where: Base-Base interactions energy: -129.268 where: short stacking energy: -60.705 Base-Backbone interact. energy: -0.000 local terms energy: -63.917518 where: bonds (distance) C4'-P energy: -10.936 bonds (distance) P-C4' energy: -14.814 flat angles C4'-P-C4' energy: -10.900 flat angles P-C4'-P energy: -10.533 tors. eta vs tors. theta energy: -16.734 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: 9 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -168.486628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.486628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.486628 (E_RNA) where: Base-Base interactions energy: -111.216 where: short stacking energy: -42.025 Base-Backbone interact. energy: 1.155 local terms energy: -58.426426 where: bonds (distance) C4'-P energy: -14.431 bonds (distance) P-C4' energy: -15.563 flat angles C4'-P-C4' energy: -8.867 flat angles P-C4'-P energy: -10.674 tors. eta vs tors. theta energy: -8.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -183.120225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.120225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.120225 (E_RNA) where: Base-Base interactions energy: -122.192 where: short stacking energy: -50.822 Base-Backbone interact. energy: -0.021 local terms energy: -60.907216 where: bonds (distance) C4'-P energy: -11.516 bonds (distance) P-C4' energy: -12.238 flat angles C4'-P-C4' energy: -10.516 flat angles P-C4'-P energy: -10.964 tors. eta vs tors. theta energy: -15.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -182.101211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.101211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.101211 (E_RNA) where: Base-Base interactions energy: -120.887 where: short stacking energy: -45.795 Base-Backbone interact. energy: -0.003 local terms energy: -61.210436 where: bonds (distance) C4'-P energy: -13.602 bonds (distance) P-C4' energy: -10.413 flat angles C4'-P-C4' energy: -10.663 flat angles P-C4'-P energy: -10.910 tors. eta vs tors. theta energy: -15.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -180.068214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.068214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.068214 (E_RNA) where: Base-Base interactions energy: -124.808 where: short stacking energy: -47.269 Base-Backbone interact. energy: -0.004 local terms energy: -55.256922 where: bonds (distance) C4'-P energy: -10.858 bonds (distance) P-C4' energy: -8.325 flat angles C4'-P-C4' energy: -12.232 flat angles P-C4'-P energy: -8.725 tors. eta vs tors. theta energy: -15.117 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: 8 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -75.251977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.251977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.251977 (E_RNA) where: Base-Base interactions energy: -36.884 where: short stacking energy: -23.652 Base-Backbone interact. energy: -0.096 local terms energy: -38.271167 where: bonds (distance) C4'-P energy: -12.563 bonds (distance) P-C4' energy: -10.079 flat angles C4'-P-C4' energy: -8.806 flat angles P-C4'-P energy: -6.191 tors. eta vs tors. theta energy: -0.632 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: 3 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -59.098714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.098714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.098714 (E_RNA) where: Base-Base interactions energy: -16.200 where: short stacking energy: -7.378 Base-Backbone interact. energy: -0.473 local terms energy: -42.425638 where: bonds (distance) C4'-P energy: -10.990 bonds (distance) P-C4' energy: -13.408 flat angles C4'-P-C4' energy: -11.201 flat angles P-C4'-P energy: -7.241 tors. eta vs tors. theta energy: 0.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -200.196061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.196061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.196061 (E_RNA) where: Base-Base interactions energy: -142.348 where: short stacking energy: -57.342 Base-Backbone interact. energy: -0.134 local terms energy: -57.714235 where: bonds (distance) C4'-P energy: -12.468 bonds (distance) P-C4' energy: -10.025 flat angles C4'-P-C4' energy: -13.914 flat angles P-C4'-P energy: -4.295 tors. eta vs tors. theta energy: -17.012 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: 2, replica: 4 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -198.543763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.543763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.543763 (E_RNA) where: Base-Base interactions energy: -139.196 where: short stacking energy: -57.470 Base-Backbone interact. energy: -0.006 local terms energy: -59.341422 where: bonds (distance) C4'-P energy: -9.144 bonds (distance) P-C4' energy: -12.150 flat angles C4'-P-C4' energy: -12.877 flat angles P-C4'-P energy: -9.801 tors. eta vs tors. theta energy: -15.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -193.948833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.948833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.948833 (E_RNA) where: Base-Base interactions energy: -139.417 where: short stacking energy: -59.012 Base-Backbone interact. energy: -0.041 local terms energy: -54.490202 where: bonds (distance) C4'-P energy: -10.216 bonds (distance) P-C4' energy: -10.123 flat angles C4'-P-C4' energy: -13.404 flat angles P-C4'-P energy: -6.813 tors. eta vs tors. theta energy: -13.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -190.771283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.771283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.771283 (E_RNA) where: Base-Base interactions energy: -136.163 where: short stacking energy: -57.182 Base-Backbone interact. energy: 0.561 local terms energy: -55.168788 where: bonds (distance) C4'-P energy: -9.947 bonds (distance) P-C4' energy: -10.030 flat angles C4'-P-C4' energy: -13.391 flat angles P-C4'-P energy: -7.798 tors. eta vs tors. theta energy: -14.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -185.208049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.208049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.208049 (E_RNA) where: Base-Base interactions energy: -126.412 where: short stacking energy: -48.184 Base-Backbone interact. energy: -0.174 local terms energy: -58.622096 where: bonds (distance) C4'-P energy: -11.987 bonds (distance) P-C4' energy: -12.570 flat angles C4'-P-C4' energy: -10.945 flat angles P-C4'-P energy: -6.852 tors. eta vs tors. theta energy: -16.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -179.254060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.254060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.254060 (E_RNA) where: Base-Base interactions energy: -121.942 where: short stacking energy: -43.640 Base-Backbone interact. energy: -0.105 local terms energy: -57.206974 where: bonds (distance) C4'-P energy: -10.266 bonds (distance) P-C4' energy: -12.624 flat angles C4'-P-C4' energy: -13.156 flat angles P-C4'-P energy: -8.513 tors. eta vs tors. theta energy: -12.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -167.480355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.480355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.480355 (E_RNA) where: Base-Base interactions energy: -114.171 where: short stacking energy: -45.219 Base-Backbone interact. energy: -0.036 local terms energy: -53.273244 where: bonds (distance) C4'-P energy: -11.421 bonds (distance) P-C4' energy: -12.923 flat angles C4'-P-C4' energy: -9.580 flat angles P-C4'-P energy: -8.256 tors. eta vs tors. theta energy: -11.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -170.234362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.234362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.234362 (E_RNA) where: Base-Base interactions energy: -112.207 where: short stacking energy: -49.648 Base-Backbone interact. energy: -0.297 local terms energy: -57.730311 where: bonds (distance) C4'-P energy: -12.308 bonds (distance) P-C4' energy: -10.821 flat angles C4'-P-C4' energy: -12.883 flat angles P-C4'-P energy: -10.488 tors. eta vs tors. theta energy: -11.231 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: 8 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -70.359849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.359849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.359849 (E_RNA) where: Base-Base interactions energy: -35.129 where: short stacking energy: -19.170 Base-Backbone interact. energy: -0.275 local terms energy: -34.956129 where: bonds (distance) C4'-P energy: -7.166 bonds (distance) P-C4' energy: -9.812 flat angles C4'-P-C4' energy: -11.938 flat angles P-C4'-P energy: -6.455 tors. eta vs tors. theta energy: 0.415 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: 3 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -66.144688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.144688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.144688 (E_RNA) where: Base-Base interactions energy: -31.792 where: short stacking energy: -16.427 Base-Backbone interact. energy: -0.109 local terms energy: -34.244085 where: bonds (distance) C4'-P energy: -12.629 bonds (distance) P-C4' energy: -11.439 flat angles C4'-P-C4' energy: -5.858 flat angles P-C4'-P energy: -5.920 tors. eta vs tors. theta energy: 1.602 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: 7 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -204.456111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.456111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.456111 (E_RNA) where: Base-Base interactions energy: -140.445 where: short stacking energy: -59.198 Base-Backbone interact. energy: -0.001 local terms energy: -64.010138 where: bonds (distance) C4'-P energy: -10.137 bonds (distance) P-C4' energy: -12.766 flat angles C4'-P-C4' energy: -15.384 flat angles P-C4'-P energy: -9.285 tors. eta vs tors. theta energy: -16.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -186.812349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.812349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.812349 (E_RNA) where: Base-Base interactions energy: -126.190 where: short stacking energy: -45.122 Base-Backbone interact. energy: -0.157 local terms energy: -60.464943 where: bonds (distance) C4'-P energy: -13.189 bonds (distance) P-C4' energy: -13.963 flat angles C4'-P-C4' energy: -13.179 flat angles P-C4'-P energy: -7.764 tors. eta vs tors. theta energy: -12.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -198.606930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.606930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.606930 (E_RNA) where: Base-Base interactions energy: -138.132 where: short stacking energy: -57.870 Base-Backbone interact. energy: -0.001 local terms energy: -60.473596 where: bonds (distance) C4'-P energy: -11.711 bonds (distance) P-C4' energy: -12.982 flat angles C4'-P-C4' energy: -9.507 flat angles P-C4'-P energy: -8.424 tors. eta vs tors. theta energy: -17.850 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: 4, replica: 2 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -186.032233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.032233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.032233 (E_RNA) where: Base-Base interactions energy: -128.917 where: short stacking energy: -55.946 Base-Backbone interact. energy: -0.001 local terms energy: -57.114559 where: bonds (distance) C4'-P energy: -10.176 bonds (distance) P-C4' energy: -13.497 flat angles C4'-P-C4' energy: -12.431 flat angles P-C4'-P energy: -3.316 tors. eta vs tors. theta energy: -17.695 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: 6 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -182.125937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.125937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.125937 (E_RNA) where: Base-Base interactions energy: -126.216 where: short stacking energy: -55.425 Base-Backbone interact. energy: -0.009 local terms energy: -55.900562 where: bonds (distance) C4'-P energy: -9.004 bonds (distance) P-C4' energy: -12.602 flat angles C4'-P-C4' energy: -12.590 flat angles P-C4'-P energy: -8.230 tors. eta vs tors. theta energy: -13.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -188.570728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.570728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.570728 (E_RNA) where: Base-Base interactions energy: -129.089 where: short stacking energy: -53.899 Base-Backbone interact. energy: 0.797 local terms energy: -60.278792 where: bonds (distance) C4'-P energy: -10.515 bonds (distance) P-C4' energy: -12.750 flat angles C4'-P-C4' energy: -14.052 flat angles P-C4'-P energy: -8.337 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: 7, replica: 9 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -170.750241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.750241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.750241 (E_RNA) where: Base-Base interactions energy: -110.414 where: short stacking energy: -44.672 Base-Backbone interact. energy: -0.025 local terms energy: -60.311050 where: bonds (distance) C4'-P energy: -12.761 bonds (distance) P-C4' energy: -13.032 flat angles C4'-P-C4' energy: -11.736 flat angles P-C4'-P energy: -11.943 tors. eta vs tors. theta energy: -10.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -173.944895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.944895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.944895 (E_RNA) where: Base-Base interactions energy: -112.689 where: short stacking energy: -46.790 Base-Backbone interact. energy: -0.173 local terms energy: -61.083106 where: bonds (distance) C4'-P energy: -12.653 bonds (distance) P-C4' energy: -13.588 flat angles C4'-P-C4' energy: -9.817 flat angles P-C4'-P energy: -10.305 tors. eta vs tors. theta energy: -14.720 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: 8 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -74.235661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.235661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.235661 (E_RNA) where: Base-Base interactions energy: -28.599 where: short stacking energy: -28.599 Base-Backbone interact. energy: 0.279 local terms energy: -45.915265 where: bonds (distance) C4'-P energy: -10.221 bonds (distance) P-C4' energy: -10.374 flat angles C4'-P-C4' energy: -10.871 flat angles P-C4'-P energy: -7.945 tors. eta vs tors. theta energy: -6.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -61.007184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.007184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.007184 (E_RNA) where: Base-Base interactions energy: -25.401 where: short stacking energy: -16.883 Base-Backbone interact. energy: -0.119 local terms energy: -35.486874 where: bonds (distance) C4'-P energy: -10.005 bonds (distance) P-C4' energy: -10.236 flat angles C4'-P-C4' energy: -11.863 flat angles P-C4'-P energy: -2.026 tors. eta vs tors. theta energy: -1.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -207.883635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.883635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.883635 (E_RNA) where: Base-Base interactions energy: -140.793 where: short stacking energy: -60.709 Base-Backbone interact. energy: -1.050 local terms energy: -66.040483 where: bonds (distance) C4'-P energy: -12.597 bonds (distance) P-C4' energy: -14.389 flat angles C4'-P-C4' energy: -12.071 flat angles P-C4'-P energy: -10.044 tors. eta vs tors. theta energy: -16.940 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: 10 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -186.540733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.540733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.540733 (E_RNA) where: Base-Base interactions energy: -127.134 where: short stacking energy: -51.770 Base-Backbone interact. energy: -0.080 local terms energy: -59.326075 where: bonds (distance) C4'-P energy: -14.348 bonds (distance) P-C4' energy: -14.089 flat angles C4'-P-C4' energy: -9.816 flat angles P-C4'-P energy: -10.281 tors. eta vs tors. theta energy: -10.793 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: 2 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -197.118134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.118134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.118134 (E_RNA) where: Base-Base interactions energy: -133.793 where: short stacking energy: -55.737 Base-Backbone interact. energy: -1.182 local terms energy: -62.143052 where: bonds (distance) C4'-P energy: -11.666 bonds (distance) P-C4' energy: -13.159 flat angles C4'-P-C4' energy: -12.857 flat angles P-C4'-P energy: -8.215 tors. eta vs tors. theta energy: -16.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -191.326245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.326245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.326245 (E_RNA) where: Base-Base interactions energy: -134.335 where: short stacking energy: -57.232 Base-Backbone interact. energy: -0.038 local terms energy: -56.953981 where: bonds (distance) C4'-P energy: -6.954 bonds (distance) P-C4' energy: -11.475 flat angles C4'-P-C4' energy: -12.207 flat angles P-C4'-P energy: -9.516 tors. eta vs tors. theta energy: -16.802 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: 5 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -195.742969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.742969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.742969 (E_RNA) where: Base-Base interactions energy: -133.106 where: short stacking energy: -56.774 Base-Backbone interact. energy: -0.291 local terms energy: -62.346134 where: bonds (distance) C4'-P energy: -12.581 bonds (distance) P-C4' energy: -11.637 flat angles C4'-P-C4' energy: -13.060 flat angles P-C4'-P energy: -10.791 tors. eta vs tors. theta energy: -14.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -192.143772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.143772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.143772 (E_RNA) where: Base-Base interactions energy: -136.744 where: short stacking energy: -56.675 Base-Backbone interact. energy: -0.465 local terms energy: -54.934796 where: bonds (distance) C4'-P energy: -11.674 bonds (distance) P-C4' energy: -10.373 flat angles C4'-P-C4' energy: -8.351 flat angles P-C4'-P energy: -7.472 tors. eta vs tors. theta energy: -17.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -172.885168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.885168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.885168 (E_RNA) where: Base-Base interactions energy: -115.594 where: short stacking energy: -48.692 Base-Backbone interact. energy: 0.352 local terms energy: -57.643268 where: bonds (distance) C4'-P energy: -12.316 bonds (distance) P-C4' energy: -14.389 flat angles C4'-P-C4' energy: -12.256 flat angles P-C4'-P energy: -7.063 tors. eta vs tors. theta energy: -11.620 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: 8, replica: 1 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -180.082011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.082011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.082011 (E_RNA) where: Base-Base interactions energy: -122.338 where: short stacking energy: -53.620 Base-Backbone interact. energy: -0.066 local terms energy: -57.677104 where: bonds (distance) C4'-P energy: -12.502 bonds (distance) P-C4' energy: -12.458 flat angles C4'-P-C4' energy: -12.952 flat angles P-C4'-P energy: -7.991 tors. eta vs tors. theta energy: -11.775 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: 3 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -65.120187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.120187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.120187 (E_RNA) where: Base-Base interactions energy: -21.308 where: short stacking energy: -21.832 Base-Backbone interact. energy: -0.105 local terms energy: -43.707706 where: bonds (distance) C4'-P energy: -10.950 bonds (distance) P-C4' energy: -12.582 flat angles C4'-P-C4' energy: -10.157 flat angles P-C4'-P energy: -6.282 tors. eta vs tors. theta energy: -3.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -62.264487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.264487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.264487 (E_RNA) where: Base-Base interactions energy: -24.345 where: short stacking energy: -24.136 Base-Backbone interact. energy: -0.021 local terms energy: -37.898534 where: bonds (distance) C4'-P energy: -11.685 bonds (distance) P-C4' energy: -11.440 flat angles C4'-P-C4' energy: -3.232 flat angles P-C4'-P energy: -8.805 tors. eta vs tors. theta energy: -2.736 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: 7 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -203.622320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.622320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.622320 (E_RNA) where: Base-Base interactions energy: -139.037 where: short stacking energy: -58.262 Base-Backbone interact. energy: -0.865 local terms energy: -63.719921 where: bonds (distance) C4'-P energy: -11.574 bonds (distance) P-C4' energy: -12.564 flat angles C4'-P-C4' energy: -14.399 flat angles P-C4'-P energy: -9.751 tors. eta vs tors. theta energy: -15.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -203.667495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.667495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.667495 (E_RNA) where: Base-Base interactions energy: -142.638 where: short stacking energy: -60.819 Base-Backbone interact. energy: -0.000 local terms energy: -61.029087 where: bonds (distance) C4'-P energy: -14.208 bonds (distance) P-C4' energy: -11.623 flat angles C4'-P-C4' energy: -12.687 flat angles P-C4'-P energy: -7.207 tors. eta vs tors. theta energy: -15.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -196.188041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.188041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.188041 (E_RNA) where: Base-Base interactions energy: -138.226 where: short stacking energy: -59.219 Base-Backbone interact. energy: -0.000 local terms energy: -57.961854 where: bonds (distance) C4'-P energy: -9.211 bonds (distance) P-C4' energy: -10.175 flat angles C4'-P-C4' energy: -12.816 flat angles P-C4'-P energy: -8.699 tors. eta vs tors. theta energy: -17.061 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: 4, replica: 5 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -192.867959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.867959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.867959 (E_RNA) where: Base-Base interactions energy: -139.172 where: short stacking energy: -55.296 Base-Backbone interact. energy: -0.612 local terms energy: -53.084717 where: bonds (distance) C4'-P energy: -11.171 bonds (distance) P-C4' energy: -9.890 flat angles C4'-P-C4' energy: -12.714 flat angles P-C4'-P energy: -2.923 tors. eta vs tors. theta energy: -16.387 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: 4 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -192.218451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.218451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.218451 (E_RNA) where: Base-Base interactions energy: -134.399 where: short stacking energy: -54.790 Base-Backbone interact. energy: -0.374 local terms energy: -57.445642 where: bonds (distance) C4'-P energy: -10.055 bonds (distance) P-C4' energy: -12.297 flat angles C4'-P-C4' energy: -12.290 flat angles P-C4'-P energy: -5.802 tors. eta vs tors. theta energy: -17.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -191.579911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.579911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.579911 (E_RNA) where: Base-Base interactions energy: -127.904 where: short stacking energy: -51.046 Base-Backbone interact. energy: -0.104 local terms energy: -63.571855 where: bonds (distance) C4'-P energy: -13.310 bonds (distance) P-C4' energy: -13.871 flat angles C4'-P-C4' energy: -12.223 flat angles P-C4'-P energy: -8.326 tors. eta vs tors. theta energy: -15.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -174.663552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.663552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.663552 (E_RNA) where: Base-Base interactions energy: -119.884 where: short stacking energy: -49.117 Base-Backbone interact. energy: -0.051 local terms energy: -54.728752 where: bonds (distance) C4'-P energy: -11.582 bonds (distance) P-C4' energy: -10.761 flat angles C4'-P-C4' energy: -12.073 flat angles P-C4'-P energy: -8.155 tors. eta vs tors. theta energy: -12.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -176.014681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.014681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.014681 (E_RNA) where: Base-Base interactions energy: -118.817 where: short stacking energy: -48.980 Base-Backbone interact. energy: -0.071 local terms energy: -57.126564 where: bonds (distance) C4'-P energy: -11.097 bonds (distance) P-C4' energy: -12.053 flat angles C4'-P-C4' energy: -13.442 flat angles P-C4'-P energy: -9.830 tors. eta vs tors. theta energy: -10.705 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: 3 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -70.588292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.588292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.588292 (E_RNA) where: Base-Base interactions energy: -18.521 where: short stacking energy: -18.521 Base-Backbone interact. energy: 1.002 local terms energy: -53.068391 where: bonds (distance) C4'-P energy: -11.242 bonds (distance) P-C4' energy: -14.227 flat angles C4'-P-C4' energy: -11.231 flat angles P-C4'-P energy: -8.020 tors. eta vs tors. theta energy: -8.348 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: 8 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -74.972473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.972473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.972473 (E_RNA) where: Base-Base interactions energy: -29.786 where: short stacking energy: -16.909 Base-Backbone interact. energy: -0.004 local terms energy: -45.182570 where: bonds (distance) C4'-P energy: -12.315 bonds (distance) P-C4' energy: -12.857 flat angles C4'-P-C4' energy: -5.800 flat angles P-C4'-P energy: -8.452 tors. eta vs tors. theta energy: -5.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -201.926303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.926303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.926303 (E_RNA) where: Base-Base interactions energy: -141.337 where: short stacking energy: -55.926 Base-Backbone interact. energy: -0.001 local terms energy: -60.588719 where: bonds (distance) C4'-P energy: -11.542 bonds (distance) P-C4' energy: -11.051 flat angles C4'-P-C4' energy: -12.857 flat angles P-C4'-P energy: -8.400 tors. eta vs tors. theta energy: -16.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -199.701299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.701299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.701299 (E_RNA) where: Base-Base interactions energy: -146.119 where: short stacking energy: -60.864 Base-Backbone interact. energy: -0.239 local terms energy: -53.342379 where: bonds (distance) C4'-P energy: -7.956 bonds (distance) P-C4' energy: -10.058 flat angles C4'-P-C4' energy: -12.303 flat angles P-C4'-P energy: -9.842 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: 3, replica: 5 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -198.318241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.318241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.318241 (E_RNA) where: Base-Base interactions energy: -132.721 where: short stacking energy: -55.697 Base-Backbone interact. energy: -0.002 local terms energy: -65.595418 where: bonds (distance) C4'-P energy: -12.688 bonds (distance) P-C4' energy: -12.323 flat angles C4'-P-C4' energy: -14.009 flat angles P-C4'-P energy: -8.862 tors. eta vs tors. theta energy: -17.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -194.777345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.777345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.777345 (E_RNA) where: Base-Base interactions energy: -133.474 where: short stacking energy: -59.328 Base-Backbone interact. energy: -0.002 local terms energy: -61.301175 where: bonds (distance) C4'-P energy: -12.154 bonds (distance) P-C4' energy: -11.066 flat angles C4'-P-C4' energy: -11.781 flat angles P-C4'-P energy: -9.997 tors. eta vs tors. theta energy: -16.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -191.076274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.076274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.076274 (E_RNA) where: Base-Base interactions energy: -129.688 where: short stacking energy: -53.848 Base-Backbone interact. energy: -0.016 local terms energy: -61.371583 where: bonds (distance) C4'-P energy: -10.211 bonds (distance) P-C4' energy: -14.410 flat angles C4'-P-C4' energy: -10.887 flat angles P-C4'-P energy: -11.833 tors. eta vs tors. theta energy: -14.030 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: 4 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -185.119907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.119907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.119907 (E_RNA) where: Base-Base interactions energy: -130.183 where: short stacking energy: -52.102 Base-Backbone interact. energy: -0.005 local terms energy: -54.932118 where: bonds (distance) C4'-P energy: -12.547 bonds (distance) P-C4' energy: -11.836 flat angles C4'-P-C4' energy: -13.203 flat angles P-C4'-P energy: -6.058 tors. eta vs tors. theta energy: -11.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -175.802647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.802647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.802647 (E_RNA) where: Base-Base interactions energy: -123.064 where: short stacking energy: -56.247 Base-Backbone interact. energy: 0.501 local terms energy: -53.239700 where: bonds (distance) C4'-P energy: -9.160 bonds (distance) P-C4' energy: -8.809 flat angles C4'-P-C4' energy: -10.317 flat angles P-C4'-P energy: -9.505 tors. eta vs tors. theta energy: -15.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -172.473150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.473150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.473150 (E_RNA) where: Base-Base interactions energy: -115.218 where: short stacking energy: -44.044 Base-Backbone interact. energy: -0.201 local terms energy: -57.053569 where: bonds (distance) C4'-P energy: -10.283 bonds (distance) P-C4' energy: -12.340 flat angles C4'-P-C4' energy: -12.450 flat angles P-C4'-P energy: -9.631 tors. eta vs tors. theta energy: -12.350 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: 3 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -80.080648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.080648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.080648 (E_RNA) where: Base-Base interactions energy: -29.000 where: short stacking energy: -24.936 Base-Backbone interact. energy: -0.057 local terms energy: -51.023618 where: bonds (distance) C4'-P energy: -7.500 bonds (distance) P-C4' energy: -15.376 flat angles C4'-P-C4' energy: -11.684 flat angles P-C4'-P energy: -10.647 tors. eta vs tors. theta energy: -5.816 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: 10, replica: 8 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -60.052592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.052592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.052592 (E_RNA) where: Base-Base interactions energy: -28.797 where: short stacking energy: -22.144 Base-Backbone interact. energy: 0.905 local terms energy: -32.160330 where: bonds (distance) C4'-P energy: -5.650 bonds (distance) P-C4' energy: -12.761 flat angles C4'-P-C4' energy: -11.382 flat angles P-C4'-P energy: -5.693 tors. eta vs tors. theta energy: 3.326 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: 1, replica: 2 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -197.610995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.610995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.610995 (E_RNA) where: Base-Base interactions energy: -135.222 where: short stacking energy: -59.989 Base-Backbone interact. energy: 0.249 local terms energy: -62.638027 where: bonds (distance) C4'-P energy: -9.683 bonds (distance) P-C4' energy: -11.916 flat angles C4'-P-C4' energy: -14.655 flat angles P-C4'-P energy: -11.295 tors. eta vs tors. theta energy: -15.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -198.991867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.991867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.991867 (E_RNA) where: Base-Base interactions energy: -141.744 where: short stacking energy: -62.532 Base-Backbone interact. energy: -0.004 local terms energy: -57.243434 where: bonds (distance) C4'-P energy: -9.016 bonds (distance) P-C4' energy: -11.877 flat angles C4'-P-C4' energy: -10.857 flat angles P-C4'-P energy: -8.993 tors. eta vs tors. theta energy: -16.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -200.329155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.329155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.329155 (E_RNA) where: Base-Base interactions energy: -140.370 where: short stacking energy: -58.263 Base-Backbone interact. energy: -0.001 local terms energy: -59.958117 where: bonds (distance) C4'-P energy: -11.135 bonds (distance) P-C4' energy: -10.091 flat angles C4'-P-C4' energy: -14.244 flat angles P-C4'-P energy: -8.829 tors. eta vs tors. theta energy: -15.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -194.832270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.832270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.832270 (E_RNA) where: Base-Base interactions energy: -136.362 where: short stacking energy: -59.347 Base-Backbone interact. energy: -0.291 local terms energy: -58.180177 where: bonds (distance) C4'-P energy: -12.216 bonds (distance) P-C4' energy: -9.417 flat angles C4'-P-C4' energy: -12.977 flat angles P-C4'-P energy: -8.551 tors. eta vs tors. theta energy: -15.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -186.094406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.094406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.094406 (E_RNA) where: Base-Base interactions energy: -125.044 where: short stacking energy: -52.010 Base-Backbone interact. energy: -0.004 local terms energy: -61.046750 where: bonds (distance) C4'-P energy: -11.864 bonds (distance) P-C4' energy: -13.046 flat angles C4'-P-C4' energy: -12.853 flat angles P-C4'-P energy: -7.457 tors. eta vs tors. theta energy: -15.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -182.361717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.361717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.361717 (E_RNA) where: Base-Base interactions energy: -118.156 where: short stacking energy: -48.927 Base-Backbone interact. energy: -0.244 local terms energy: -63.962465 where: bonds (distance) C4'-P energy: -12.807 bonds (distance) P-C4' energy: -12.327 flat angles C4'-P-C4' energy: -10.686 flat angles P-C4'-P energy: -10.812 tors. eta vs tors. theta energy: -17.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -169.293451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.293451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.293451 (E_RNA) where: Base-Base interactions energy: -120.478 where: short stacking energy: -46.687 Base-Backbone interact. energy: -0.008 local terms energy: -48.807779 where: bonds (distance) C4'-P energy: -6.544 bonds (distance) P-C4' energy: -11.905 flat angles C4'-P-C4' energy: -10.299 flat angles P-C4'-P energy: -6.929 tors. eta vs tors. theta energy: -13.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -168.297021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.297021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.297021 (E_RNA) where: Base-Base interactions energy: -116.711 where: short stacking energy: -51.341 Base-Backbone interact. energy: -0.061 local terms energy: -51.524992 where: bonds (distance) C4'-P energy: -11.296 bonds (distance) P-C4' energy: -11.063 flat angles C4'-P-C4' energy: -7.906 flat angles P-C4'-P energy: -8.549 tors. eta vs tors. theta energy: -12.711 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: 9, replica: 3 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -65.330238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.330238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.330238 (E_RNA) where: Base-Base interactions energy: -20.977 where: short stacking energy: -20.977 Base-Backbone interact. energy: -0.013 local terms energy: -44.340463 where: bonds (distance) C4'-P energy: -10.427 bonds (distance) P-C4' energy: -13.766 flat angles C4'-P-C4' energy: -9.088 flat angles P-C4'-P energy: -9.598 tors. eta vs tors. theta energy: -1.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -58.614808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.614808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.614808 (E_RNA) where: Base-Base interactions energy: -17.745 where: short stacking energy: -17.745 Base-Backbone interact. energy: -0.022 local terms energy: -40.847803 where: bonds (distance) C4'-P energy: -6.104 bonds (distance) P-C4' energy: -12.398 flat angles C4'-P-C4' energy: -10.841 flat angles P-C4'-P energy: -10.212 tors. eta vs tors. theta energy: -1.292 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: 5 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -203.580116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.580116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.580116 (E_RNA) where: Base-Base interactions energy: -136.753 where: short stacking energy: -55.107 Base-Backbone interact. energy: -0.005 local terms energy: -66.822359 where: bonds (distance) C4'-P energy: -14.083 bonds (distance) P-C4' energy: -11.745 flat angles C4'-P-C4' energy: -13.692 flat angles P-C4'-P energy: -11.144 tors. eta vs tors. theta energy: -16.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -204.518301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.518301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.518301 (E_RNA) where: Base-Base interactions energy: -137.561 where: short stacking energy: -56.903 Base-Backbone interact. energy: -0.000 local terms energy: -66.957386 where: bonds (distance) C4'-P energy: -14.269 bonds (distance) P-C4' energy: -11.533 flat angles C4'-P-C4' energy: -13.607 flat angles P-C4'-P energy: -10.851 tors. eta vs tors. theta energy: -16.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -197.760022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.760022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.760022 (E_RNA) where: Base-Base interactions energy: -132.892 where: short stacking energy: -54.180 Base-Backbone interact. energy: -0.001 local terms energy: -64.866250 where: bonds (distance) C4'-P energy: -12.940 bonds (distance) P-C4' energy: -13.213 flat angles C4'-P-C4' energy: -13.254 flat angles P-C4'-P energy: -7.263 tors. eta vs tors. theta energy: -18.197 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: 10 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -196.022522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.022522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.022522 (E_RNA) where: Base-Base interactions energy: -141.550 where: short stacking energy: -59.146 Base-Backbone interact. energy: -0.003 local terms energy: -54.469551 where: bonds (distance) C4'-P energy: -6.573 bonds (distance) P-C4' energy: -9.804 flat angles C4'-P-C4' energy: -12.600 flat angles P-C4'-P energy: -8.713 tors. eta vs tors. theta energy: -16.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -186.351653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.351653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.351653 (E_RNA) where: Base-Base interactions energy: -126.607 where: short stacking energy: -52.486 Base-Backbone interact. energy: -0.004 local terms energy: -59.740603 where: bonds (distance) C4'-P energy: -13.300 bonds (distance) P-C4' energy: -11.912 flat angles C4'-P-C4' energy: -10.366 flat angles P-C4'-P energy: -8.262 tors. eta vs tors. theta energy: -15.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -170.830268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.830268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.830268 (E_RNA) where: Base-Base interactions energy: -123.561 where: short stacking energy: -47.910 Base-Backbone interact. energy: -1.449 local terms energy: -45.820039 where: bonds (distance) C4'-P energy: -9.774 bonds (distance) P-C4' energy: -12.508 flat angles C4'-P-C4' energy: -9.413 flat angles P-C4'-P energy: -2.861 tors. eta vs tors. theta energy: -11.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -183.240089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.240089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.240089 (E_RNA) where: Base-Base interactions energy: -129.216 where: short stacking energy: -55.229 Base-Backbone interact. energy: -0.108 local terms energy: -53.916400 where: bonds (distance) C4'-P energy: -11.819 bonds (distance) P-C4' energy: -11.703 flat angles C4'-P-C4' energy: -10.766 flat angles P-C4'-P energy: -6.106 tors. eta vs tors. theta energy: -13.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -176.191717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.191717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.191717 (E_RNA) where: Base-Base interactions energy: -118.005 where: short stacking energy: -48.881 Base-Backbone interact. energy: -0.440 local terms energy: -57.747375 where: bonds (distance) C4'-P energy: -13.458 bonds (distance) P-C4' energy: -12.070 flat angles C4'-P-C4' energy: -14.239 flat angles P-C4'-P energy: -4.507 tors. eta vs tors. theta energy: -13.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -63.851999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.851999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.851999 (E_RNA) where: Base-Base interactions energy: -21.162 where: short stacking energy: -15.608 Base-Backbone interact. energy: -0.013 local terms energy: -42.677026 where: bonds (distance) C4'-P energy: -12.795 bonds (distance) P-C4' energy: -11.810 flat angles C4'-P-C4' energy: -10.466 flat angles P-C4'-P energy: -3.984 tors. eta vs tors. theta energy: -3.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -71.354838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.354838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.354838 (E_RNA) where: Base-Base interactions energy: -28.156 where: short stacking energy: -28.156 Base-Backbone interact. energy: -0.187 local terms energy: -43.012267 where: bonds (distance) C4'-P energy: -9.670 bonds (distance) P-C4' energy: -10.048 flat angles C4'-P-C4' energy: -11.319 flat angles P-C4'-P energy: -7.468 tors. eta vs tors. theta energy: -4.507 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: 1, replica: 5 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -202.794120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.794120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.794120 (E_RNA) where: Base-Base interactions energy: -142.690 where: short stacking energy: -59.940 Base-Backbone interact. energy: -0.001 local terms energy: -60.103501 where: bonds (distance) C4'-P energy: -10.698 bonds (distance) P-C4' energy: -11.283 flat angles C4'-P-C4' energy: -12.842 flat angles P-C4'-P energy: -8.402 tors. eta vs tors. theta energy: -16.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -199.915273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.915273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.915273 (E_RNA) where: Base-Base interactions energy: -137.625 where: short stacking energy: -60.933 Base-Backbone interact. energy: 0.253 local terms energy: -62.543459 where: bonds (distance) C4'-P energy: -8.816 bonds (distance) P-C4' energy: -15.355 flat angles C4'-P-C4' energy: -11.991 flat angles P-C4'-P energy: -9.983 tors. eta vs tors. theta energy: -16.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -198.264267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.264267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.264267 (E_RNA) where: Base-Base interactions energy: -137.211 where: short stacking energy: -56.704 Base-Backbone interact. energy: -0.051 local terms energy: -61.002537 where: bonds (distance) C4'-P energy: -12.713 bonds (distance) P-C4' energy: -14.321 flat angles C4'-P-C4' energy: -12.220 flat angles P-C4'-P energy: -4.101 tors. eta vs tors. theta energy: -17.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -188.899292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.899292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.899292 (E_RNA) where: Base-Base interactions energy: -131.577 where: short stacking energy: -59.296 Base-Backbone interact. energy: -0.002 local terms energy: -57.320818 where: bonds (distance) C4'-P energy: -11.160 bonds (distance) P-C4' energy: -10.954 flat angles C4'-P-C4' energy: -11.608 flat angles P-C4'-P energy: -8.087 tors. eta vs tors. theta energy: -15.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -182.585246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.585246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.585246 (E_RNA) where: Base-Base interactions energy: -126.657 where: short stacking energy: -52.594 Base-Backbone interact. energy: -0.001 local terms energy: -55.927642 where: bonds (distance) C4'-P energy: -5.968 bonds (distance) P-C4' energy: -9.861 flat angles C4'-P-C4' energy: -12.052 flat angles P-C4'-P energy: -10.376 tors. eta vs tors. theta energy: -17.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -170.648836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.648836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.648836 (E_RNA) where: Base-Base interactions energy: -116.475 where: short stacking energy: -51.007 Base-Backbone interact. energy: -0.064 local terms energy: -54.110152 where: bonds (distance) C4'-P energy: -14.091 bonds (distance) P-C4' energy: -12.441 flat angles C4'-P-C4' energy: -9.263 flat angles P-C4'-P energy: -6.939 tors. eta vs tors. theta energy: -11.375 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: 6 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -170.906107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.906107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.906107 (E_RNA) where: Base-Base interactions energy: -124.655 where: short stacking energy: -48.062 Base-Backbone interact. energy: -0.197 local terms energy: -46.054006 where: bonds (distance) C4'-P energy: -8.647 bonds (distance) P-C4' energy: -13.451 flat angles C4'-P-C4' energy: -8.187 flat angles P-C4'-P energy: -4.142 tors. eta vs tors. theta energy: -11.627 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: 8, replica: 4 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -162.698386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.698386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.698386 (E_RNA) where: Base-Base interactions energy: -110.464 where: short stacking energy: -45.705 Base-Backbone interact. energy: -0.220 local terms energy: -52.014118 where: bonds (distance) C4'-P energy: -12.894 bonds (distance) P-C4' energy: -10.380 flat angles C4'-P-C4' energy: -13.961 flat angles P-C4'-P energy: -3.378 tors. eta vs tors. theta energy: -11.402 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: 8 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -80.382526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.382526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.382526 (E_RNA) where: Base-Base interactions energy: -40.755 where: short stacking energy: -13.618 Base-Backbone interact. energy: -0.329 local terms energy: -39.297666 where: bonds (distance) C4'-P energy: -10.391 bonds (distance) P-C4' energy: -13.110 flat angles C4'-P-C4' energy: -12.181 flat angles P-C4'-P energy: -4.571 tors. eta vs tors. theta energy: 0.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -64.859263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.859263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.859263 (E_RNA) where: Base-Base interactions energy: -27.586 where: short stacking energy: -24.953 Base-Backbone interact. energy: -0.188 local terms energy: -37.085675 where: bonds (distance) C4'-P energy: -10.486 bonds (distance) P-C4' energy: -9.619 flat angles C4'-P-C4' energy: -12.170 flat angles P-C4'-P energy: -2.468 tors. eta vs tors. theta energy: -2.343 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: 1, replica: 7 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -206.067003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.067003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.067003 (E_RNA) where: Base-Base interactions energy: -140.877 where: short stacking energy: -59.137 Base-Backbone interact. energy: -0.001 local terms energy: -65.188630 where: bonds (distance) C4'-P energy: -14.111 bonds (distance) P-C4' energy: -11.985 flat angles C4'-P-C4' energy: -11.498 flat angles P-C4'-P energy: -10.537 tors. eta vs tors. theta energy: -17.057 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: 356 Temperature: 0.950000 Total energy: -197.240897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.240897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.240897 (E_RNA) where: Base-Base interactions energy: -136.495 where: short stacking energy: -60.246 Base-Backbone interact. energy: -0.000 local terms energy: -60.745501 where: bonds (distance) C4'-P energy: -14.394 bonds (distance) P-C4' energy: -13.634 flat angles C4'-P-C4' energy: -12.680 flat angles P-C4'-P energy: -4.890 tors. eta vs tors. theta energy: -15.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -201.607424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.607424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.607424 (E_RNA) where: Base-Base interactions energy: -138.574 where: short stacking energy: -59.628 Base-Backbone interact. energy: 0.011 local terms energy: -63.044752 where: bonds (distance) C4'-P energy: -12.668 bonds (distance) P-C4' energy: -14.632 flat angles C4'-P-C4' energy: -11.737 flat angles P-C4'-P energy: -8.780 tors. eta vs tors. theta energy: -15.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -187.401274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.401274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.401274 (E_RNA) where: Base-Base interactions energy: -132.505 where: short stacking energy: -59.398 Base-Backbone interact. energy: -0.004 local terms energy: -54.891478 where: bonds (distance) C4'-P energy: -10.756 bonds (distance) P-C4' energy: -12.414 flat angles C4'-P-C4' energy: -10.287 flat angles P-C4'-P energy: -4.919 tors. eta vs tors. theta energy: -16.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -187.049918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.049918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.049918 (E_RNA) where: Base-Base interactions energy: -128.734 where: short stacking energy: -55.882 Base-Backbone interact. energy: -0.996 local terms energy: -57.319801 where: bonds (distance) C4'-P energy: -12.771 bonds (distance) P-C4' energy: -10.338 flat angles C4'-P-C4' energy: -12.253 flat angles P-C4'-P energy: -6.609 tors. eta vs tors. theta energy: -15.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -187.048245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.048245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.048245 (E_RNA) where: Base-Base interactions energy: -130.404 where: short stacking energy: -55.696 Base-Backbone interact. energy: -0.000 local terms energy: -56.643509 where: bonds (distance) C4'-P energy: -10.654 bonds (distance) P-C4' energy: -10.969 flat angles C4'-P-C4' energy: -11.640 flat angles P-C4'-P energy: -9.246 tors. eta vs tors. theta energy: -14.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -184.706205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.706205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.706205 (E_RNA) where: Base-Base interactions energy: -132.564 where: short stacking energy: -53.643 Base-Backbone interact. energy: -0.590 local terms energy: -51.552303 where: bonds (distance) C4'-P energy: -5.036 bonds (distance) P-C4' energy: -13.846 flat angles C4'-P-C4' energy: -14.177 flat angles P-C4'-P energy: -4.657 tors. eta vs tors. theta energy: -13.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -168.273518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.273518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.273518 (E_RNA) where: Base-Base interactions energy: -116.904 where: short stacking energy: -47.251 Base-Backbone interact. energy: -0.000 local terms energy: -51.369340 where: bonds (distance) C4'-P energy: -11.678 bonds (distance) P-C4' energy: -9.464 flat angles C4'-P-C4' energy: -11.007 flat angles P-C4'-P energy: -7.275 tors. eta vs tors. theta energy: -11.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -69.598780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.598780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.598780 (E_RNA) where: Base-Base interactions energy: -30.122 where: short stacking energy: -24.518 Base-Backbone interact. energy: -0.156 local terms energy: -39.320876 where: bonds (distance) C4'-P energy: -11.097 bonds (distance) P-C4' energy: -7.470 flat angles C4'-P-C4' energy: -6.844 flat angles P-C4'-P energy: -7.637 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: 8 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -71.359633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.359633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.359633 (E_RNA) where: Base-Base interactions energy: -38.554 where: short stacking energy: -11.551 Base-Backbone interact. energy: -0.122 local terms energy: -32.683881 where: bonds (distance) C4'-P energy: -10.217 bonds (distance) P-C4' energy: -8.452 flat angles C4'-P-C4' energy: -10.125 flat angles P-C4'-P energy: -5.885 tors. eta vs tors. theta energy: 1.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -201.709349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.709349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.709349 (E_RNA) where: Base-Base interactions energy: -143.319 where: short stacking energy: -60.138 Base-Backbone interact. energy: -0.000 local terms energy: -58.389724 where: bonds (distance) C4'-P energy: -11.492 bonds (distance) P-C4' energy: -12.648 flat angles C4'-P-C4' energy: -13.192 flat angles P-C4'-P energy: -6.001 tors. eta vs tors. theta energy: -15.058 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: 2, replica: 5 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -200.369300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.369300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.369300 (E_RNA) where: Base-Base interactions energy: -137.526 where: short stacking energy: -56.995 Base-Backbone interact. energy: -0.001 local terms energy: -62.841696 where: bonds (distance) C4'-P energy: -10.523 bonds (distance) P-C4' energy: -13.948 flat angles C4'-P-C4' energy: -13.304 flat angles P-C4'-P energy: -9.603 tors. eta vs tors. theta energy: -15.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -194.065546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.065546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.065546 (E_RNA) where: Base-Base interactions energy: -135.280 where: short stacking energy: -55.976 Base-Backbone interact. energy: -0.017 local terms energy: -58.768155 where: bonds (distance) C4'-P energy: -10.763 bonds (distance) P-C4' energy: -13.445 flat angles C4'-P-C4' energy: -12.431 flat angles P-C4'-P energy: -5.601 tors. eta vs tors. theta energy: -16.528 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: 357 Temperature: 1.050000 Total energy: -193.715649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.715649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.715649 (E_RNA) where: Base-Base interactions energy: -135.063 where: short stacking energy: -55.763 Base-Backbone interact. energy: -0.396 local terms energy: -58.256286 where: bonds (distance) C4'-P energy: -11.600 bonds (distance) P-C4' energy: -13.324 flat angles C4'-P-C4' energy: -10.222 flat angles P-C4'-P energy: -5.850 tors. eta vs tors. theta energy: -17.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -184.628220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.628220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.628220 (E_RNA) where: Base-Base interactions energy: -126.436 where: short stacking energy: -49.246 Base-Backbone interact. energy: -0.185 local terms energy: -58.007752 where: bonds (distance) C4'-P energy: -11.731 bonds (distance) P-C4' energy: -13.141 flat angles C4'-P-C4' energy: -14.115 flat angles P-C4'-P energy: -8.139 tors. eta vs tors. theta energy: -10.881 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: 6 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -174.591459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.591459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.591459 (E_RNA) where: Base-Base interactions energy: -119.271 where: short stacking energy: -52.120 Base-Backbone interact. energy: -0.003 local terms energy: -55.318116 where: bonds (distance) C4'-P energy: -12.141 bonds (distance) P-C4' energy: -13.454 flat angles C4'-P-C4' energy: -9.414 flat angles P-C4'-P energy: -5.943 tors. eta vs tors. theta energy: -14.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -173.235473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.235473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.235473 (E_RNA) where: Base-Base interactions energy: -119.615 where: short stacking energy: -52.159 Base-Backbone interact. energy: -0.007 local terms energy: -53.613530 where: bonds (distance) C4'-P energy: -8.891 bonds (distance) P-C4' energy: -12.092 flat angles C4'-P-C4' energy: -10.442 flat angles P-C4'-P energy: -8.567 tors. eta vs tors. theta energy: -13.622 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: 4 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -169.639386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.639386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.639386 (E_RNA) where: Base-Base interactions energy: -118.084 where: short stacking energy: -34.701 Base-Backbone interact. energy: -0.009 local terms energy: -51.546131 where: bonds (distance) C4'-P energy: -9.624 bonds (distance) P-C4' energy: -11.168 flat angles C4'-P-C4' energy: -11.741 flat angles P-C4'-P energy: -7.676 tors. eta vs tors. theta energy: -11.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -68.025675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.025675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.025675 (E_RNA) where: Base-Base interactions energy: -23.821 where: short stacking energy: -23.821 Base-Backbone interact. energy: -0.155 local terms energy: -44.050052 where: bonds (distance) C4'-P energy: -9.369 bonds (distance) P-C4' energy: -14.618 flat angles C4'-P-C4' energy: -11.374 flat angles P-C4'-P energy: -4.523 tors. eta vs tors. theta energy: -4.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -57.218056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.218056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.218056 (E_RNA) where: Base-Base interactions energy: -23.150 where: short stacking energy: -5.044 Base-Backbone interact. energy: -1.641 local terms energy: -32.427381 where: bonds (distance) C4'-P energy: -11.196 bonds (distance) P-C4' energy: -10.292 flat angles C4'-P-C4' energy: -7.812 flat angles P-C4'-P energy: -8.324 tors. eta vs tors. theta energy: 5.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -202.694094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.694094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.694094 (E_RNA) where: Base-Base interactions energy: -136.554 where: short stacking energy: -53.067 Base-Backbone interact. energy: -0.232 local terms energy: -65.907404 where: bonds (distance) C4'-P energy: -12.302 bonds (distance) P-C4' energy: -12.535 flat angles C4'-P-C4' energy: -12.981 flat angles P-C4'-P energy: -9.812 tors. eta vs tors. theta energy: -18.276 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: 5 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -200.119233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.119233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.119233 (E_RNA) where: Base-Base interactions energy: -138.307 where: short stacking energy: -55.770 Base-Backbone interact. energy: -0.061 local terms energy: -61.751192 where: bonds (distance) C4'-P energy: -13.906 bonds (distance) P-C4' energy: -13.110 flat angles C4'-P-C4' energy: -9.889 flat angles P-C4'-P energy: -8.409 tors. eta vs tors. theta energy: -16.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -198.743180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.743180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.743180 (E_RNA) where: Base-Base interactions energy: -132.868 where: short stacking energy: -55.211 Base-Backbone interact. energy: -0.271 local terms energy: -65.603943 where: bonds (distance) C4'-P energy: -14.261 bonds (distance) P-C4' energy: -12.147 flat angles C4'-P-C4' energy: -13.258 flat angles P-C4'-P energy: -9.329 tors. eta vs tors. theta energy: -16.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -196.741519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.741519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.741519 (E_RNA) where: Base-Base interactions energy: -136.736 where: short stacking energy: -56.045 Base-Backbone interact. energy: -0.002 local terms energy: -60.003205 where: bonds (distance) C4'-P energy: -9.496 bonds (distance) P-C4' energy: -13.100 flat angles C4'-P-C4' energy: -14.626 flat angles P-C4'-P energy: -7.898 tors. eta vs tors. theta energy: -14.884 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: 5, replica: 6 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -187.734375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.734375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.734375 (E_RNA) where: Base-Base interactions energy: -124.418 where: short stacking energy: -51.624 Base-Backbone interact. energy: -0.000 local terms energy: -63.316319 where: bonds (distance) C4'-P energy: -13.160 bonds (distance) P-C4' energy: -12.039 flat angles C4'-P-C4' energy: -11.367 flat angles P-C4'-P energy: -10.354 tors. eta vs tors. theta energy: -16.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -186.366991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.366991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.366991 (E_RNA) where: Base-Base interactions energy: -132.626 where: short stacking energy: -53.786 Base-Backbone interact. energy: -0.000 local terms energy: -53.740638 where: bonds (distance) C4'-P energy: -12.008 bonds (distance) P-C4' energy: -13.765 flat angles C4'-P-C4' energy: -11.549 flat angles P-C4'-P energy: -2.371 tors. eta vs tors. theta energy: -14.047 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: 4 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -178.263878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.263878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.263878 (E_RNA) where: Base-Base interactions energy: -131.531 where: short stacking energy: -44.869 Base-Backbone interact. energy: 0.001 local terms energy: -46.733608 where: bonds (distance) C4'-P energy: -5.219 bonds (distance) P-C4' energy: -12.066 flat angles C4'-P-C4' energy: -13.817 flat angles P-C4'-P energy: -6.155 tors. eta vs tors. theta energy: -9.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -168.228058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.228058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.228058 (E_RNA) where: Base-Base interactions energy: -115.006 where: short stacking energy: -43.381 Base-Backbone interact. energy: -0.125 local terms energy: -53.096517 where: bonds (distance) C4'-P energy: -9.919 bonds (distance) P-C4' energy: -11.951 flat angles C4'-P-C4' energy: -8.052 flat angles P-C4'-P energy: -10.194 tors. eta vs tors. theta energy: -12.980 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: 8 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -65.193920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.193920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.193920 (E_RNA) where: Base-Base interactions energy: -28.433 where: short stacking energy: -23.296 Base-Backbone interact. energy: -0.091 local terms energy: -36.670602 where: bonds (distance) C4'-P energy: -12.501 bonds (distance) P-C4' energy: -8.048 flat angles C4'-P-C4' energy: -11.460 flat angles P-C4'-P energy: -6.184 tors. eta vs tors. theta energy: 1.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -62.647127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.647127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.647127 (E_RNA) where: Base-Base interactions energy: -23.921 where: short stacking energy: -24.031 Base-Backbone interact. energy: -0.174 local terms energy: -38.551948 where: bonds (distance) C4'-P energy: -8.959 bonds (distance) P-C4' energy: -12.744 flat angles C4'-P-C4' energy: -10.263 flat angles P-C4'-P energy: -4.239 tors. eta vs tors. theta energy: -2.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -203.063652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.063652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.063652 (E_RNA) where: Base-Base interactions energy: -140.385 where: short stacking energy: -59.166 Base-Backbone interact. energy: -0.001 local terms energy: -62.678344 where: bonds (distance) C4'-P energy: -13.640 bonds (distance) P-C4' energy: -11.257 flat angles C4'-P-C4' energy: -13.516 flat angles P-C4'-P energy: -8.036 tors. eta vs tors. theta energy: -16.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -199.499273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.499273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.499273 (E_RNA) where: Base-Base interactions energy: -137.737 where: short stacking energy: -56.821 Base-Backbone interact. energy: -0.000 local terms energy: -61.762503 where: bonds (distance) C4'-P energy: -9.433 bonds (distance) P-C4' energy: -14.424 flat angles C4'-P-C4' energy: -12.401 flat angles P-C4'-P energy: -10.088 tors. eta vs tors. theta energy: -15.416 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: 5 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -195.799609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.799609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.799609 (E_RNA) where: Base-Base interactions energy: -135.467 where: short stacking energy: -59.037 Base-Backbone interact. energy: -0.088 local terms energy: -60.245273 where: bonds (distance) C4'-P energy: -11.305 bonds (distance) P-C4' energy: -11.580 flat angles C4'-P-C4' energy: -13.431 flat angles P-C4'-P energy: -5.428 tors. eta vs tors. theta energy: -18.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -191.157834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.157834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.157834 (E_RNA) where: Base-Base interactions energy: -128.866 where: short stacking energy: -53.176 Base-Backbone interact. energy: -0.073 local terms energy: -62.219278 where: bonds (distance) C4'-P energy: -12.270 bonds (distance) P-C4' energy: -11.260 flat angles C4'-P-C4' energy: -12.339 flat angles P-C4'-P energy: -11.863 tors. eta vs tors. theta energy: -14.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -183.125003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.125003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.125003 (E_RNA) where: Base-Base interactions energy: -122.224 where: short stacking energy: -49.295 Base-Backbone interact. energy: -0.044 local terms energy: -60.857422 where: bonds (distance) C4'-P energy: -12.956 bonds (distance) P-C4' energy: -10.960 flat angles C4'-P-C4' energy: -12.704 flat angles P-C4'-P energy: -11.727 tors. eta vs tors. theta energy: -12.511 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: 4 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -180.137750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.137750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.137750 (E_RNA) where: Base-Base interactions energy: -119.110 where: short stacking energy: -52.578 Base-Backbone interact. energy: -1.192 local terms energy: -59.835147 where: bonds (distance) C4'-P energy: -11.960 bonds (distance) P-C4' energy: -12.634 flat angles C4'-P-C4' energy: -15.369 flat angles P-C4'-P energy: -6.516 tors. eta vs tors. theta energy: -13.356 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: 1 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -164.780661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.780661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.780661 (E_RNA) where: Base-Base interactions energy: -108.227 where: short stacking energy: -47.395 Base-Backbone interact. energy: -0.008 local terms energy: -56.545465 where: bonds (distance) C4'-P energy: -9.256 bonds (distance) P-C4' energy: -13.346 flat angles C4'-P-C4' energy: -12.404 flat angles P-C4'-P energy: -11.006 tors. eta vs tors. theta energy: -10.534 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: 10 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -173.620204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.620204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.620204 (E_RNA) where: Base-Base interactions energy: -121.508 where: short stacking energy: -47.873 Base-Backbone interact. energy: -0.000 local terms energy: -52.111459 where: bonds (distance) C4'-P energy: -8.447 bonds (distance) P-C4' energy: -9.875 flat angles C4'-P-C4' energy: -10.112 flat angles P-C4'-P energy: -8.890 tors. eta vs tors. theta energy: -14.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -73.520977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.520977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.520977 (E_RNA) where: Base-Base interactions energy: -29.997 where: short stacking energy: -23.475 Base-Backbone interact. energy: 0.949 local terms energy: -44.472046 where: bonds (distance) C4'-P energy: -12.078 bonds (distance) P-C4' energy: -10.208 flat angles C4'-P-C4' energy: -10.429 flat angles P-C4'-P energy: -6.713 tors. eta vs tors. theta energy: -5.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -55.926339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.926339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.926339 (E_RNA) where: Base-Base interactions energy: -24.203 where: short stacking energy: -15.675 Base-Backbone interact. energy: -0.183 local terms energy: -31.540426 where: bonds (distance) C4'-P energy: -8.647 bonds (distance) P-C4' energy: -13.121 flat angles C4'-P-C4' energy: -6.084 flat angles P-C4'-P energy: -5.746 tors. eta vs tors. theta energy: 2.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -204.072246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.072246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.072246 (E_RNA) where: Base-Base interactions energy: -141.102 where: short stacking energy: -60.701 Base-Backbone interact. energy: -0.000 local terms energy: -62.969693 where: bonds (distance) C4'-P energy: -12.865 bonds (distance) P-C4' energy: -12.594 flat angles C4'-P-C4' energy: -11.095 flat angles P-C4'-P energy: -9.312 tors. eta vs tors. theta energy: -17.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -205.301998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.301998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.301998 (E_RNA) where: Base-Base interactions energy: -140.568 where: short stacking energy: -59.769 Base-Backbone interact. energy: 0.535 local terms energy: -65.269095 where: bonds (distance) C4'-P energy: -10.457 bonds (distance) P-C4' energy: -12.070 flat angles C4'-P-C4' energy: -14.361 flat angles P-C4'-P energy: -10.974 tors. eta vs tors. theta energy: -17.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -188.764312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.764312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.764312 (E_RNA) where: Base-Base interactions energy: -125.081 where: short stacking energy: -52.252 Base-Backbone interact. energy: -0.046 local terms energy: -63.637038 where: bonds (distance) C4'-P energy: -11.699 bonds (distance) P-C4' energy: -13.046 flat angles C4'-P-C4' energy: -12.070 flat angles P-C4'-P energy: -10.696 tors. eta vs tors. theta energy: -16.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -192.835242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.835242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.835242 (E_RNA) where: Base-Base interactions energy: -136.174 where: short stacking energy: -61.744 Base-Backbone interact. energy: -0.000 local terms energy: -56.660560 where: bonds (distance) C4'-P energy: -9.338 bonds (distance) P-C4' energy: -9.759 flat angles C4'-P-C4' energy: -12.294 flat angles P-C4'-P energy: -8.490 tors. eta vs tors. theta energy: -16.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -189.240165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.240165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.240165 (E_RNA) where: Base-Base interactions energy: -129.224 where: short stacking energy: -52.529 Base-Backbone interact. energy: -0.083 local terms energy: -59.933227 where: bonds (distance) C4'-P energy: -14.413 bonds (distance) P-C4' energy: -10.708 flat angles C4'-P-C4' energy: -13.632 flat angles P-C4'-P energy: -7.428 tors. eta vs tors. theta energy: -13.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -173.322824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.322824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.322824 (E_RNA) where: Base-Base interactions energy: -117.708 where: short stacking energy: -44.405 Base-Backbone interact. energy: -0.195 local terms energy: -55.419210 where: bonds (distance) C4'-P energy: -10.721 bonds (distance) P-C4' energy: -14.814 flat angles C4'-P-C4' energy: -9.692 flat angles P-C4'-P energy: -8.756 tors. eta vs tors. theta energy: -11.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -180.745732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.745732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.745732 (E_RNA) where: Base-Base interactions energy: -119.442 where: short stacking energy: -50.759 Base-Backbone interact. energy: -0.042 local terms energy: -61.262321 where: bonds (distance) C4'-P energy: -11.590 bonds (distance) P-C4' energy: -9.902 flat angles C4'-P-C4' energy: -11.791 flat angles P-C4'-P energy: -10.236 tors. eta vs tors. theta energy: -17.743 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: 1 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -177.757478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.757478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.757478 (E_RNA) where: Base-Base interactions energy: -124.185 where: short stacking energy: -49.690 Base-Backbone interact. energy: -0.005 local terms energy: -53.567873 where: bonds (distance) C4'-P energy: -8.642 bonds (distance) P-C4' energy: -11.946 flat angles C4'-P-C4' energy: -11.428 flat angles P-C4'-P energy: -7.551 tors. eta vs tors. theta energy: -14.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -71.654099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.654099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.654099 (E_RNA) where: Base-Base interactions energy: -28.444 where: short stacking energy: -28.444 Base-Backbone interact. energy: -0.098 local terms energy: -43.112268 where: bonds (distance) C4'-P energy: -11.549 bonds (distance) P-C4' energy: -12.823 flat angles C4'-P-C4' energy: -10.730 flat angles P-C4'-P energy: -6.610 tors. eta vs tors. theta energy: -1.400 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: 8 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -62.243567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.243567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.243567 (E_RNA) where: Base-Base interactions energy: -24.489 where: short stacking energy: -20.507 Base-Backbone interact. energy: -0.737 local terms energy: -37.017148 where: bonds (distance) C4'-P energy: -9.418 bonds (distance) P-C4' energy: -9.686 flat angles C4'-P-C4' energy: -12.338 flat angles P-C4'-P energy: -3.811 tors. eta vs tors. theta energy: -1.766 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: 7 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -201.803185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.803185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.803185 (E_RNA) where: Base-Base interactions energy: -140.051 where: short stacking energy: -58.496 Base-Backbone interact. energy: -0.002 local terms energy: -61.749965 where: bonds (distance) C4'-P energy: -14.517 bonds (distance) P-C4' energy: -13.193 flat angles C4'-P-C4' energy: -11.884 flat angles P-C4'-P energy: -8.198 tors. eta vs tors. theta energy: -13.958 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: 9 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -202.494395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.494395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.494395 (E_RNA) where: Base-Base interactions energy: -139.709 where: short stacking energy: -60.013 Base-Backbone interact. energy: -0.001 local terms energy: -62.784391 where: bonds (distance) C4'-P energy: -12.667 bonds (distance) P-C4' energy: -12.267 flat angles C4'-P-C4' energy: -14.620 flat angles P-C4'-P energy: -6.496 tors. eta vs tors. theta energy: -16.734 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: 361 Temperature: 1.000000 Total energy: -191.059570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.059570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.059570 (E_RNA) where: Base-Base interactions energy: -136.435 where: short stacking energy: -58.672 Base-Backbone interact. energy: -0.051 local terms energy: -54.572825 where: bonds (distance) C4'-P energy: -10.577 bonds (distance) P-C4' energy: -8.844 flat angles C4'-P-C4' energy: -12.781 flat angles P-C4'-P energy: -8.109 tors. eta vs tors. theta energy: -14.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -192.246199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.246199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.246199 (E_RNA) where: Base-Base interactions energy: -141.705 where: short stacking energy: -53.912 Base-Backbone interact. energy: -0.003 local terms energy: -50.539120 where: bonds (distance) C4'-P energy: -7.683 bonds (distance) P-C4' energy: -12.150 flat angles C4'-P-C4' energy: -13.980 flat angles P-C4'-P energy: -5.322 tors. eta vs tors. theta energy: -11.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -192.658012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.658012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.658012 (E_RNA) where: Base-Base interactions energy: -132.310 where: short stacking energy: -52.439 Base-Backbone interact. energy: 0.069 local terms energy: -60.417124 where: bonds (distance) C4'-P energy: -12.283 bonds (distance) P-C4' energy: -12.443 flat angles C4'-P-C4' energy: -11.985 flat angles P-C4'-P energy: -8.428 tors. eta vs tors. theta energy: -15.278 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: 10 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -172.958009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.958009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.958009 (E_RNA) where: Base-Base interactions energy: -111.741 where: short stacking energy: -47.239 Base-Backbone interact. energy: -0.446 local terms energy: -60.770629 where: bonds (distance) C4'-P energy: -11.483 bonds (distance) P-C4' energy: -11.619 flat angles C4'-P-C4' energy: -10.654 flat angles P-C4'-P energy: -10.542 tors. eta vs tors. theta energy: -16.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -167.031610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.031610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.031610 (E_RNA) where: Base-Base interactions energy: -125.100 where: short stacking energy: -48.944 Base-Backbone interact. energy: -0.168 local terms energy: -41.763105 where: bonds (distance) C4'-P energy: -3.836 bonds (distance) P-C4' energy: -11.724 flat angles C4'-P-C4' energy: -8.145 flat angles P-C4'-P energy: -5.805 tors. eta vs tors. theta energy: -12.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -185.977242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.977242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.977242 (E_RNA) where: Base-Base interactions energy: -123.696 where: short stacking energy: -48.550 Base-Backbone interact. energy: -0.004 local terms energy: -62.277032 where: bonds (distance) C4'-P energy: -12.700 bonds (distance) P-C4' energy: -14.864 flat angles C4'-P-C4' energy: -10.684 flat angles P-C4'-P energy: -8.883 tors. eta vs tors. theta energy: -15.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -80.903122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.903122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.903122 (E_RNA) where: Base-Base interactions energy: -39.368 where: short stacking energy: -17.135 Base-Backbone interact. energy: -0.313 local terms energy: -41.221646 where: bonds (distance) C4'-P energy: -12.236 bonds (distance) P-C4' energy: -12.855 flat angles C4'-P-C4' energy: -7.453 flat angles P-C4'-P energy: -8.269 tors. eta vs tors. theta energy: -0.408 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: 8 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -61.788591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.788591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.788591 (E_RNA) where: Base-Base interactions energy: -22.334 where: short stacking energy: -20.931 Base-Backbone interact. energy: -0.014 local terms energy: -39.440954 where: bonds (distance) C4'-P energy: -14.190 bonds (distance) P-C4' energy: -13.314 flat angles C4'-P-C4' energy: -9.819 flat angles P-C4'-P energy: -1.987 tors. eta vs tors. theta energy: -0.130 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: 1, replica: 9 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -205.988803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.988803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.988803 (E_RNA) where: Base-Base interactions energy: -139.981 where: short stacking energy: -58.680 Base-Backbone interact. energy: 0.773 local terms energy: -66.781120 where: bonds (distance) C4'-P energy: -13.197 bonds (distance) P-C4' energy: -12.917 flat angles C4'-P-C4' energy: -14.487 flat angles P-C4'-P energy: -8.639 tors. eta vs tors. theta energy: -17.541 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: 7 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -197.680161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.680161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.680161 (E_RNA) where: Base-Base interactions energy: -137.814 where: short stacking energy: -60.318 Base-Backbone interact. energy: -0.025 local terms energy: -59.841156 where: bonds (distance) C4'-P energy: -12.331 bonds (distance) P-C4' energy: -10.461 flat angles C4'-P-C4' energy: -14.188 flat angles P-C4'-P energy: -8.717 tors. eta vs tors. theta energy: -14.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -194.288364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.288364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.288364 (E_RNA) where: Base-Base interactions energy: -134.242 where: short stacking energy: -58.411 Base-Backbone interact. energy: -0.122 local terms energy: -59.924196 where: bonds (distance) C4'-P energy: -8.704 bonds (distance) P-C4' energy: -11.475 flat angles C4'-P-C4' energy: -13.984 flat angles P-C4'-P energy: -9.866 tors. eta vs tors. theta energy: -15.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -194.759475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.759475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.759475 (E_RNA) where: Base-Base interactions energy: -131.759 where: short stacking energy: -55.237 Base-Backbone interact. energy: -0.124 local terms energy: -62.876333 where: bonds (distance) C4'-P energy: -11.098 bonds (distance) P-C4' energy: -12.129 flat angles C4'-P-C4' energy: -12.597 flat angles P-C4'-P energy: -10.245 tors. eta vs tors. theta energy: -16.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -173.833003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.833003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.833003 (E_RNA) where: Base-Base interactions energy: -119.812 where: short stacking energy: -48.646 Base-Backbone interact. energy: -0.121 local terms energy: -53.900115 where: bonds (distance) C4'-P energy: -9.783 bonds (distance) P-C4' energy: -12.177 flat angles C4'-P-C4' energy: -12.429 flat angles P-C4'-P energy: -7.910 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: 6, replica: 5 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -189.466895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.466895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.466895 (E_RNA) where: Base-Base interactions energy: -132.855 where: short stacking energy: -59.135 Base-Backbone interact. energy: -0.001 local terms energy: -56.610300 where: bonds (distance) C4'-P energy: -9.020 bonds (distance) P-C4' energy: -11.337 flat angles C4'-P-C4' energy: -12.060 flat angles P-C4'-P energy: -8.890 tors. eta vs tors. theta energy: -15.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -171.330363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.330363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.330363 (E_RNA) where: Base-Base interactions energy: -120.958 where: short stacking energy: -49.896 Base-Backbone interact. energy: 0.389 local terms energy: -50.760903 where: bonds (distance) C4'-P energy: -10.551 bonds (distance) P-C4' energy: -10.707 flat angles C4'-P-C4' energy: -8.170 flat angles P-C4'-P energy: -6.876 tors. eta vs tors. theta energy: -14.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -161.849554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.849554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.849554 (E_RNA) where: Base-Base interactions energy: -111.974 where: short stacking energy: -48.737 Base-Backbone interact. energy: -0.010 local terms energy: -49.866147 where: bonds (distance) C4'-P energy: -6.181 bonds (distance) P-C4' energy: -14.231 flat angles C4'-P-C4' energy: -9.968 flat angles P-C4'-P energy: -4.740 tors. eta vs tors. theta energy: -14.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -65.658523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.658523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.658523 (E_RNA) where: Base-Base interactions energy: -22.250 where: short stacking energy: -19.947 Base-Backbone interact. energy: 0.572 local terms energy: -43.981014 where: bonds (distance) C4'-P energy: -13.335 bonds (distance) P-C4' energy: -9.946 flat angles C4'-P-C4' energy: -12.092 flat angles P-C4'-P energy: -7.799 tors. eta vs tors. theta energy: -0.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -64.912845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.912845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.912845 (E_RNA) where: Base-Base interactions energy: -23.278 where: short stacking energy: -17.514 Base-Backbone interact. energy: -0.078 local terms energy: -41.557174 where: bonds (distance) C4'-P energy: -12.974 bonds (distance) P-C4' energy: -12.634 flat angles C4'-P-C4' energy: -9.181 flat angles P-C4'-P energy: -7.461 tors. eta vs tors. theta energy: 0.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -200.223313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.223313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.223313 (E_RNA) where: Base-Base interactions energy: -137.529 where: short stacking energy: -56.297 Base-Backbone interact. energy: -0.005 local terms energy: -62.689762 where: bonds (distance) C4'-P energy: -12.344 bonds (distance) P-C4' energy: -11.039 flat angles C4'-P-C4' energy: -11.997 flat angles P-C4'-P energy: -10.610 tors. eta vs tors. theta energy: -16.699 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: 7 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -193.903915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.903915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.903915 (E_RNA) where: Base-Base interactions energy: -135.635 where: short stacking energy: -56.170 Base-Backbone interact. energy: -0.114 local terms energy: -58.154032 where: bonds (distance) C4'-P energy: -13.578 bonds (distance) P-C4' energy: -9.403 flat angles C4'-P-C4' energy: -12.269 flat angles P-C4'-P energy: -8.434 tors. eta vs tors. theta energy: -14.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -196.666442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.666442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.666442 (E_RNA) where: Base-Base interactions energy: -135.539 where: short stacking energy: -62.316 Base-Backbone interact. energy: -0.012 local terms energy: -61.116139 where: bonds (distance) C4'-P energy: -13.946 bonds (distance) P-C4' energy: -11.392 flat angles C4'-P-C4' energy: -11.104 flat angles P-C4'-P energy: -8.256 tors. eta vs tors. theta energy: -16.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -183.579007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.579007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.579007 (E_RNA) where: Base-Base interactions energy: -131.506 where: short stacking energy: -55.426 Base-Backbone interact. energy: -0.004 local terms energy: -52.068936 where: bonds (distance) C4'-P energy: -9.588 bonds (distance) P-C4' energy: -9.202 flat angles C4'-P-C4' energy: -13.114 flat angles P-C4'-P energy: -6.542 tors. eta vs tors. theta energy: -13.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -198.029359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.029359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.029359 (E_RNA) where: Base-Base interactions energy: -137.201 where: short stacking energy: -60.573 Base-Backbone interact. energy: -0.001 local terms energy: -60.827689 where: bonds (distance) C4'-P energy: -12.220 bonds (distance) P-C4' energy: -11.466 flat angles C4'-P-C4' energy: -14.144 flat angles P-C4'-P energy: -7.990 tors. eta vs tors. theta energy: -15.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -175.136147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.136147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.136147 (E_RNA) where: Base-Base interactions energy: -119.835 where: short stacking energy: -44.339 Base-Backbone interact. energy: 0.602 local terms energy: -55.902540 where: bonds (distance) C4'-P energy: -9.338 bonds (distance) P-C4' energy: -14.674 flat angles C4'-P-C4' energy: -11.354 flat angles P-C4'-P energy: -6.022 tors. eta vs tors. theta energy: -14.514 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: 363 Temperature: 1.200000 Total energy: -174.141417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.141417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.141417 (E_RNA) where: Base-Base interactions energy: -119.896 where: short stacking energy: -50.560 Base-Backbone interact. energy: -0.048 local terms energy: -54.196789 where: bonds (distance) C4'-P energy: -12.477 bonds (distance) P-C4' energy: -9.030 flat angles C4'-P-C4' energy: -11.542 flat angles P-C4'-P energy: -7.234 tors. eta vs tors. theta energy: -13.914 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: 363 Temperature: 1.250000 Total energy: -182.026476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.026476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.026476 (E_RNA) where: Base-Base interactions energy: -128.748 where: short stacking energy: -54.820 Base-Backbone interact. energy: -0.015 local terms energy: -53.263466 where: bonds (distance) C4'-P energy: -8.739 bonds (distance) P-C4' energy: -11.901 flat angles C4'-P-C4' energy: -12.711 flat angles P-C4'-P energy: -6.148 tors. eta vs tors. theta energy: -13.764 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: 8 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -63.467504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.467504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.467504 (E_RNA) where: Base-Base interactions energy: -27.395 where: short stacking energy: -27.395 Base-Backbone interact. energy: 0.337 local terms energy: -36.409471 where: bonds (distance) C4'-P energy: -6.196 bonds (distance) P-C4' energy: -7.505 flat angles C4'-P-C4' energy: -9.624 flat angles P-C4'-P energy: -9.998 tors. eta vs tors. theta energy: -3.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -61.573476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.573476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.573476 (E_RNA) where: Base-Base interactions energy: -24.679 where: short stacking energy: -24.679 Base-Backbone interact. energy: -0.064 local terms energy: -36.830661 where: bonds (distance) C4'-P energy: -9.185 bonds (distance) P-C4' energy: -13.169 flat angles C4'-P-C4' energy: -11.287 flat angles P-C4'-P energy: -5.969 tors. eta vs tors. theta energy: 2.780 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: 9 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -206.245503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.245503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.245503 (E_RNA) where: Base-Base interactions energy: -136.733 where: short stacking energy: -54.356 Base-Backbone interact. energy: -1.183 local terms energy: -68.329907 where: bonds (distance) C4'-P energy: -14.191 bonds (distance) P-C4' energy: -15.104 flat angles C4'-P-C4' energy: -12.576 flat angles P-C4'-P energy: -11.341 tors. eta vs tors. theta energy: -15.118 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: 7 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -199.124420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.124420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.124420 (E_RNA) where: Base-Base interactions energy: -133.437 where: short stacking energy: -57.863 Base-Backbone interact. energy: 0.586 local terms energy: -66.273147 where: bonds (distance) C4'-P energy: -13.471 bonds (distance) P-C4' energy: -12.874 flat angles C4'-P-C4' energy: -14.805 flat angles P-C4'-P energy: -11.534 tors. eta vs tors. theta energy: -13.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -177.572304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.572304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.572304 (E_RNA) where: Base-Base interactions energy: -119.382 where: short stacking energy: -53.661 Base-Backbone interact. energy: -0.098 local terms energy: -58.092320 where: bonds (distance) C4'-P energy: -13.077 bonds (distance) P-C4' energy: -12.892 flat angles C4'-P-C4' energy: -11.778 flat angles P-C4'-P energy: -8.048 tors. eta vs tors. theta energy: -12.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -191.169423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.169423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.169423 (E_RNA) where: Base-Base interactions energy: -134.907 where: short stacking energy: -56.520 Base-Backbone interact. energy: -0.025 local terms energy: -56.237837 where: bonds (distance) C4'-P energy: -8.063 bonds (distance) P-C4' energy: -11.457 flat angles C4'-P-C4' energy: -11.211 flat angles P-C4'-P energy: -9.914 tors. eta vs tors. theta energy: -15.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -179.712755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.712755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.712755 (E_RNA) where: Base-Base interactions energy: -124.210 where: short stacking energy: -47.462 Base-Backbone interact. energy: -0.041 local terms energy: -55.461643 where: bonds (distance) C4'-P energy: -12.092 bonds (distance) P-C4' energy: -11.853 flat angles C4'-P-C4' energy: -12.201 flat angles P-C4'-P energy: -9.946 tors. eta vs tors. theta energy: -9.370 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: 6, replica: 6 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -174.654585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.654585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.654585 (E_RNA) where: Base-Base interactions energy: -123.669 where: short stacking energy: -57.218 Base-Backbone interact. energy: -0.038 local terms energy: -50.947655 where: bonds (distance) C4'-P energy: -10.560 bonds (distance) P-C4' energy: -9.135 flat angles C4'-P-C4' energy: -12.217 flat angles P-C4'-P energy: -7.354 tors. eta vs tors. theta energy: -11.682 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: 2 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -188.945697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.945697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.945697 (E_RNA) where: Base-Base interactions energy: -122.334 where: short stacking energy: -55.314 Base-Backbone interact. energy: -0.275 local terms energy: -66.336197 where: bonds (distance) C4'-P energy: -13.728 bonds (distance) P-C4' energy: -10.376 flat angles C4'-P-C4' energy: -14.505 flat angles P-C4'-P energy: -10.600 tors. eta vs tors. theta energy: -17.128 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: 5 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -174.737642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.737642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.737642 (E_RNA) where: Base-Base interactions energy: -123.359 where: short stacking energy: -54.346 Base-Backbone interact. energy: -0.048 local terms energy: -51.331227 where: bonds (distance) C4'-P energy: -6.097 bonds (distance) P-C4' energy: -11.119 flat angles C4'-P-C4' energy: -10.316 flat angles P-C4'-P energy: -8.941 tors. eta vs tors. theta energy: -14.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -70.080494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.080494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.080494 (E_RNA) where: Base-Base interactions energy: -23.443 where: short stacking energy: -23.381 Base-Backbone interact. energy: -0.498 local terms energy: -46.139678 where: bonds (distance) C4'-P energy: -10.808 bonds (distance) P-C4' energy: -12.944 flat angles C4'-P-C4' energy: -10.474 flat angles P-C4'-P energy: -7.821 tors. eta vs tors. theta energy: -4.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -63.689315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.689315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.689315 (E_RNA) where: Base-Base interactions energy: -25.233 where: short stacking energy: -22.028 Base-Backbone interact. energy: -0.053 local terms energy: -38.403331 where: bonds (distance) C4'-P energy: -7.064 bonds (distance) P-C4' energy: -14.109 flat angles C4'-P-C4' energy: -10.760 flat angles P-C4'-P energy: -3.918 tors. eta vs tors. theta energy: -2.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -200.281413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.281413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.281413 (E_RNA) where: Base-Base interactions energy: -139.731 where: short stacking energy: -58.772 Base-Backbone interact. energy: -0.122 local terms energy: -60.428359 where: bonds (distance) C4'-P energy: -9.533 bonds (distance) P-C4' energy: -12.564 flat angles C4'-P-C4' energy: -12.490 flat angles P-C4'-P energy: -11.633 tors. eta vs tors. theta energy: -14.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -205.250136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.250136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.250136 (E_RNA) where: Base-Base interactions energy: -143.151 where: short stacking energy: -61.491 Base-Backbone interact. energy: -0.001 local terms energy: -62.097646 where: bonds (distance) C4'-P energy: -12.038 bonds (distance) P-C4' energy: -12.835 flat angles C4'-P-C4' energy: -13.878 flat angles P-C4'-P energy: -8.512 tors. eta vs tors. theta energy: -14.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -187.800363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.800363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.800363 (E_RNA) where: Base-Base interactions energy: -127.272 where: short stacking energy: -46.653 Base-Backbone interact. energy: -0.000 local terms energy: -60.527876 where: bonds (distance) C4'-P energy: -13.718 bonds (distance) P-C4' energy: -12.902 flat angles C4'-P-C4' energy: -12.058 flat angles P-C4'-P energy: -10.376 tors. eta vs tors. theta energy: -11.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -194.932944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.932944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.932944 (E_RNA) where: Base-Base interactions energy: -138.160 where: short stacking energy: -59.310 Base-Backbone interact. energy: -0.920 local terms energy: -55.853206 where: bonds (distance) C4'-P energy: -9.561 bonds (distance) P-C4' energy: -10.026 flat angles C4'-P-C4' energy: -14.427 flat angles P-C4'-P energy: -4.414 tors. eta vs tors. theta energy: -17.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -184.336307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.336307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.336307 (E_RNA) where: Base-Base interactions energy: -132.359 where: short stacking energy: -52.229 Base-Backbone interact. energy: -0.000 local terms energy: -51.977409 where: bonds (distance) C4'-P energy: -6.982 bonds (distance) P-C4' energy: -11.361 flat angles C4'-P-C4' energy: -11.087 flat angles P-C4'-P energy: -6.912 tors. eta vs tors. theta energy: -15.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -167.080106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.080106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.080106 (E_RNA) where: Base-Base interactions energy: -120.440 where: short stacking energy: -48.840 Base-Backbone interact. energy: -0.064 local terms energy: -46.576030 where: bonds (distance) C4'-P energy: -6.599 bonds (distance) P-C4' energy: -14.671 flat angles C4'-P-C4' energy: -13.736 flat angles P-C4'-P energy: -3.108 tors. eta vs tors. theta energy: -8.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -170.489918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.489918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.489918 (E_RNA) where: Base-Base interactions energy: -125.990 where: short stacking energy: -49.644 Base-Backbone interact. energy: -0.038 local terms energy: -44.461142 where: bonds (distance) C4'-P energy: -7.981 bonds (distance) P-C4' energy: -9.411 flat angles C4'-P-C4' energy: -8.046 flat angles P-C4'-P energy: -5.297 tors. eta vs tors. theta energy: -13.725 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: 5 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -161.156127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.156127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.156127 (E_RNA) where: Base-Base interactions energy: -114.077 where: short stacking energy: -48.012 Base-Backbone interact. energy: 0.124 local terms energy: -47.202883 where: bonds (distance) C4'-P energy: -11.967 bonds (distance) P-C4' energy: -6.648 flat angles C4'-P-C4' energy: -9.035 flat angles P-C4'-P energy: -9.143 tors. eta vs tors. theta energy: -10.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -81.893700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.893700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.893700 (E_RNA) where: Base-Base interactions energy: -37.217 where: short stacking energy: -37.217 Base-Backbone interact. energy: -0.000 local terms energy: -44.676321 where: bonds (distance) C4'-P energy: -10.470 bonds (distance) P-C4' energy: -11.929 flat angles C4'-P-C4' energy: -6.276 flat angles P-C4'-P energy: -9.965 tors. eta vs tors. theta energy: -6.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -65.274227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.274227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.274227 (E_RNA) where: Base-Base interactions energy: -23.092 where: short stacking energy: -23.092 Base-Backbone interact. energy: -0.216 local terms energy: -41.966370 where: bonds (distance) C4'-P energy: -9.189 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -12.052 flat angles P-C4'-P energy: -6.970 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: 7 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -205.857630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.857630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.857630 (E_RNA) where: Base-Base interactions energy: -137.094 where: short stacking energy: -58.124 Base-Backbone interact. energy: -0.414 local terms energy: -68.349448 where: bonds (distance) C4'-P energy: -12.845 bonds (distance) P-C4' energy: -11.457 flat angles C4'-P-C4' energy: -14.823 flat angles P-C4'-P energy: -11.275 tors. eta vs tors. theta energy: -17.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -202.856208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.856208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.856208 (E_RNA) where: Base-Base interactions energy: -138.233 where: short stacking energy: -60.089 Base-Backbone interact. energy: -0.012 local terms energy: -64.611037 where: bonds (distance) C4'-P energy: -14.322 bonds (distance) P-C4' energy: -10.448 flat angles C4'-P-C4' energy: -14.398 flat angles P-C4'-P energy: -10.044 tors. eta vs tors. theta energy: -15.399 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: 10 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -186.915281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.915281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.915281 (E_RNA) where: Base-Base interactions energy: -130.902 where: short stacking energy: -54.364 Base-Backbone interact. energy: -0.100 local terms energy: -55.913837 where: bonds (distance) C4'-P energy: -10.027 bonds (distance) P-C4' energy: -12.574 flat angles C4'-P-C4' energy: -11.939 flat angles P-C4'-P energy: -9.166 tors. eta vs tors. theta energy: -12.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -199.310481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.310481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.310481 (E_RNA) where: Base-Base interactions energy: -134.778 where: short stacking energy: -57.181 Base-Backbone interact. energy: -0.001 local terms energy: -64.531948 where: bonds (distance) C4'-P energy: -13.995 bonds (distance) P-C4' energy: -14.643 flat angles C4'-P-C4' energy: -12.366 flat angles P-C4'-P energy: -6.541 tors. eta vs tors. theta energy: -16.987 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: 366 Temperature: 1.100000 Total energy: -186.479729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.479729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.479729 (E_RNA) where: Base-Base interactions energy: -126.859 where: short stacking energy: -52.841 Base-Backbone interact. energy: -0.253 local terms energy: -59.367639 where: bonds (distance) C4'-P energy: -11.267 bonds (distance) P-C4' energy: -11.352 flat angles C4'-P-C4' energy: -12.325 flat angles P-C4'-P energy: -9.017 tors. eta vs tors. theta energy: -15.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -185.113456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.113456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.113456 (E_RNA) where: Base-Base interactions energy: -130.813 where: short stacking energy: -56.527 Base-Backbone interact. energy: -0.201 local terms energy: -54.099965 where: bonds (distance) C4'-P energy: -6.012 bonds (distance) P-C4' energy: -11.930 flat angles C4'-P-C4' energy: -12.498 flat angles P-C4'-P energy: -7.396 tors. eta vs tors. theta energy: -16.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -183.126319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.126319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.126319 (E_RNA) where: Base-Base interactions energy: -132.090 where: short stacking energy: -48.166 Base-Backbone interact. energy: -0.045 local terms energy: -50.991735 where: bonds (distance) C4'-P energy: -8.771 bonds (distance) P-C4' energy: -11.781 flat angles C4'-P-C4' energy: -12.905 flat angles P-C4'-P energy: -9.473 tors. eta vs tors. theta energy: -8.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -154.764668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.764668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.764668 (E_RNA) where: Base-Base interactions energy: -112.908 where: short stacking energy: -36.783 Base-Backbone interact. energy: -0.668 local terms energy: -41.189536 where: bonds (distance) C4'-P energy: -6.482 bonds (distance) P-C4' energy: -9.862 flat angles C4'-P-C4' energy: -8.600 flat angles P-C4'-P energy: -9.696 tors. eta vs tors. theta energy: -6.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -76.521712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.521712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.521712 (E_RNA) where: Base-Base interactions energy: -37.601 where: short stacking energy: -27.440 Base-Backbone interact. energy: 2.085 local terms energy: -41.005930 where: bonds (distance) C4'-P energy: -12.034 bonds (distance) P-C4' energy: -12.405 flat angles C4'-P-C4' energy: -9.852 flat angles P-C4'-P energy: -4.626 tors. eta vs tors. theta energy: -2.090 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: 3 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -78.586341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.586341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.586341 (E_RNA) where: Base-Base interactions energy: -37.573 where: short stacking energy: -33.378 Base-Backbone interact. energy: -0.110 local terms energy: -40.903333 where: bonds (distance) C4'-P energy: -10.116 bonds (distance) P-C4' energy: -12.570 flat angles C4'-P-C4' energy: -9.619 flat angles P-C4'-P energy: -3.613 tors. eta vs tors. theta energy: -4.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -203.281289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.281289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.281289 (E_RNA) where: Base-Base interactions energy: -143.085 where: short stacking energy: -61.438 Base-Backbone interact. energy: -0.000 local terms energy: -60.196257 where: bonds (distance) C4'-P energy: -12.220 bonds (distance) P-C4' energy: -10.396 flat angles C4'-P-C4' energy: -13.044 flat angles P-C4'-P energy: -6.221 tors. eta vs tors. theta energy: -18.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -202.974838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.974838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.974838 (E_RNA) where: Base-Base interactions energy: -140.944 where: short stacking energy: -58.376 Base-Backbone interact. energy: -0.000 local terms energy: -62.030365 where: bonds (distance) C4'-P energy: -11.865 bonds (distance) P-C4' energy: -13.539 flat angles C4'-P-C4' energy: -10.649 flat angles P-C4'-P energy: -7.406 tors. eta vs tors. theta energy: -18.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -194.270543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.270543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.270543 (E_RNA) where: Base-Base interactions energy: -135.234 where: short stacking energy: -60.014 Base-Backbone interact. energy: -0.000 local terms energy: -59.036851 where: bonds (distance) C4'-P energy: -8.676 bonds (distance) P-C4' energy: -14.610 flat angles C4'-P-C4' energy: -14.354 flat angles P-C4'-P energy: -8.140 tors. eta vs tors. theta energy: -13.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -191.857864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.857864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.857864 (E_RNA) where: Base-Base interactions energy: -130.370 where: short stacking energy: -51.526 Base-Backbone interact. energy: -0.014 local terms energy: -61.473375 where: bonds (distance) C4'-P energy: -12.468 bonds (distance) P-C4' energy: -12.466 flat angles C4'-P-C4' energy: -14.410 flat angles P-C4'-P energy: -7.344 tors. eta vs tors. theta energy: -14.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -190.795630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.795630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.795630 (E_RNA) where: Base-Base interactions energy: -125.758 where: short stacking energy: -51.842 Base-Backbone interact. energy: -0.132 local terms energy: -64.905239 where: bonds (distance) C4'-P energy: -10.858 bonds (distance) P-C4' energy: -14.889 flat angles C4'-P-C4' energy: -11.510 flat angles P-C4'-P energy: -10.611 tors. eta vs tors. theta energy: -17.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -181.890805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.890805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.890805 (E_RNA) where: Base-Base interactions energy: -123.576 where: short stacking energy: -44.673 Base-Backbone interact. energy: -0.043 local terms energy: -58.271940 where: bonds (distance) C4'-P energy: -10.820 bonds (distance) P-C4' energy: -12.430 flat angles C4'-P-C4' energy: -11.110 flat angles P-C4'-P energy: -9.338 tors. eta vs tors. theta energy: -14.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -178.383856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.383856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.383856 (E_RNA) where: Base-Base interactions energy: -122.558 where: short stacking energy: -55.301 Base-Backbone interact. energy: -0.012 local terms energy: -55.814785 where: bonds (distance) C4'-P energy: -13.152 bonds (distance) P-C4' energy: -9.871 flat angles C4'-P-C4' energy: -9.206 flat angles P-C4'-P energy: -6.594 tors. eta vs tors. theta energy: -16.992 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: 367 Temperature: 1.250000 Total energy: -168.390395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.390395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.390395 (E_RNA) where: Base-Base interactions energy: -112.203 where: short stacking energy: -47.302 Base-Backbone interact. energy: -0.109 local terms energy: -56.078328 where: bonds (distance) C4'-P energy: -8.138 bonds (distance) P-C4' energy: -14.650 flat angles C4'-P-C4' energy: -11.746 flat angles P-C4'-P energy: -9.441 tors. eta vs tors. theta energy: -12.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -70.448330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.448330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.448330 (E_RNA) where: Base-Base interactions energy: -22.197 where: short stacking energy: -22.197 Base-Backbone interact. energy: -0.207 local terms energy: -48.044804 where: bonds (distance) C4'-P energy: -13.736 bonds (distance) P-C4' energy: -13.018 flat angles C4'-P-C4' energy: -9.748 flat angles P-C4'-P energy: -10.186 tors. eta vs tors. theta energy: -1.357 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: 3 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -72.066398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.066398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.066398 (E_RNA) where: Base-Base interactions energy: -32.193 where: short stacking energy: -18.096 Base-Backbone interact. energy: -0.065 local terms energy: -39.808460 where: bonds (distance) C4'-P energy: -9.696 bonds (distance) P-C4' energy: -10.845 flat angles C4'-P-C4' energy: -9.456 flat angles P-C4'-P energy: -3.934 tors. eta vs tors. theta energy: -5.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -203.803955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.803955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.803955 (E_RNA) where: Base-Base interactions energy: -141.973 where: short stacking energy: -61.894 Base-Backbone interact. energy: -0.002 local terms energy: -61.829313 where: bonds (distance) C4'-P energy: -12.503 bonds (distance) P-C4' energy: -9.873 flat angles C4'-P-C4' energy: -12.589 flat angles P-C4'-P energy: -10.436 tors. eta vs tors. theta energy: -16.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -202.834360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.834360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.834360 (E_RNA) where: Base-Base interactions energy: -138.838 where: short stacking energy: -56.941 Base-Backbone interact. energy: -0.171 local terms energy: -63.825596 where: bonds (distance) C4'-P energy: -11.618 bonds (distance) P-C4' energy: -13.944 flat angles C4'-P-C4' energy: -11.924 flat angles P-C4'-P energy: -10.237 tors. eta vs tors. theta energy: -16.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -198.362852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.362852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.362852 (E_RNA) where: Base-Base interactions energy: -141.610 where: short stacking energy: -61.324 Base-Backbone interact. energy: -0.043 local terms energy: -56.709461 where: bonds (distance) C4'-P energy: -8.304 bonds (distance) P-C4' energy: -12.662 flat angles C4'-P-C4' energy: -11.659 flat angles P-C4'-P energy: -7.646 tors. eta vs tors. theta energy: -16.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -191.888593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.888593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.888593 (E_RNA) where: Base-Base interactions energy: -132.017 where: short stacking energy: -52.996 Base-Backbone interact. energy: -0.002 local terms energy: -59.869825 where: bonds (distance) C4'-P energy: -15.151 bonds (distance) P-C4' energy: -11.420 flat angles C4'-P-C4' energy: -14.097 flat angles P-C4'-P energy: -4.556 tors. eta vs tors. theta energy: -14.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -187.953458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.953458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.953458 (E_RNA) where: Base-Base interactions energy: -134.063 where: short stacking energy: -58.321 Base-Backbone interact. energy: -0.000 local terms energy: -53.890741 where: bonds (distance) C4'-P energy: -12.461 bonds (distance) P-C4' energy: -12.592 flat angles C4'-P-C4' energy: -11.157 flat angles P-C4'-P energy: -2.894 tors. eta vs tors. theta energy: -14.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -191.529989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.529989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.529989 (E_RNA) where: Base-Base interactions energy: -133.378 where: short stacking energy: -53.463 Base-Backbone interact. energy: -0.030 local terms energy: -58.122716 where: bonds (distance) C4'-P energy: -13.338 bonds (distance) P-C4' energy: -10.246 flat angles C4'-P-C4' energy: -13.490 flat angles P-C4'-P energy: -5.156 tors. eta vs tors. theta energy: -15.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -172.508872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.508872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.508872 (E_RNA) where: Base-Base interactions energy: -115.117 where: short stacking energy: -48.522 Base-Backbone interact. energy: -0.111 local terms energy: -57.280448 where: bonds (distance) C4'-P energy: -9.901 bonds (distance) P-C4' energy: -11.215 flat angles C4'-P-C4' energy: -10.723 flat angles P-C4'-P energy: -7.212 tors. eta vs tors. theta energy: -18.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -163.759135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.759135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.759135 (E_RNA) where: Base-Base interactions energy: -108.507 where: short stacking energy: -40.161 Base-Backbone interact. energy: -0.050 local terms energy: -55.202286 where: bonds (distance) C4'-P energy: -9.156 bonds (distance) P-C4' energy: -9.088 flat angles C4'-P-C4' energy: -12.240 flat angles P-C4'-P energy: -11.382 tors. eta vs tors. theta energy: -13.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -64.996627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.996627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.996627 (E_RNA) where: Base-Base interactions energy: -28.246 where: short stacking energy: -18.674 Base-Backbone interact. energy: 1.249 local terms energy: -37.999757 where: bonds (distance) C4'-P energy: -10.676 bonds (distance) P-C4' energy: -9.659 flat angles C4'-P-C4' energy: -11.142 flat angles P-C4'-P energy: -7.432 tors. eta vs tors. theta energy: 0.910 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: 8 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -66.433146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.433146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.433146 (E_RNA) where: Base-Base interactions energy: -22.933 where: short stacking energy: -22.933 Base-Backbone interact. energy: -0.264 local terms energy: -43.236147 where: bonds (distance) C4'-P energy: -14.377 bonds (distance) P-C4' energy: -11.246 flat angles C4'-P-C4' energy: -6.016 flat angles P-C4'-P energy: -7.881 tors. eta vs tors. theta energy: -3.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -201.402336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.402336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.402336 (E_RNA) where: Base-Base interactions energy: -144.686 where: short stacking energy: -59.487 Base-Backbone interact. energy: -0.140 local terms energy: -56.576289 where: bonds (distance) C4'-P energy: -9.223 bonds (distance) P-C4' energy: -9.853 flat angles C4'-P-C4' energy: -15.246 flat angles P-C4'-P energy: -2.965 tors. eta vs tors. theta energy: -19.288 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: 10 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -203.007176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.007176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.007176 (E_RNA) where: Base-Base interactions energy: -140.160 where: short stacking energy: -60.550 Base-Backbone interact. energy: -0.011 local terms energy: -62.835839 where: bonds (distance) C4'-P energy: -12.948 bonds (distance) P-C4' energy: -12.383 flat angles C4'-P-C4' energy: -12.319 flat angles P-C4'-P energy: -8.884 tors. eta vs tors. theta energy: -16.302 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: 3, replica: 9 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -191.755438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.755438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.755438 (E_RNA) where: Base-Base interactions energy: -131.947 where: short stacking energy: -58.549 Base-Backbone interact. energy: -0.003 local terms energy: -59.804621 where: bonds (distance) C4'-P energy: -12.522 bonds (distance) P-C4' energy: -10.794 flat angles C4'-P-C4' energy: -11.872 flat angles P-C4'-P energy: -9.305 tors. eta vs tors. theta energy: -15.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -196.264827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.264827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.264827 (E_RNA) where: Base-Base interactions energy: -136.023 where: short stacking energy: -57.564 Base-Backbone interact. energy: 0.484 local terms energy: -60.726034 where: bonds (distance) C4'-P energy: -7.460 bonds (distance) P-C4' energy: -13.783 flat angles C4'-P-C4' energy: -14.109 flat angles P-C4'-P energy: -10.703 tors. eta vs tors. theta energy: -14.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -193.956436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.956436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.956436 (E_RNA) where: Base-Base interactions energy: -137.729 where: short stacking energy: -56.534 Base-Backbone interact. energy: -0.042 local terms energy: -56.185662 where: bonds (distance) C4'-P energy: -12.216 bonds (distance) P-C4' energy: -12.128 flat angles C4'-P-C4' energy: -10.815 flat angles P-C4'-P energy: -5.414 tors. eta vs tors. theta energy: -15.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -188.752953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.752953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.752953 (E_RNA) where: Base-Base interactions energy: -126.162 where: short stacking energy: -56.429 Base-Backbone interact. energy: -0.009 local terms energy: -62.581655 where: bonds (distance) C4'-P energy: -11.880 bonds (distance) P-C4' energy: -13.991 flat angles C4'-P-C4' energy: -11.682 flat angles P-C4'-P energy: -9.819 tors. eta vs tors. theta energy: -15.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -181.259145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.259145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.259145 (E_RNA) where: Base-Base interactions energy: -121.463 where: short stacking energy: -51.471 Base-Backbone interact. energy: -0.533 local terms energy: -59.263291 where: bonds (distance) C4'-P energy: -10.204 bonds (distance) P-C4' energy: -12.398 flat angles C4'-P-C4' energy: -12.503 flat angles P-C4'-P energy: -7.837 tors. eta vs tors. theta energy: -16.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -177.595836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.595836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.595836 (E_RNA) where: Base-Base interactions energy: -121.422 where: short stacking energy: -42.239 Base-Backbone interact. energy: -0.002 local terms energy: -56.172036 where: bonds (distance) C4'-P energy: -12.493 bonds (distance) P-C4' energy: -12.274 flat angles C4'-P-C4' energy: -10.557 flat angles P-C4'-P energy: -7.670 tors. eta vs tors. theta energy: -13.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -64.595318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.595318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.595318 (E_RNA) where: Base-Base interactions energy: -17.810 where: short stacking energy: -17.810 Base-Backbone interact. energy: -0.011 local terms energy: -46.774389 where: bonds (distance) C4'-P energy: -10.813 bonds (distance) P-C4' energy: -13.579 flat angles C4'-P-C4' energy: -12.891 flat angles P-C4'-P energy: -6.795 tors. eta vs tors. theta energy: -2.698 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: 8 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -74.292822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.292822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.292822 (E_RNA) where: Base-Base interactions energy: -33.403 where: short stacking energy: -18.395 Base-Backbone interact. energy: -0.211 local terms energy: -40.679123 where: bonds (distance) C4'-P energy: -8.296 bonds (distance) P-C4' energy: -9.271 flat angles C4'-P-C4' energy: -11.565 flat angles P-C4'-P energy: -9.657 tors. eta vs tors. theta energy: -1.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -207.821702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.821702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.821702 (E_RNA) where: Base-Base interactions energy: -145.162 where: short stacking energy: -60.360 Base-Backbone interact. energy: -0.042 local terms energy: -62.618415 where: bonds (distance) C4'-P energy: -12.286 bonds (distance) P-C4' energy: -13.073 flat angles C4'-P-C4' energy: -12.589 flat angles P-C4'-P energy: -10.608 tors. eta vs tors. theta energy: -14.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -201.683735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.683735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.683735 (E_RNA) where: Base-Base interactions energy: -137.406 where: short stacking energy: -59.052 Base-Backbone interact. energy: -0.007 local terms energy: -64.271219 where: bonds (distance) C4'-P energy: -14.563 bonds (distance) P-C4' energy: -12.825 flat angles C4'-P-C4' energy: -14.434 flat angles P-C4'-P energy: -6.666 tors. eta vs tors. theta energy: -15.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -194.631775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.631775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.631775 (E_RNA) where: Base-Base interactions energy: -133.007 where: short stacking energy: -57.872 Base-Backbone interact. energy: 0.020 local terms energy: -61.644296 where: bonds (distance) C4'-P energy: -11.760 bonds (distance) P-C4' energy: -8.608 flat angles C4'-P-C4' energy: -11.961 flat angles P-C4'-P energy: -12.099 tors. eta vs tors. theta energy: -17.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -190.424739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.424739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.424739 (E_RNA) where: Base-Base interactions energy: -129.984 where: short stacking energy: -52.451 Base-Backbone interact. energy: -0.351 local terms energy: -60.090170 where: bonds (distance) C4'-P energy: -9.496 bonds (distance) P-C4' energy: -12.662 flat angles C4'-P-C4' energy: -12.707 flat angles P-C4'-P energy: -9.708 tors. eta vs tors. theta energy: -15.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -188.712480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.712480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.712480 (E_RNA) where: Base-Base interactions energy: -131.366 where: short stacking energy: -55.093 Base-Backbone interact. energy: -0.021 local terms energy: -57.325518 where: bonds (distance) C4'-P energy: -10.544 bonds (distance) P-C4' energy: -12.458 flat angles C4'-P-C4' energy: -10.226 flat angles P-C4'-P energy: -6.906 tors. eta vs tors. theta energy: -17.192 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: 2 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -185.559841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.559841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.559841 (E_RNA) where: Base-Base interactions energy: -126.405 where: short stacking energy: -57.167 Base-Backbone interact. energy: -0.002 local terms energy: -59.152571 where: bonds (distance) C4'-P energy: -9.909 bonds (distance) P-C4' energy: -11.654 flat angles C4'-P-C4' energy: -10.192 flat angles P-C4'-P energy: -9.427 tors. eta vs tors. theta energy: -17.971 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: 7, replica: 5 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -171.659836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.659836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.659836 (E_RNA) where: Base-Base interactions energy: -122.299 where: short stacking energy: -47.190 Base-Backbone interact. energy: -0.173 local terms energy: -49.188170 where: bonds (distance) C4'-P energy: -11.719 bonds (distance) P-C4' energy: -10.358 flat angles C4'-P-C4' energy: -7.076 flat angles P-C4'-P energy: -9.549 tors. eta vs tors. theta energy: -10.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -167.966165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.966165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.966165 (E_RNA) where: Base-Base interactions energy: -112.494 where: short stacking energy: -44.207 Base-Backbone interact. energy: -0.101 local terms energy: -55.371262 where: bonds (distance) C4'-P energy: -11.001 bonds (distance) P-C4' energy: -14.864 flat angles C4'-P-C4' energy: -9.754 flat angles P-C4'-P energy: -10.788 tors. eta vs tors. theta energy: -8.963 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: 8 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -72.431601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.431601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.431601 (E_RNA) where: Base-Base interactions energy: -30.237 where: short stacking energy: -22.866 Base-Backbone interact. energy: -0.154 local terms energy: -42.039801 where: bonds (distance) C4'-P energy: -8.386 bonds (distance) P-C4' energy: -12.627 flat angles C4'-P-C4' energy: -13.348 flat angles P-C4'-P energy: -5.997 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: 3 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -58.988094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.988094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.988094 (E_RNA) where: Base-Base interactions energy: -21.349 where: short stacking energy: -21.349 Base-Backbone interact. energy: -0.117 local terms energy: -37.521892 where: bonds (distance) C4'-P energy: -9.228 bonds (distance) P-C4' energy: -11.737 flat angles C4'-P-C4' energy: -7.719 flat angles P-C4'-P energy: -1.943 tors. eta vs tors. theta energy: -6.895 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: 1, replica: 7 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -205.542850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.542850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.542850 (E_RNA) where: Base-Base interactions energy: -136.255 where: short stacking energy: -58.292 Base-Backbone interact. energy: -1.054 local terms energy: -68.233670 where: bonds (distance) C4'-P energy: -13.834 bonds (distance) P-C4' energy: -14.879 flat angles C4'-P-C4' energy: -12.051 flat angles P-C4'-P energy: -11.031 tors. eta vs tors. theta energy: -16.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -200.047120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.047120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.047120 (E_RNA) where: Base-Base interactions energy: -147.387 where: short stacking energy: -57.243 Base-Backbone interact. energy: -0.039 local terms energy: -52.620941 where: bonds (distance) C4'-P energy: -10.778 bonds (distance) P-C4' energy: -12.475 flat angles C4'-P-C4' energy: -7.327 flat angles P-C4'-P energy: -8.878 tors. eta vs tors. theta energy: -13.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -193.664804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.664804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.664804 (E_RNA) where: Base-Base interactions energy: -132.912 where: short stacking energy: -53.343 Base-Backbone interact. energy: -0.117 local terms energy: -60.635786 where: bonds (distance) C4'-P energy: -12.274 bonds (distance) P-C4' energy: -13.079 flat angles C4'-P-C4' energy: -11.325 flat angles P-C4'-P energy: -6.507 tors. eta vs tors. theta energy: -17.451 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: 371 Temperature: 1.050000 Total energy: -191.073980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.073980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.073980 (E_RNA) where: Base-Base interactions energy: -132.624 where: short stacking energy: -52.950 Base-Backbone interact. energy: 0.460 local terms energy: -58.910562 where: bonds (distance) C4'-P energy: -10.547 bonds (distance) P-C4' energy: -12.352 flat angles C4'-P-C4' energy: -12.950 flat angles P-C4'-P energy: -9.825 tors. eta vs tors. theta energy: -13.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -186.434554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.434554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.434554 (E_RNA) where: Base-Base interactions energy: -127.132 where: short stacking energy: -51.428 Base-Backbone interact. energy: -0.008 local terms energy: -59.294144 where: bonds (distance) C4'-P energy: -10.915 bonds (distance) P-C4' energy: -12.926 flat angles C4'-P-C4' energy: -11.529 flat angles P-C4'-P energy: -8.163 tors. eta vs tors. theta energy: -15.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -190.881916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.881916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.881916 (E_RNA) where: Base-Base interactions energy: -128.548 where: short stacking energy: -55.813 Base-Backbone interact. energy: -0.001 local terms energy: -62.333161 where: bonds (distance) C4'-P energy: -11.102 bonds (distance) P-C4' energy: -12.982 flat angles C4'-P-C4' energy: -13.233 flat angles P-C4'-P energy: -7.831 tors. eta vs tors. theta energy: -17.185 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: 2 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -172.812759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.812759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.812759 (E_RNA) where: Base-Base interactions energy: -121.121 where: short stacking energy: -46.755 Base-Backbone interact. energy: -0.286 local terms energy: -51.406203 where: bonds (distance) C4'-P energy: -10.420 bonds (distance) P-C4' energy: -9.951 flat angles C4'-P-C4' energy: -10.725 flat angles P-C4'-P energy: -9.242 tors. eta vs tors. theta energy: -11.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -168.101740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.101740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.101740 (E_RNA) where: Base-Base interactions energy: -113.193 where: short stacking energy: -49.803 Base-Backbone interact. energy: -0.014 local terms energy: -54.894088 where: bonds (distance) C4'-P energy: -9.980 bonds (distance) P-C4' energy: -10.070 flat angles C4'-P-C4' energy: -14.430 flat angles P-C4'-P energy: -7.454 tors. eta vs tors. theta energy: -12.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -85.473087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.473087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.473087 (E_RNA) where: Base-Base interactions energy: -39.465 where: short stacking energy: -24.085 Base-Backbone interact. energy: -0.072 local terms energy: -45.935883 where: bonds (distance) C4'-P energy: -13.246 bonds (distance) P-C4' energy: -13.637 flat angles C4'-P-C4' energy: -11.539 flat angles P-C4'-P energy: -2.906 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: 3 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -75.263657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.263657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.263657 (E_RNA) where: Base-Base interactions energy: -25.699 where: short stacking energy: -23.609 Base-Backbone interact. energy: -0.009 local terms energy: -49.556002 where: bonds (distance) C4'-P energy: -12.956 bonds (distance) P-C4' energy: -14.069 flat angles C4'-P-C4' energy: -12.094 flat angles P-C4'-P energy: -8.779 tors. eta vs tors. theta energy: -1.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -191.689444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.689444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.689444 (E_RNA) where: Base-Base interactions energy: -135.894 where: short stacking energy: -44.020 Base-Backbone interact. energy: -0.262 local terms energy: -55.533442 where: bonds (distance) C4'-P energy: -9.219 bonds (distance) P-C4' energy: -13.472 flat angles C4'-P-C4' energy: -13.704 flat angles P-C4'-P energy: -7.481 tors. eta vs tors. theta energy: -11.657 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: 7 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -204.733091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.733091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.733091 (E_RNA) where: Base-Base interactions energy: -144.194 where: short stacking energy: -60.864 Base-Backbone interact. energy: -0.001 local terms energy: -60.537822 where: bonds (distance) C4'-P energy: -11.918 bonds (distance) P-C4' energy: -11.250 flat angles C4'-P-C4' energy: -13.380 flat angles P-C4'-P energy: -8.082 tors. eta vs tors. theta energy: -15.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -195.295259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.295259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.295259 (E_RNA) where: Base-Base interactions energy: -135.204 where: short stacking energy: -57.792 Base-Backbone interact. energy: -0.055 local terms energy: -60.036405 where: bonds (distance) C4'-P energy: -10.398 bonds (distance) P-C4' energy: -13.702 flat angles C4'-P-C4' energy: -13.296 flat angles P-C4'-P energy: -6.521 tors. eta vs tors. theta energy: -16.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -200.436191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.436191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.436191 (E_RNA) where: Base-Base interactions energy: -140.736 where: short stacking energy: -60.190 Base-Backbone interact. energy: -0.101 local terms energy: -59.599992 where: bonds (distance) C4'-P energy: -10.361 bonds (distance) P-C4' energy: -12.355 flat angles C4'-P-C4' energy: -13.817 flat angles P-C4'-P energy: -7.577 tors. eta vs tors. theta energy: -15.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -184.202168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.202168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.202168 (E_RNA) where: Base-Base interactions energy: -127.686 where: short stacking energy: -47.088 Base-Backbone interact. energy: -0.012 local terms energy: -56.504099 where: bonds (distance) C4'-P energy: -10.506 bonds (distance) P-C4' energy: -11.414 flat angles C4'-P-C4' energy: -13.166 flat angles P-C4'-P energy: -8.037 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: 6, replica: 1 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -184.932154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.932154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.932154 (E_RNA) where: Base-Base interactions energy: -127.542 where: short stacking energy: -55.494 Base-Backbone interact. energy: -0.004 local terms energy: -57.386099 where: bonds (distance) C4'-P energy: -11.595 bonds (distance) P-C4' energy: -11.972 flat angles C4'-P-C4' energy: -10.799 flat angles P-C4'-P energy: -4.603 tors. eta vs tors. theta energy: -18.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -175.411253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.411253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.411253 (E_RNA) where: Base-Base interactions energy: -124.986 where: short stacking energy: -57.723 Base-Backbone interact. energy: -0.000 local terms energy: -50.425449 where: bonds (distance) C4'-P energy: -12.254 bonds (distance) P-C4' energy: -9.513 flat angles C4'-P-C4' energy: -8.443 flat angles P-C4'-P energy: -7.220 tors. eta vs tors. theta energy: -12.995 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: 2 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -168.209635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.209635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.209635 (E_RNA) where: Base-Base interactions energy: -124.520 where: short stacking energy: -47.467 Base-Backbone interact. energy: -0.728 local terms energy: -42.962079 where: bonds (distance) C4'-P energy: -6.824 bonds (distance) P-C4' energy: -12.190 flat angles C4'-P-C4' energy: -13.286 flat angles P-C4'-P energy: -3.201 tors. eta vs tors. theta energy: -7.460 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: 3 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -79.004509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.004509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.004509 (E_RNA) where: Base-Base interactions energy: -39.660 where: short stacking energy: -27.819 Base-Backbone interact. energy: -0.182 local terms energy: -39.162403 where: bonds (distance) C4'-P energy: -9.863 bonds (distance) P-C4' energy: -10.022 flat angles C4'-P-C4' energy: -10.230 flat angles P-C4'-P energy: -7.635 tors. eta vs tors. theta energy: -1.412 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: 10, replica: 8 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -68.288927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.288927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.288927 (E_RNA) where: Base-Base interactions energy: -22.640 where: short stacking energy: -22.640 Base-Backbone interact. energy: -0.011 local terms energy: -45.638152 where: bonds (distance) C4'-P energy: -10.733 bonds (distance) P-C4' energy: -13.935 flat angles C4'-P-C4' energy: -9.624 flat angles P-C4'-P energy: -5.856 tors. eta vs tors. theta energy: -5.490 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: 1, replica: 6 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -199.156868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.156868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.156868 (E_RNA) where: Base-Base interactions energy: -134.155 where: short stacking energy: -65.058 Base-Backbone interact. energy: -0.002 local terms energy: -65.000671 where: bonds (distance) C4'-P energy: -12.253 bonds (distance) P-C4' energy: -14.206 flat angles C4'-P-C4' energy: -13.501 flat angles P-C4'-P energy: -9.138 tors. eta vs tors. theta energy: -15.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -204.422306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.422306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.422306 (E_RNA) where: Base-Base interactions energy: -140.147 where: short stacking energy: -58.652 Base-Backbone interact. energy: -0.001 local terms energy: -64.274831 where: bonds (distance) C4'-P energy: -12.453 bonds (distance) P-C4' energy: -11.932 flat angles C4'-P-C4' energy: -13.934 flat angles P-C4'-P energy: -9.935 tors. eta vs tors. theta energy: -16.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -194.935838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.935838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.935838 (E_RNA) where: Base-Base interactions energy: -136.933 where: short stacking energy: -54.509 Base-Backbone interact. energy: -0.002 local terms energy: -58.001070 where: bonds (distance) C4'-P energy: -8.055 bonds (distance) P-C4' energy: -13.290 flat angles C4'-P-C4' energy: -14.163 flat angles P-C4'-P energy: -7.661 tors. eta vs tors. theta energy: -14.831 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: 10 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -191.951534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.951534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.951534 (E_RNA) where: Base-Base interactions energy: -128.842 where: short stacking energy: -51.144 Base-Backbone interact. energy: -0.791 local terms energy: -62.317691 where: bonds (distance) C4'-P energy: -13.922 bonds (distance) P-C4' energy: -12.331 flat angles C4'-P-C4' energy: -11.487 flat angles P-C4'-P energy: -8.784 tors. eta vs tors. theta energy: -15.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -185.438672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.438672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.438672 (E_RNA) where: Base-Base interactions energy: -122.936 where: short stacking energy: -51.569 Base-Backbone interact. energy: -0.009 local terms energy: -62.493408 where: bonds (distance) C4'-P energy: -12.360 bonds (distance) P-C4' energy: -11.746 flat angles C4'-P-C4' energy: -13.100 flat angles P-C4'-P energy: -7.487 tors. eta vs tors. theta energy: -17.799 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: 6, replica: 4 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -176.635470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.635470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.635470 (E_RNA) where: Base-Base interactions energy: -117.954 where: short stacking energy: -52.906 Base-Backbone interact. energy: -0.177 local terms energy: -58.505323 where: bonds (distance) C4'-P energy: -8.714 bonds (distance) P-C4' energy: -12.122 flat angles C4'-P-C4' energy: -11.603 flat angles P-C4'-P energy: -10.674 tors. eta vs tors. theta energy: -15.392 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: 1 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -174.851474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.851474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.851474 (E_RNA) where: Base-Base interactions energy: -123.088 where: short stacking energy: -58.758 Base-Backbone interact. energy: -0.575 local terms energy: -51.189141 where: bonds (distance) C4'-P energy: -12.395 bonds (distance) P-C4' energy: -4.556 flat angles C4'-P-C4' energy: -12.793 flat angles P-C4'-P energy: -7.834 tors. eta vs tors. theta energy: -13.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -83.263471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.263471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.263471 (E_RNA) where: Base-Base interactions energy: -32.998 where: short stacking energy: -33.648 Base-Backbone interact. energy: -0.028 local terms energy: -50.237341 where: bonds (distance) C4'-P energy: -12.199 bonds (distance) P-C4' energy: -10.842 flat angles C4'-P-C4' energy: -11.665 flat angles P-C4'-P energy: -4.101 tors. eta vs tors. theta energy: -11.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -164.189041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.189041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.189041 (E_RNA) where: Base-Base interactions energy: -110.466 where: short stacking energy: -46.331 Base-Backbone interact. energy: -0.166 local terms energy: -53.557487 where: bonds (distance) C4'-P energy: -12.403 bonds (distance) P-C4' energy: -12.000 flat angles C4'-P-C4' energy: -12.572 flat angles P-C4'-P energy: -7.172 tors. eta vs tors. theta energy: -9.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -66.170004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.170004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.170004 (E_RNA) where: Base-Base interactions energy: -24.198 where: short stacking energy: -20.456 Base-Backbone interact. energy: -0.028 local terms energy: -41.944253 where: bonds (distance) C4'-P energy: -11.930 bonds (distance) P-C4' energy: -6.542 flat angles C4'-P-C4' energy: -10.842 flat angles P-C4'-P energy: -7.617 tors. eta vs tors. theta energy: -5.012 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: 7 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -209.002493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.002493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.002493 (E_RNA) where: Base-Base interactions energy: -146.871 where: short stacking energy: -64.660 Base-Backbone interact. energy: 0.276 local terms energy: -62.406555 where: bonds (distance) C4'-P energy: -12.537 bonds (distance) P-C4' energy: -12.574 flat angles C4'-P-C4' energy: -10.044 flat angles P-C4'-P energy: -9.937 tors. eta vs tors. theta energy: -17.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -188.389172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.389172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.389172 (E_RNA) where: Base-Base interactions energy: -130.259 where: short stacking energy: -54.051 Base-Backbone interact. energy: -0.133 local terms energy: -57.997424 where: bonds (distance) C4'-P energy: -11.235 bonds (distance) P-C4' energy: -11.726 flat angles C4'-P-C4' energy: -11.601 flat angles P-C4'-P energy: -7.855 tors. eta vs tors. theta energy: -15.581 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: 10 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -195.426805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.426805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.426805 (E_RNA) where: Base-Base interactions energy: -131.403 where: short stacking energy: -60.433 Base-Backbone interact. energy: -0.001 local terms energy: -64.023360 where: bonds (distance) C4'-P energy: -10.635 bonds (distance) P-C4' energy: -11.282 flat angles C4'-P-C4' energy: -14.834 flat angles P-C4'-P energy: -11.359 tors. eta vs tors. theta energy: -15.914 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: 4, replica: 9 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -190.724584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.724584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.724584 (E_RNA) where: Base-Base interactions energy: -129.122 where: short stacking energy: -53.023 Base-Backbone interact. energy: -0.002 local terms energy: -61.601121 where: bonds (distance) C4'-P energy: -10.062 bonds (distance) P-C4' energy: -13.598 flat angles C4'-P-C4' energy: -13.592 flat angles P-C4'-P energy: -9.170 tors. eta vs tors. theta energy: -15.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -176.289107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.289107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.289107 (E_RNA) where: Base-Base interactions energy: -123.641 where: short stacking energy: -48.431 Base-Backbone interact. energy: -0.048 local terms energy: -52.600510 where: bonds (distance) C4'-P energy: -11.152 bonds (distance) P-C4' energy: -13.515 flat angles C4'-P-C4' energy: -11.925 flat angles P-C4'-P energy: -2.089 tors. eta vs tors. theta energy: -13.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -181.421944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.421944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.421944 (E_RNA) where: Base-Base interactions energy: -120.803 where: short stacking energy: -50.900 Base-Backbone interact. energy: 1.006 local terms energy: -61.625006 where: bonds (distance) C4'-P energy: -13.653 bonds (distance) P-C4' energy: -12.827 flat angles C4'-P-C4' energy: -9.349 flat angles P-C4'-P energy: -9.863 tors. eta vs tors. theta energy: -15.933 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: 1 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -184.277967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.277967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.277967 (E_RNA) where: Base-Base interactions energy: -130.234 where: short stacking energy: -57.263 Base-Backbone interact. energy: -0.011 local terms energy: -54.033142 where: bonds (distance) C4'-P energy: -7.678 bonds (distance) P-C4' energy: -10.377 flat angles C4'-P-C4' energy: -12.157 flat angles P-C4'-P energy: -5.261 tors. eta vs tors. theta energy: -18.560 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: 3 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -66.357851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.357851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.357851 (E_RNA) where: Base-Base interactions energy: -27.426 where: short stacking energy: -19.829 Base-Backbone interact. energy: -0.234 local terms energy: -38.698585 where: bonds (distance) C4'-P energy: -9.959 bonds (distance) P-C4' energy: -14.060 flat angles C4'-P-C4' energy: -7.089 flat angles P-C4'-P energy: -10.230 tors. eta vs tors. theta energy: 2.641 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: 2 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -168.581625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.581625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.581625 (E_RNA) where: Base-Base interactions energy: -114.420 where: short stacking energy: -50.899 Base-Backbone interact. energy: -0.008 local terms energy: -54.153569 where: bonds (distance) C4'-P energy: -9.923 bonds (distance) P-C4' energy: -9.244 flat angles C4'-P-C4' energy: -11.424 flat angles P-C4'-P energy: -10.078 tors. eta vs tors. theta energy: -13.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -61.014668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.014668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.014668 (E_RNA) where: Base-Base interactions energy: -21.375 where: short stacking energy: -17.854 Base-Backbone interact. energy: 0.565 local terms energy: -40.205563 where: bonds (distance) C4'-P energy: -8.369 bonds (distance) P-C4' energy: -14.377 flat angles C4'-P-C4' energy: -10.197 flat angles P-C4'-P energy: -5.623 tors. eta vs tors. theta energy: -1.641 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: 1, replica: 7 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -205.236143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.236143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.236143 (E_RNA) where: Base-Base interactions energy: -140.619 where: short stacking energy: -57.944 Base-Backbone interact. energy: -0.007 local terms energy: -64.609991 where: bonds (distance) C4'-P energy: -13.408 bonds (distance) P-C4' energy: -13.476 flat angles C4'-P-C4' energy: -12.926 flat angles P-C4'-P energy: -8.679 tors. eta vs tors. theta energy: -16.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -190.121695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.121695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.121695 (E_RNA) where: Base-Base interactions energy: -129.679 where: short stacking energy: -59.549 Base-Backbone interact. energy: -0.001 local terms energy: -60.440987 where: bonds (distance) C4'-P energy: -7.964 bonds (distance) P-C4' energy: -11.872 flat angles C4'-P-C4' energy: -14.013 flat angles P-C4'-P energy: -10.438 tors. eta vs tors. theta energy: -16.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -197.830431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.830431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.830431 (E_RNA) where: Base-Base interactions energy: -134.814 where: short stacking energy: -58.940 Base-Backbone interact. energy: -0.010 local terms energy: -63.006140 where: bonds (distance) C4'-P energy: -10.573 bonds (distance) P-C4' energy: -14.084 flat angles C4'-P-C4' energy: -13.534 flat angles P-C4'-P energy: -9.740 tors. eta vs tors. theta energy: -15.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -192.663951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.663951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.663951 (E_RNA) where: Base-Base interactions energy: -126.744 where: short stacking energy: -52.242 Base-Backbone interact. energy: -0.050 local terms energy: -65.870504 where: bonds (distance) C4'-P energy: -11.773 bonds (distance) P-C4' energy: -10.658 flat angles C4'-P-C4' energy: -13.655 flat angles P-C4'-P energy: -11.466 tors. eta vs tors. theta energy: -18.319 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: 5 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -185.653524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.653524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.653524 (E_RNA) where: Base-Base interactions energy: -127.637 where: short stacking energy: -53.949 Base-Backbone interact. energy: -0.012 local terms energy: -58.003918 where: bonds (distance) C4'-P energy: -10.655 bonds (distance) P-C4' energy: -12.764 flat angles C4'-P-C4' energy: -11.505 flat angles P-C4'-P energy: -8.058 tors. eta vs tors. theta energy: -15.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -189.937430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.937430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.937430 (E_RNA) where: Base-Base interactions energy: -130.373 where: short stacking energy: -56.462 Base-Backbone interact. energy: 1.786 local terms energy: -61.349975 where: bonds (distance) C4'-P energy: -13.560 bonds (distance) P-C4' energy: -11.527 flat angles C4'-P-C4' energy: -14.441 flat angles P-C4'-P energy: -8.895 tors. eta vs tors. theta energy: -12.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -178.362153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.362153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.362153 (E_RNA) where: Base-Base interactions energy: -126.348 where: short stacking energy: -48.507 Base-Backbone interact. energy: -0.107 local terms energy: -51.907008 where: bonds (distance) C4'-P energy: -10.778 bonds (distance) P-C4' energy: -9.479 flat angles C4'-P-C4' energy: -12.420 flat angles P-C4'-P energy: -5.479 tors. eta vs tors. theta energy: -13.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -173.371084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.371084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.371084 (E_RNA) where: Base-Base interactions energy: -117.582 where: short stacking energy: -40.246 Base-Backbone interact. energy: -0.078 local terms energy: -55.710587 where: bonds (distance) C4'-P energy: -12.349 bonds (distance) P-C4' energy: -13.386 flat angles C4'-P-C4' energy: -13.325 flat angles P-C4'-P energy: -6.537 tors. eta vs tors. theta energy: -10.115 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: 3 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -67.144435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.144435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.144435 (E_RNA) where: Base-Base interactions energy: -31.722 where: short stacking energy: -27.242 Base-Backbone interact. energy: -0.336 local terms energy: -35.086004 where: bonds (distance) C4'-P energy: -10.957 bonds (distance) P-C4' energy: -6.809 flat angles C4'-P-C4' energy: -12.936 flat angles P-C4'-P energy: -5.373 tors. eta vs tors. theta energy: 0.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -68.610832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.610832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.610832 (E_RNA) where: Base-Base interactions energy: -27.860 where: short stacking energy: -20.885 Base-Backbone interact. energy: -1.350 local terms energy: -39.400509 where: bonds (distance) C4'-P energy: -9.243 bonds (distance) P-C4' energy: -12.074 flat angles C4'-P-C4' energy: -10.538 flat angles P-C4'-P energy: -6.638 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: 7 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -201.178646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.178646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.178646 (E_RNA) where: Base-Base interactions energy: -135.192 where: short stacking energy: -56.904 Base-Backbone interact. energy: -0.000 local terms energy: -65.986376 where: bonds (distance) C4'-P energy: -12.308 bonds (distance) P-C4' energy: -12.541 flat angles C4'-P-C4' energy: -14.554 flat angles P-C4'-P energy: -9.566 tors. eta vs tors. theta energy: -17.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -188.822910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.822910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.822910 (E_RNA) where: Base-Base interactions energy: -142.629 where: short stacking energy: -54.621 Base-Backbone interact. energy: -0.016 local terms energy: -46.177637 where: bonds (distance) C4'-P energy: -9.678 bonds (distance) P-C4' energy: -7.540 flat angles C4'-P-C4' energy: -7.133 flat angles P-C4'-P energy: -8.537 tors. eta vs tors. theta energy: -13.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -201.814699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.814699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.814699 (E_RNA) where: Base-Base interactions energy: -137.421 where: short stacking energy: -61.300 Base-Backbone interact. energy: -0.001 local terms energy: -64.393265 where: bonds (distance) C4'-P energy: -11.985 bonds (distance) P-C4' energy: -14.297 flat angles C4'-P-C4' energy: -14.665 flat angles P-C4'-P energy: -10.098 tors. eta vs tors. theta energy: -13.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -202.313971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.313971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.313971 (E_RNA) where: Base-Base interactions energy: -135.688 where: short stacking energy: -58.726 Base-Backbone interact. energy: -0.002 local terms energy: -66.623525 where: bonds (distance) C4'-P energy: -12.145 bonds (distance) P-C4' energy: -14.864 flat angles C4'-P-C4' energy: -13.571 flat angles P-C4'-P energy: -9.335 tors. eta vs tors. theta energy: -16.708 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: 1 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -198.970777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.970777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.970777 (E_RNA) where: Base-Base interactions energy: -138.907 where: short stacking energy: -57.720 Base-Backbone interact. energy: 0.652 local terms energy: -60.715988 where: bonds (distance) C4'-P energy: -13.193 bonds (distance) P-C4' energy: -14.557 flat angles C4'-P-C4' energy: -11.861 flat angles P-C4'-P energy: -5.616 tors. eta vs tors. theta energy: -15.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -178.284259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.284259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.284259 (E_RNA) where: Base-Base interactions energy: -116.841 where: short stacking energy: -49.994 Base-Backbone interact. energy: -0.009 local terms energy: -61.433773 where: bonds (distance) C4'-P energy: -12.858 bonds (distance) P-C4' energy: -13.058 flat angles C4'-P-C4' energy: -11.191 flat angles P-C4'-P energy: -8.614 tors. eta vs tors. theta energy: -15.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -168.001689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.001689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.001689 (E_RNA) where: Base-Base interactions energy: -113.607 where: short stacking energy: -50.596 Base-Backbone interact. energy: -0.014 local terms energy: -54.380843 where: bonds (distance) C4'-P energy: -14.066 bonds (distance) P-C4' energy: -12.733 flat angles C4'-P-C4' energy: -11.054 flat angles P-C4'-P energy: -8.630 tors. eta vs tors. theta energy: -7.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -176.766805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.766805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.766805 (E_RNA) where: Base-Base interactions energy: -121.038 where: short stacking energy: -51.440 Base-Backbone interact. energy: -0.042 local terms energy: -55.686756 where: bonds (distance) C4'-P energy: -7.414 bonds (distance) P-C4' energy: -12.920 flat angles C4'-P-C4' energy: -11.938 flat angles P-C4'-P energy: -8.760 tors. eta vs tors. theta energy: -14.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -69.167290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.167290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.167290 (E_RNA) where: Base-Base interactions energy: -32.197 where: short stacking energy: -30.698 Base-Backbone interact. energy: -0.070 local terms energy: -36.900548 where: bonds (distance) C4'-P energy: -11.341 bonds (distance) P-C4' energy: -9.042 flat angles C4'-P-C4' energy: -5.434 flat angles P-C4'-P energy: -7.390 tors. eta vs tors. theta energy: -3.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -63.530009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.530009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.530009 (E_RNA) where: Base-Base interactions energy: -26.052 where: short stacking energy: -26.052 Base-Backbone interact. energy: -0.028 local terms energy: -37.449800 where: bonds (distance) C4'-P energy: -6.850 bonds (distance) P-C4' energy: -8.476 flat angles C4'-P-C4' energy: -11.431 flat angles P-C4'-P energy: -8.736 tors. eta vs tors. theta energy: -1.957 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: 377 Temperature: 0.900000 Total energy: -203.869358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.869358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.869358 (E_RNA) where: Base-Base interactions energy: -138.786 where: short stacking energy: -59.076 Base-Backbone interact. energy: 0.016 local terms energy: -65.099335 where: bonds (distance) C4'-P energy: -14.741 bonds (distance) P-C4' energy: -11.408 flat angles C4'-P-C4' energy: -14.666 flat angles P-C4'-P energy: -9.112 tors. eta vs tors. theta energy: -15.173 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: 10 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -206.835191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.835191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.835191 (E_RNA) where: Base-Base interactions energy: -141.490 where: short stacking energy: -61.449 Base-Backbone interact. energy: -0.005 local terms energy: -65.340378 where: bonds (distance) C4'-P energy: -12.857 bonds (distance) P-C4' energy: -13.907 flat angles C4'-P-C4' energy: -12.487 flat angles P-C4'-P energy: -9.451 tors. eta vs tors. theta energy: -16.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -185.595383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.595383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.595383 (E_RNA) where: Base-Base interactions energy: -131.546 where: short stacking energy: -49.091 Base-Backbone interact. energy: 0.433 local terms energy: -54.482637 where: bonds (distance) C4'-P energy: -8.155 bonds (distance) P-C4' energy: -13.086 flat angles C4'-P-C4' energy: -10.673 flat angles P-C4'-P energy: -8.828 tors. eta vs tors. theta energy: -13.740 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: 377 Temperature: 1.050000 Total energy: -193.654853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.654853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.654853 (E_RNA) where: Base-Base interactions energy: -130.710 where: short stacking energy: -53.719 Base-Backbone interact. energy: -1.054 local terms energy: -61.891282 where: bonds (distance) C4'-P energy: -11.889 bonds (distance) P-C4' energy: -12.849 flat angles C4'-P-C4' energy: -14.452 flat angles P-C4'-P energy: -7.362 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: 5, replica: 9 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -191.555267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.555267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.555267 (E_RNA) where: Base-Base interactions energy: -135.227 where: short stacking energy: -54.612 Base-Backbone interact. energy: -0.004 local terms energy: -56.323530 where: bonds (distance) C4'-P energy: -12.824 bonds (distance) P-C4' energy: -9.307 flat angles C4'-P-C4' energy: -12.400 flat angles P-C4'-P energy: -4.708 tors. eta vs tors. theta energy: -17.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -180.734575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.734575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.734575 (E_RNA) where: Base-Base interactions energy: -129.805 where: short stacking energy: -51.227 Base-Backbone interact. energy: -0.238 local terms energy: -50.691471 where: bonds (distance) C4'-P energy: -13.611 bonds (distance) P-C4' energy: -9.248 flat angles C4'-P-C4' energy: -5.962 flat angles P-C4'-P energy: -7.927 tors. eta vs tors. theta energy: -13.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -181.737271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.737271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.737271 (E_RNA) where: Base-Base interactions energy: -121.474 where: short stacking energy: -57.375 Base-Backbone interact. energy: -0.004 local terms energy: -60.259377 where: bonds (distance) C4'-P energy: -9.707 bonds (distance) P-C4' energy: -10.823 flat angles C4'-P-C4' energy: -12.472 flat angles P-C4'-P energy: -10.168 tors. eta vs tors. theta energy: -17.089 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: 4 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -183.097048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.097048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.097048 (E_RNA) where: Base-Base interactions energy: -126.054 where: short stacking energy: -57.640 Base-Backbone interact. energy: -0.006 local terms energy: -57.037634 where: bonds (distance) C4'-P energy: -9.716 bonds (distance) P-C4' energy: -12.790 flat angles C4'-P-C4' energy: -11.642 flat angles P-C4'-P energy: -7.471 tors. eta vs tors. theta energy: -15.419 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: 8 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -65.159209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.159209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.159209 (E_RNA) where: Base-Base interactions energy: -22.905 where: short stacking energy: -22.905 Base-Backbone interact. energy: -0.002 local terms energy: -42.252181 where: bonds (distance) C4'-P energy: -7.729 bonds (distance) P-C4' energy: -11.769 flat angles C4'-P-C4' energy: -8.003 flat angles P-C4'-P energy: -8.851 tors. eta vs tors. theta energy: -5.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -59.813619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.813619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.813619 (E_RNA) where: Base-Base interactions energy: -19.855 where: short stacking energy: -18.489 Base-Backbone interact. energy: -0.049 local terms energy: -39.909452 where: bonds (distance) C4'-P energy: -11.839 bonds (distance) P-C4' energy: -7.474 flat angles C4'-P-C4' energy: -12.111 flat angles P-C4'-P energy: -7.294 tors. eta vs tors. theta energy: -1.191 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: 10 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -205.578847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.578847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.578847 (E_RNA) where: Base-Base interactions energy: -141.597 where: short stacking energy: -60.208 Base-Backbone interact. energy: -0.002 local terms energy: -63.980425 where: bonds (distance) C4'-P energy: -12.084 bonds (distance) P-C4' energy: -9.592 flat angles C4'-P-C4' energy: -14.452 flat angles P-C4'-P energy: -11.581 tors. eta vs tors. theta energy: -16.271 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: 7 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -199.380396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.380396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.380396 (E_RNA) where: Base-Base interactions energy: -136.068 where: short stacking energy: -58.292 Base-Backbone interact. energy: 0.177 local terms energy: -63.489361 where: bonds (distance) C4'-P energy: -10.054 bonds (distance) P-C4' energy: -13.502 flat angles C4'-P-C4' energy: -14.101 flat angles P-C4'-P energy: -8.624 tors. eta vs tors. theta energy: -17.208 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: 3, replica: 1 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -207.261428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.261428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.261428 (E_RNA) where: Base-Base interactions energy: -144.420 where: short stacking energy: -63.067 Base-Backbone interact. energy: -0.008 local terms energy: -62.832794 where: bonds (distance) C4'-P energy: -13.334 bonds (distance) P-C4' energy: -11.460 flat angles C4'-P-C4' energy: -12.390 flat angles P-C4'-P energy: -8.753 tors. eta vs tors. theta energy: -16.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -184.206135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.206135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.206135 (E_RNA) where: Base-Base interactions energy: -129.919 where: short stacking energy: -48.099 Base-Backbone interact. energy: -0.049 local terms energy: -54.237606 where: bonds (distance) C4'-P energy: -8.551 bonds (distance) P-C4' energy: -12.870 flat angles C4'-P-C4' energy: -11.287 flat angles P-C4'-P energy: -11.247 tors. eta vs tors. theta energy: -10.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -183.007110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.007110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.007110 (E_RNA) where: Base-Base interactions energy: -125.874 where: short stacking energy: -51.741 Base-Backbone interact. energy: -0.005 local terms energy: -57.128052 where: bonds (distance) C4'-P energy: -12.637 bonds (distance) P-C4' energy: -13.078 flat angles C4'-P-C4' energy: -12.028 flat angles P-C4'-P energy: -6.918 tors. eta vs tors. theta energy: -12.467 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: 2 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -170.535926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.535926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.535926 (E_RNA) where: Base-Base interactions energy: -125.652 where: short stacking energy: -47.388 Base-Backbone interact. energy: -0.009 local terms energy: -44.875336 where: bonds (distance) C4'-P energy: -7.236 bonds (distance) P-C4' energy: -12.444 flat angles C4'-P-C4' energy: -8.211 flat angles P-C4'-P energy: -7.817 tors. eta vs tors. theta energy: -9.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -176.633118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.633118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.633118 (E_RNA) where: Base-Base interactions energy: -122.742 where: short stacking energy: -51.989 Base-Backbone interact. energy: -0.010 local terms energy: -53.880710 where: bonds (distance) C4'-P energy: -13.171 bonds (distance) P-C4' energy: -11.859 flat angles C4'-P-C4' energy: -10.452 flat angles P-C4'-P energy: -4.963 tors. eta vs tors. theta energy: -13.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -176.616276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.616276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.616276 (E_RNA) where: Base-Base interactions energy: -120.494 where: short stacking energy: -54.894 Base-Backbone interact. energy: 0.271 local terms energy: -56.392757 where: bonds (distance) C4'-P energy: -11.081 bonds (distance) P-C4' energy: -9.683 flat angles C4'-P-C4' energy: -13.142 flat angles P-C4'-P energy: -7.543 tors. eta vs tors. theta energy: -14.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -65.129072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.129072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.129072 (E_RNA) where: Base-Base interactions energy: -15.623 where: short stacking energy: -12.962 Base-Backbone interact. energy: -0.026 local terms energy: -49.480276 where: bonds (distance) C4'-P energy: -11.266 bonds (distance) P-C4' energy: -14.138 flat angles C4'-P-C4' energy: -13.405 flat angles P-C4'-P energy: -7.893 tors. eta vs tors. theta energy: -2.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -64.440596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.440596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.440596 (E_RNA) where: Base-Base interactions energy: -30.133 where: short stacking energy: -13.322 Base-Backbone interact. energy: -0.218 local terms energy: -34.089727 where: bonds (distance) C4'-P energy: -8.656 bonds (distance) P-C4' energy: -8.566 flat angles C4'-P-C4' energy: -11.730 flat angles P-C4'-P energy: -3.597 tors. eta vs tors. theta energy: -1.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -206.884409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.884409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.884409 (E_RNA) where: Base-Base interactions energy: -144.665 where: short stacking energy: -63.089 Base-Backbone interact. energy: -0.044 local terms energy: -62.174701 where: bonds (distance) C4'-P energy: -13.168 bonds (distance) P-C4' energy: -13.015 flat angles C4'-P-C4' energy: -11.052 flat angles P-C4'-P energy: -9.350 tors. eta vs tors. theta energy: -15.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -205.719745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.719745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.719745 (E_RNA) where: Base-Base interactions energy: -142.499 where: short stacking energy: -58.789 Base-Backbone interact. energy: 0.808 local terms energy: -64.028520 where: bonds (distance) C4'-P energy: -13.656 bonds (distance) P-C4' energy: -14.407 flat angles C4'-P-C4' energy: -12.465 flat angles P-C4'-P energy: -7.421 tors. eta vs tors. theta energy: -16.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -195.939562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.939562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.939562 (E_RNA) where: Base-Base interactions energy: -133.767 where: short stacking energy: -59.380 Base-Backbone interact. energy: -0.576 local terms energy: -61.596415 where: bonds (distance) C4'-P energy: -11.868 bonds (distance) P-C4' energy: -12.293 flat angles C4'-P-C4' energy: -13.214 flat angles P-C4'-P energy: -5.778 tors. eta vs tors. theta energy: -18.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -192.006727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.006727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.006727 (E_RNA) where: Base-Base interactions energy: -129.597 where: short stacking energy: -54.713 Base-Backbone interact. energy: -0.000 local terms energy: -62.409402 where: bonds (distance) C4'-P energy: -10.217 bonds (distance) P-C4' energy: -12.648 flat angles C4'-P-C4' energy: -14.194 flat angles P-C4'-P energy: -10.961 tors. eta vs tors. theta energy: -14.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -178.023789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.023789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.023789 (E_RNA) where: Base-Base interactions energy: -124.789 where: short stacking energy: -47.700 Base-Backbone interact. energy: -0.135 local terms energy: -53.099579 where: bonds (distance) C4'-P energy: -11.660 bonds (distance) P-C4' energy: -10.513 flat angles C4'-P-C4' energy: -13.379 flat angles P-C4'-P energy: -7.421 tors. eta vs tors. theta energy: -10.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -174.110521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.110521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.110521 (E_RNA) where: Base-Base interactions energy: -120.289 where: short stacking energy: -53.720 Base-Backbone interact. energy: -0.005 local terms energy: -53.816968 where: bonds (distance) C4'-P energy: -6.837 bonds (distance) P-C4' energy: -10.674 flat angles C4'-P-C4' energy: -12.082 flat angles P-C4'-P energy: -10.722 tors. eta vs tors. theta energy: -13.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -173.748949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.748949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.748949 (E_RNA) where: Base-Base interactions energy: -122.940 where: short stacking energy: -50.646 Base-Backbone interact. energy: -0.006 local terms energy: -50.803772 where: bonds (distance) C4'-P energy: -8.784 bonds (distance) P-C4' energy: -12.594 flat angles C4'-P-C4' energy: -7.405 flat angles P-C4'-P energy: -9.471 tors. eta vs tors. theta energy: -12.549 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: 5 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -164.694314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.694314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.694314 (E_RNA) where: Base-Base interactions energy: -115.547 where: short stacking energy: -41.836 Base-Backbone interact. energy: -0.093 local terms energy: -49.054780 where: bonds (distance) C4'-P energy: -10.328 bonds (distance) P-C4' energy: -13.514 flat angles C4'-P-C4' energy: -10.375 flat angles P-C4'-P energy: -5.493 tors. eta vs tors. theta energy: -9.345 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: 3 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -69.551300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.551300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.551300 (E_RNA) where: Base-Base interactions energy: -25.677 where: short stacking energy: -25.677 Base-Backbone interact. energy: -0.004 local terms energy: -43.870011 where: bonds (distance) C4'-P energy: -9.195 bonds (distance) P-C4' energy: -13.223 flat angles C4'-P-C4' energy: -11.721 flat angles P-C4'-P energy: -5.043 tors. eta vs tors. theta energy: -4.688 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: 8 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -62.342185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.342185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.342185 (E_RNA) where: Base-Base interactions energy: -24.898 where: short stacking energy: -23.788 Base-Backbone interact. energy: 1.036 local terms energy: -38.480308 where: bonds (distance) C4'-P energy: -9.980 bonds (distance) P-C4' energy: -10.321 flat angles C4'-P-C4' energy: -8.372 flat angles P-C4'-P energy: -10.065 tors. eta vs tors. theta energy: 0.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -206.001418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.001418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.001418 (E_RNA) where: Base-Base interactions energy: -140.475 where: short stacking energy: -55.274 Base-Backbone interact. energy: -1.100 local terms energy: -64.426293 where: bonds (distance) C4'-P energy: -12.121 bonds (distance) P-C4' energy: -14.315 flat angles C4'-P-C4' energy: -10.702 flat angles P-C4'-P energy: -10.956 tors. eta vs tors. theta energy: -16.333 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: 380 Temperature: 0.950000 Total energy: -195.660615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.660615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.660615 (E_RNA) where: Base-Base interactions energy: -133.604 where: short stacking energy: -57.793 Base-Backbone interact. energy: -0.012 local terms energy: -62.044778 where: bonds (distance) C4'-P energy: -12.666 bonds (distance) P-C4' energy: -9.508 flat angles C4'-P-C4' energy: -12.910 flat angles P-C4'-P energy: -10.717 tors. eta vs tors. theta energy: -16.243 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: 1 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -185.778040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.778040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.778040 (E_RNA) where: Base-Base interactions energy: -128.564 where: short stacking energy: -51.665 Base-Backbone interact. energy: -0.123 local terms energy: -57.091745 where: bonds (distance) C4'-P energy: -12.341 bonds (distance) P-C4' energy: -11.959 flat angles C4'-P-C4' energy: -11.250 flat angles P-C4'-P energy: -7.909 tors. eta vs tors. theta energy: -13.633 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: 380 Temperature: 1.050000 Total energy: -199.331211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.331211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.331211 (E_RNA) where: Base-Base interactions energy: -140.566 where: short stacking energy: -57.504 Base-Backbone interact. energy: -0.687 local terms energy: -58.077996 where: bonds (distance) C4'-P energy: -7.227 bonds (distance) P-C4' energy: -12.116 flat angles C4'-P-C4' energy: -13.812 flat angles P-C4'-P energy: -7.901 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: 5, replica: 4 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -190.864759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.864759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.864759 (E_RNA) where: Base-Base interactions energy: -128.721 where: short stacking energy: -52.026 Base-Backbone interact. energy: -0.267 local terms energy: -61.876464 where: bonds (distance) C4'-P energy: -14.111 bonds (distance) P-C4' energy: -11.377 flat angles C4'-P-C4' energy: -12.692 flat angles P-C4'-P energy: -8.210 tors. eta vs tors. theta energy: -15.486 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: 6 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -182.916304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.916304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.916304 (E_RNA) where: Base-Base interactions energy: -126.091 where: short stacking energy: -51.229 Base-Backbone interact. energy: -0.009 local terms energy: -56.815566 where: bonds (distance) C4'-P energy: -13.147 bonds (distance) P-C4' energy: -11.293 flat angles C4'-P-C4' energy: -13.975 flat angles P-C4'-P energy: -4.726 tors. eta vs tors. theta energy: -13.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -173.793509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.793509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.793509 (E_RNA) where: Base-Base interactions energy: -125.224 where: short stacking energy: -46.123 Base-Backbone interact. energy: -0.188 local terms energy: -48.380615 where: bonds (distance) C4'-P energy: -7.777 bonds (distance) P-C4' energy: -9.519 flat angles C4'-P-C4' energy: -11.221 flat angles P-C4'-P energy: -9.717 tors. eta vs tors. theta energy: -10.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -171.465334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.465334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.465334 (E_RNA) where: Base-Base interactions energy: -120.787 where: short stacking energy: -56.802 Base-Backbone interact. energy: -0.446 local terms energy: -50.232467 where: bonds (distance) C4'-P energy: -9.226 bonds (distance) P-C4' energy: -10.027 flat angles C4'-P-C4' energy: -13.729 flat angles P-C4'-P energy: -3.502 tors. eta vs tors. theta energy: -13.748 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: 8 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -65.649710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.649710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.649710 (E_RNA) where: Base-Base interactions energy: -20.364 where: short stacking energy: -19.186 Base-Backbone interact. energy: -0.096 local terms energy: -45.189142 where: bonds (distance) C4'-P energy: -9.477 bonds (distance) P-C4' energy: -13.585 flat angles C4'-P-C4' energy: -12.079 flat angles P-C4'-P energy: -6.689 tors. eta vs tors. theta energy: -3.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -62.367016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.367016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.367016 (E_RNA) where: Base-Base interactions energy: -23.888 where: short stacking energy: -23.888 Base-Backbone interact. energy: -0.195 local terms energy: -38.283238 where: bonds (distance) C4'-P energy: -8.507 bonds (distance) P-C4' energy: -12.857 flat angles C4'-P-C4' energy: -7.847 flat angles P-C4'-P energy: -7.679 tors. eta vs tors. theta energy: -1.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -202.830203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.830203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.830203 (E_RNA) where: Base-Base interactions energy: -143.825 where: short stacking energy: -60.040 Base-Backbone interact. energy: -0.005 local terms energy: -59.000615 where: bonds (distance) C4'-P energy: -9.740 bonds (distance) P-C4' energy: -13.674 flat angles C4'-P-C4' energy: -12.169 flat angles P-C4'-P energy: -8.574 tors. eta vs tors. theta energy: -14.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -193.958025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.958025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.958025 (E_RNA) where: Base-Base interactions energy: -128.515 where: short stacking energy: -52.421 Base-Backbone interact. energy: -0.009 local terms energy: -65.434814 where: bonds (distance) C4'-P energy: -12.419 bonds (distance) P-C4' energy: -11.070 flat angles C4'-P-C4' energy: -15.230 flat angles P-C4'-P energy: -9.450 tors. eta vs tors. theta energy: -17.266 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: 7 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -195.513156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.513156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.513156 (E_RNA) where: Base-Base interactions energy: -129.348 where: short stacking energy: -49.983 Base-Backbone interact. energy: -0.033 local terms energy: -66.132056 where: bonds (distance) C4'-P energy: -12.501 bonds (distance) P-C4' energy: -11.283 flat angles C4'-P-C4' energy: -13.613 flat angles P-C4'-P energy: -11.692 tors. eta vs tors. theta energy: -17.042 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: 4 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -195.680224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.680224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.680224 (E_RNA) where: Base-Base interactions energy: -132.501 where: short stacking energy: -57.101 Base-Backbone interact. energy: -0.907 local terms energy: -62.272004 where: bonds (distance) C4'-P energy: -10.676 bonds (distance) P-C4' energy: -13.497 flat angles C4'-P-C4' energy: -12.984 flat angles P-C4'-P energy: -9.402 tors. eta vs tors. theta energy: -15.712 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: 9 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -184.300493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.300493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.300493 (E_RNA) where: Base-Base interactions energy: -123.425 where: short stacking energy: -50.993 Base-Backbone interact. energy: -0.005 local terms energy: -60.870115 where: bonds (distance) C4'-P energy: -10.468 bonds (distance) P-C4' energy: -13.135 flat angles C4'-P-C4' energy: -11.145 flat angles P-C4'-P energy: -9.632 tors. eta vs tors. theta energy: -16.490 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: 5 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -185.629420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.629420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.629420 (E_RNA) where: Base-Base interactions energy: -132.270 where: short stacking energy: -57.213 Base-Backbone interact. energy: 0.880 local terms energy: -54.239646 where: bonds (distance) C4'-P energy: -12.643 bonds (distance) P-C4' energy: -7.139 flat angles C4'-P-C4' energy: -10.458 flat angles P-C4'-P energy: -8.423 tors. eta vs tors. theta energy: -15.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -179.450501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.450501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.450501 (E_RNA) where: Base-Base interactions energy: -122.922 where: short stacking energy: -56.258 Base-Backbone interact. energy: -0.002 local terms energy: -56.526431 where: bonds (distance) C4'-P energy: -9.809 bonds (distance) P-C4' energy: -12.553 flat angles C4'-P-C4' energy: -13.186 flat angles P-C4'-P energy: -9.941 tors. eta vs tors. theta energy: -11.038 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: 381 Temperature: 1.250000 Total energy: -166.684047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.684047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.684047 (E_RNA) where: Base-Base interactions energy: -115.726 where: short stacking energy: -46.007 Base-Backbone interact. energy: -0.220 local terms energy: -50.738077 where: bonds (distance) C4'-P energy: -11.549 bonds (distance) P-C4' energy: -11.616 flat angles C4'-P-C4' energy: -10.275 flat angles P-C4'-P energy: -10.467 tors. eta vs tors. theta energy: -6.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -78.304127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.304127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.304127 (E_RNA) where: Base-Base interactions energy: -30.133 where: short stacking energy: -30.133 Base-Backbone interact. energy: -0.105 local terms energy: -48.065179 where: bonds (distance) C4'-P energy: -8.364 bonds (distance) P-C4' energy: -12.036 flat angles C4'-P-C4' energy: -9.336 flat angles P-C4'-P energy: -9.885 tors. eta vs tors. theta energy: -8.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -58.548353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.548353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.548353 (E_RNA) where: Base-Base interactions energy: -22.229 where: short stacking energy: -17.698 Base-Backbone interact. energy: -0.841 local terms energy: -35.478458 where: bonds (distance) C4'-P energy: -8.453 bonds (distance) P-C4' energy: -14.202 flat angles C4'-P-C4' energy: -7.410 flat angles P-C4'-P energy: -8.157 tors. eta vs tors. theta energy: 2.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -204.511119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.511119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.511119 (E_RNA) where: Base-Base interactions energy: -139.357 where: short stacking energy: -61.511 Base-Backbone interact. energy: -0.002 local terms energy: -65.151448 where: bonds (distance) C4'-P energy: -12.121 bonds (distance) P-C4' energy: -14.106 flat angles C4'-P-C4' energy: -13.086 flat angles P-C4'-P energy: -9.113 tors. eta vs tors. theta energy: -16.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -193.675420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.675420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.675420 (E_RNA) where: Base-Base interactions energy: -139.915 where: short stacking energy: -52.272 Base-Backbone interact. energy: -0.072 local terms energy: -53.689295 where: bonds (distance) C4'-P energy: -13.781 bonds (distance) P-C4' energy: -8.936 flat angles C4'-P-C4' energy: -8.593 flat angles P-C4'-P energy: -9.146 tors. eta vs tors. theta energy: -13.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -197.408372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.408372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.408372 (E_RNA) where: Base-Base interactions energy: -138.456 where: short stacking energy: -59.622 Base-Backbone interact. energy: 1.384 local terms energy: -60.335852 where: bonds (distance) C4'-P energy: -11.764 bonds (distance) P-C4' energy: -13.504 flat angles C4'-P-C4' energy: -14.240 flat angles P-C4'-P energy: -7.833 tors. eta vs tors. theta energy: -12.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -195.714452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.714452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.714452 (E_RNA) where: Base-Base interactions energy: -136.730 where: short stacking energy: -58.945 Base-Backbone interact. energy: -0.211 local terms energy: -58.774201 where: bonds (distance) C4'-P energy: -10.486 bonds (distance) P-C4' energy: -9.963 flat angles C4'-P-C4' energy: -12.691 flat angles P-C4'-P energy: -9.997 tors. eta vs tors. theta energy: -15.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -188.532307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.532307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.532307 (E_RNA) where: Base-Base interactions energy: -130.805 where: short stacking energy: -58.010 Base-Backbone interact. energy: -0.009 local terms energy: -57.718638 where: bonds (distance) C4'-P energy: -10.974 bonds (distance) P-C4' energy: -11.138 flat angles C4'-P-C4' energy: -13.090 flat angles P-C4'-P energy: -7.960 tors. eta vs tors. theta energy: -14.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -191.361129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.361129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.361129 (E_RNA) where: Base-Base interactions energy: -124.247 where: short stacking energy: -52.996 Base-Backbone interact. energy: -0.020 local terms energy: -67.094762 where: bonds (distance) C4'-P energy: -13.089 bonds (distance) P-C4' energy: -14.420 flat angles C4'-P-C4' energy: -14.836 flat angles P-C4'-P energy: -10.588 tors. eta vs tors. theta energy: -14.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -174.917516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.917516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.917516 (E_RNA) where: Base-Base interactions energy: -122.290 where: short stacking energy: -45.726 Base-Backbone interact. energy: -0.043 local terms energy: -52.584657 where: bonds (distance) C4'-P energy: -3.566 bonds (distance) P-C4' energy: -11.576 flat angles C4'-P-C4' energy: -11.913 flat angles P-C4'-P energy: -10.089 tors. eta vs tors. theta energy: -15.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -171.335861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.335861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.335861 (E_RNA) where: Base-Base interactions energy: -117.632 where: short stacking energy: -44.181 Base-Backbone interact. energy: -0.041 local terms energy: -53.662634 where: bonds (distance) C4'-P energy: -11.152 bonds (distance) P-C4' energy: -12.620 flat angles C4'-P-C4' energy: -11.812 flat angles P-C4'-P energy: -8.639 tors. eta vs tors. theta energy: -9.440 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: 3 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -75.500830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.500830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.500830 (E_RNA) where: Base-Base interactions energy: -28.854 where: short stacking energy: -23.270 Base-Backbone interact. energy: -0.464 local terms energy: -46.182405 where: bonds (distance) C4'-P energy: -12.538 bonds (distance) P-C4' energy: -11.197 flat angles C4'-P-C4' energy: -11.182 flat angles P-C4'-P energy: -11.223 tors. eta vs tors. theta energy: -0.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -62.783255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.783255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.783255 (E_RNA) where: Base-Base interactions energy: -27.782 where: short stacking energy: -20.318 Base-Backbone interact. energy: -0.105 local terms energy: -34.896201 where: bonds (distance) C4'-P energy: -9.290 bonds (distance) P-C4' energy: -13.038 flat angles C4'-P-C4' energy: -8.795 flat angles P-C4'-P energy: -3.736 tors. eta vs tors. theta energy: -0.036 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: 1 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -201.763864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.763864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.763864 (E_RNA) where: Base-Base interactions energy: -137.463 where: short stacking energy: -56.004 Base-Backbone interact. energy: -0.110 local terms energy: -64.190132 where: bonds (distance) C4'-P energy: -11.230 bonds (distance) P-C4' energy: -13.759 flat angles C4'-P-C4' energy: -11.041 flat angles P-C4'-P energy: -10.587 tors. eta vs tors. theta energy: -17.573 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: 4 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -203.310103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.310103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.310103 (E_RNA) where: Base-Base interactions energy: -136.391 where: short stacking energy: -59.725 Base-Backbone interact. energy: -0.002 local terms energy: -66.917459 where: bonds (distance) C4'-P energy: -12.147 bonds (distance) P-C4' energy: -14.033 flat angles C4'-P-C4' energy: -13.982 flat angles P-C4'-P energy: -11.021 tors. eta vs tors. theta energy: -15.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -194.879051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.879051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.879051 (E_RNA) where: Base-Base interactions energy: -134.364 where: short stacking energy: -59.066 Base-Backbone interact. energy: -0.004 local terms energy: -60.511501 where: bonds (distance) C4'-P energy: -11.491 bonds (distance) P-C4' energy: -10.926 flat angles C4'-P-C4' energy: -13.842 flat angles P-C4'-P energy: -8.207 tors. eta vs tors. theta energy: -16.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -197.028635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.028635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.028635 (E_RNA) where: Base-Base interactions energy: -133.999 where: short stacking energy: -58.634 Base-Backbone interact. energy: -0.004 local terms energy: -63.026430 where: bonds (distance) C4'-P energy: -12.563 bonds (distance) P-C4' energy: -12.035 flat angles C4'-P-C4' energy: -13.077 flat angles P-C4'-P energy: -9.463 tors. eta vs tors. theta energy: -15.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -184.340389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.340389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.340389 (E_RNA) where: Base-Base interactions energy: -124.612 where: short stacking energy: -45.882 Base-Backbone interact. energy: -0.127 local terms energy: -59.601425 where: bonds (distance) C4'-P energy: -10.007 bonds (distance) P-C4' energy: -14.646 flat angles C4'-P-C4' energy: -12.925 flat angles P-C4'-P energy: -7.762 tors. eta vs tors. theta energy: -14.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -183.122562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.122562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.122562 (E_RNA) where: Base-Base interactions energy: -126.435 where: short stacking energy: -54.941 Base-Backbone interact. energy: -0.002 local terms energy: -56.685233 where: bonds (distance) C4'-P energy: -11.172 bonds (distance) P-C4' energy: -10.010 flat angles C4'-P-C4' energy: -12.990 flat angles P-C4'-P energy: -7.091 tors. eta vs tors. theta energy: -15.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -168.628880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.628880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.628880 (E_RNA) where: Base-Base interactions energy: -122.540 where: short stacking energy: -46.759 Base-Backbone interact. energy: -0.390 local terms energy: -45.699116 where: bonds (distance) C4'-P energy: -11.061 bonds (distance) P-C4' energy: -7.465 flat angles C4'-P-C4' energy: -13.463 flat angles P-C4'-P energy: -7.101 tors. eta vs tors. theta energy: -6.609 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: 6 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -154.789327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.789327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.789327 (E_RNA) where: Base-Base interactions energy: -105.307 where: short stacking energy: -45.577 Base-Backbone interact. energy: -0.040 local terms energy: -49.441592 where: bonds (distance) C4'-P energy: -11.835 bonds (distance) P-C4' energy: -10.602 flat angles C4'-P-C4' energy: -12.484 flat angles P-C4'-P energy: -4.049 tors. eta vs tors. theta energy: -10.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -73.244326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.244326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.244326 (E_RNA) where: Base-Base interactions energy: -28.585 where: short stacking energy: -27.324 Base-Backbone interact. energy: -0.161 local terms energy: -44.497820 where: bonds (distance) C4'-P energy: -6.660 bonds (distance) P-C4' energy: -14.092 flat angles C4'-P-C4' energy: -10.136 flat angles P-C4'-P energy: -7.053 tors. eta vs tors. theta energy: -6.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -61.809301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.809301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.809301 (E_RNA) where: Base-Base interactions energy: -20.556 where: short stacking energy: -20.556 Base-Backbone interact. energy: -0.051 local terms energy: -41.201443 where: bonds (distance) C4'-P energy: -9.123 bonds (distance) P-C4' energy: -13.211 flat angles C4'-P-C4' energy: -10.292 flat angles P-C4'-P energy: -4.890 tors. eta vs tors. theta energy: -3.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -202.879997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.879997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.879997 (E_RNA) where: Base-Base interactions energy: -139.733 where: short stacking energy: -58.853 Base-Backbone interact. energy: -0.066 local terms energy: -63.080847 where: bonds (distance) C4'-P energy: -14.030 bonds (distance) P-C4' energy: -11.398 flat angles C4'-P-C4' energy: -14.655 flat angles P-C4'-P energy: -5.315 tors. eta vs tors. theta energy: -17.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -194.850558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.850558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.850558 (E_RNA) where: Base-Base interactions energy: -130.604 where: short stacking energy: -57.898 Base-Backbone interact. energy: -0.095 local terms energy: -64.151480 where: bonds (distance) C4'-P energy: -13.168 bonds (distance) P-C4' energy: -14.588 flat angles C4'-P-C4' energy: -14.408 flat angles P-C4'-P energy: -8.465 tors. eta vs tors. theta energy: -13.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -199.264229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.264229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.264229 (E_RNA) where: Base-Base interactions energy: -136.621 where: short stacking energy: -61.781 Base-Backbone interact. energy: -0.002 local terms energy: -62.640897 where: bonds (distance) C4'-P energy: -10.071 bonds (distance) P-C4' energy: -14.231 flat angles C4'-P-C4' energy: -14.016 flat angles P-C4'-P energy: -9.048 tors. eta vs tors. theta energy: -15.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -181.496669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.496669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.496669 (E_RNA) where: Base-Base interactions energy: -120.675 where: short stacking energy: -54.021 Base-Backbone interact. energy: -0.110 local terms energy: -60.711576 where: bonds (distance) C4'-P energy: -10.315 bonds (distance) P-C4' energy: -10.803 flat angles C4'-P-C4' energy: -13.175 flat angles P-C4'-P energy: -10.095 tors. eta vs tors. theta energy: -16.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -195.114789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.114789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.114789 (E_RNA) where: Base-Base interactions energy: -133.520 where: short stacking energy: -55.165 Base-Backbone interact. energy: -0.001 local terms energy: -61.594092 where: bonds (distance) C4'-P energy: -10.709 bonds (distance) P-C4' energy: -14.849 flat angles C4'-P-C4' energy: -12.793 flat angles P-C4'-P energy: -9.046 tors. eta vs tors. theta energy: -14.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -168.092566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.092566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.092566 (E_RNA) where: Base-Base interactions energy: -116.940 where: short stacking energy: -47.684 Base-Backbone interact. energy: -0.050 local terms energy: -51.102991 where: bonds (distance) C4'-P energy: -9.111 bonds (distance) P-C4' energy: -13.088 flat angles C4'-P-C4' energy: -11.559 flat angles P-C4'-P energy: -5.243 tors. eta vs tors. theta energy: -12.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -177.656632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.656632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.656632 (E_RNA) where: Base-Base interactions energy: -118.306 where: short stacking energy: -51.259 Base-Backbone interact. energy: -0.033 local terms energy: -59.317801 where: bonds (distance) C4'-P energy: -11.976 bonds (distance) P-C4' energy: -13.027 flat angles C4'-P-C4' energy: -12.976 flat angles P-C4'-P energy: -7.811 tors. eta vs tors. theta energy: -13.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -160.444665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.444665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.444665 (E_RNA) where: Base-Base interactions energy: -110.775 where: short stacking energy: -38.359 Base-Backbone interact. energy: -0.112 local terms energy: -49.557338 where: bonds (distance) C4'-P energy: -11.433 bonds (distance) P-C4' energy: -13.224 flat angles C4'-P-C4' energy: -10.116 flat angles P-C4'-P energy: -8.446 tors. eta vs tors. theta energy: -6.339 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: 8 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -70.956542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.956542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.956542 (E_RNA) where: Base-Base interactions energy: -25.787 where: short stacking energy: -25.787 Base-Backbone interact. energy: -0.019 local terms energy: -45.150449 where: bonds (distance) C4'-P energy: -11.744 bonds (distance) P-C4' energy: -12.874 flat angles C4'-P-C4' energy: -10.169 flat angles P-C4'-P energy: -5.890 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: 3 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -64.036832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.036832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.036832 (E_RNA) where: Base-Base interactions energy: -30.305 where: short stacking energy: -22.165 Base-Backbone interact. energy: 2.379 local terms energy: -36.110023 where: bonds (distance) C4'-P energy: -2.776 bonds (distance) P-C4' energy: -10.092 flat angles C4'-P-C4' energy: -10.267 flat angles P-C4'-P energy: -3.381 tors. eta vs tors. theta energy: -9.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -204.849037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.849037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.849037 (E_RNA) where: Base-Base interactions energy: -140.172 where: short stacking energy: -63.901 Base-Backbone interact. energy: 0.509 local terms energy: -65.185537 where: bonds (distance) C4'-P energy: -10.555 bonds (distance) P-C4' energy: -13.018 flat angles C4'-P-C4' energy: -15.408 flat angles P-C4'-P energy: -9.466 tors. eta vs tors. theta energy: -16.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -204.471368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.471368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.471368 (E_RNA) where: Base-Base interactions energy: -140.732 where: short stacking energy: -60.936 Base-Backbone interact. energy: -0.001 local terms energy: -63.738041 where: bonds (distance) C4'-P energy: -9.455 bonds (distance) P-C4' energy: -14.199 flat angles C4'-P-C4' energy: -15.003 flat angles P-C4'-P energy: -10.526 tors. eta vs tors. theta energy: -14.555 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: 4 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -196.831895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.831895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.831895 (E_RNA) where: Base-Base interactions energy: -134.806 where: short stacking energy: -48.342 Base-Backbone interact. energy: -0.545 local terms energy: -61.481009 where: bonds (distance) C4'-P energy: -13.256 bonds (distance) P-C4' energy: -13.727 flat angles C4'-P-C4' energy: -14.511 flat angles P-C4'-P energy: -6.424 tors. eta vs tors. theta energy: -13.564 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: 2 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -195.921395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.921395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.921395 (E_RNA) where: Base-Base interactions energy: -139.321 where: short stacking energy: -57.719 Base-Backbone interact. energy: -0.087 local terms energy: -56.512928 where: bonds (distance) C4'-P energy: -10.974 bonds (distance) P-C4' energy: -11.006 flat angles C4'-P-C4' energy: -14.069 flat angles P-C4'-P energy: -4.283 tors. eta vs tors. theta energy: -16.181 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: 5, replica: 10 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -192.522186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.522186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.522186 (E_RNA) where: Base-Base interactions energy: -127.383 where: short stacking energy: -50.770 Base-Backbone interact. energy: -0.001 local terms energy: -65.138367 where: bonds (distance) C4'-P energy: -12.601 bonds (distance) P-C4' energy: -9.129 flat angles C4'-P-C4' energy: -15.032 flat angles P-C4'-P energy: -10.783 tors. eta vs tors. theta energy: -17.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -180.592947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.592947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.592947 (E_RNA) where: Base-Base interactions energy: -124.312 where: short stacking energy: -46.214 Base-Backbone interact. energy: 0.241 local terms energy: -56.522141 where: bonds (distance) C4'-P energy: -12.551 bonds (distance) P-C4' energy: -10.911 flat angles C4'-P-C4' energy: -12.782 flat angles P-C4'-P energy: -8.406 tors. eta vs tors. theta energy: -11.872 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: 7 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -181.171165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.171165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.171165 (E_RNA) where: Base-Base interactions energy: -124.055 where: short stacking energy: -48.983 Base-Backbone interact. energy: -0.197 local terms energy: -56.918840 where: bonds (distance) C4'-P energy: -8.257 bonds (distance) P-C4' energy: -13.758 flat angles C4'-P-C4' energy: -11.111 flat angles P-C4'-P energy: -10.543 tors. eta vs tors. theta energy: -13.250 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: 6 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -178.885127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.885127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.885127 (E_RNA) where: Base-Base interactions energy: -121.752 where: short stacking energy: -48.927 Base-Backbone interact. energy: -0.381 local terms energy: -56.751924 where: bonds (distance) C4'-P energy: -10.041 bonds (distance) P-C4' energy: -12.807 flat angles C4'-P-C4' energy: -12.089 flat angles P-C4'-P energy: -9.663 tors. eta vs tors. theta energy: -12.152 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: 8 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -62.584856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.584856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.584856 (E_RNA) where: Base-Base interactions energy: -18.220 where: short stacking energy: -17.076 Base-Backbone interact. energy: -0.173 local terms energy: -44.192010 where: bonds (distance) C4'-P energy: -11.781 bonds (distance) P-C4' energy: -12.242 flat angles C4'-P-C4' energy: -11.264 flat angles P-C4'-P energy: -6.263 tors. eta vs tors. theta energy: -2.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -60.587842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.587842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.587842 (E_RNA) where: Base-Base interactions energy: -16.567 where: short stacking energy: -16.567 Base-Backbone interact. energy: -0.103 local terms energy: -43.918132 where: bonds (distance) C4'-P energy: -14.004 bonds (distance) P-C4' energy: -10.725 flat angles C4'-P-C4' energy: -11.062 flat angles P-C4'-P energy: -7.281 tors. eta vs tors. theta energy: -0.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -201.520607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.520607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.520607 (E_RNA) where: Base-Base interactions energy: -137.920 where: short stacking energy: -59.043 Base-Backbone interact. energy: -0.001 local terms energy: -63.600081 where: bonds (distance) C4'-P energy: -11.520 bonds (distance) P-C4' energy: -13.187 flat angles C4'-P-C4' energy: -11.301 flat angles P-C4'-P energy: -9.571 tors. eta vs tors. theta energy: -18.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -196.536522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.536522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.536522 (E_RNA) where: Base-Base interactions energy: -134.682 where: short stacking energy: -55.989 Base-Backbone interact. energy: -0.003 local terms energy: -61.851372 where: bonds (distance) C4'-P energy: -12.676 bonds (distance) P-C4' energy: -10.471 flat angles C4'-P-C4' energy: -13.341 flat angles P-C4'-P energy: -9.737 tors. eta vs tors. theta energy: -15.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -204.844893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.844893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.844893 (E_RNA) where: Base-Base interactions energy: -137.292 where: short stacking energy: -57.126 Base-Backbone interact. energy: -0.069 local terms energy: -67.483940 where: bonds (distance) C4'-P energy: -12.310 bonds (distance) P-C4' energy: -12.812 flat angles C4'-P-C4' energy: -13.342 flat angles P-C4'-P energy: -10.947 tors. eta vs tors. theta energy: -18.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -186.544986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.544986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.544986 (E_RNA) where: Base-Base interactions energy: -126.718 where: short stacking energy: -53.383 Base-Backbone interact. energy: -0.001 local terms energy: -59.826459 where: bonds (distance) C4'-P energy: -10.771 bonds (distance) P-C4' energy: -14.358 flat angles C4'-P-C4' energy: -9.448 flat angles P-C4'-P energy: -10.901 tors. eta vs tors. theta energy: -14.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -185.748370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.748370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.748370 (E_RNA) where: Base-Base interactions energy: -129.295 where: short stacking energy: -55.566 Base-Backbone interact. energy: -0.005 local terms energy: -56.448229 where: bonds (distance) C4'-P energy: -7.878 bonds (distance) P-C4' energy: -13.756 flat angles C4'-P-C4' energy: -11.918 flat angles P-C4'-P energy: -8.928 tors. eta vs tors. theta energy: -13.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -194.076385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.076385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.076385 (E_RNA) where: Base-Base interactions energy: -134.694 where: short stacking energy: -55.607 Base-Backbone interact. energy: -0.107 local terms energy: -59.275777 where: bonds (distance) C4'-P energy: -9.823 bonds (distance) P-C4' energy: -10.968 flat angles C4'-P-C4' energy: -13.497 flat angles P-C4'-P energy: -7.319 tors. eta vs tors. theta energy: -17.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -180.980571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.980571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.980571 (E_RNA) where: Base-Base interactions energy: -133.174 where: short stacking energy: -54.330 Base-Backbone interact. energy: 0.115 local terms energy: -47.921126 where: bonds (distance) C4'-P energy: -4.842 bonds (distance) P-C4' energy: -10.793 flat angles C4'-P-C4' energy: -12.826 flat angles P-C4'-P energy: -2.806 tors. eta vs tors. theta energy: -16.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -162.662264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.662264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.662264 (E_RNA) where: Base-Base interactions energy: -106.038 where: short stacking energy: -42.454 Base-Backbone interact. energy: 0.330 local terms energy: -56.954150 where: bonds (distance) C4'-P energy: -11.375 bonds (distance) P-C4' energy: -12.508 flat angles C4'-P-C4' energy: -10.322 flat angles P-C4'-P energy: -10.345 tors. eta vs tors. theta energy: -12.404 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: 3 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -64.238434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.238434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.238434 (E_RNA) where: Base-Base interactions energy: -27.372 where: short stacking energy: -20.000 Base-Backbone interact. energy: -1.012 local terms energy: -35.854924 where: bonds (distance) C4'-P energy: -12.166 bonds (distance) P-C4' energy: -12.768 flat angles C4'-P-C4' energy: -8.185 flat angles P-C4'-P energy: -2.426 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: 8 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -64.769167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.769167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.769167 (E_RNA) where: Base-Base interactions energy: -21.159 where: short stacking energy: -15.345 Base-Backbone interact. energy: -0.379 local terms energy: -43.231338 where: bonds (distance) C4'-P energy: -8.171 bonds (distance) P-C4' energy: -13.727 flat angles C4'-P-C4' energy: -12.320 flat angles P-C4'-P energy: -6.194 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: 1, replica: 1 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -207.430643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.430643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.430643 (E_RNA) where: Base-Base interactions energy: -138.634 where: short stacking energy: -58.162 Base-Backbone interact. energy: -0.001 local terms energy: -68.795075 where: bonds (distance) C4'-P energy: -13.558 bonds (distance) P-C4' energy: -13.333 flat angles C4'-P-C4' energy: -15.002 flat angles P-C4'-P energy: -10.011 tors. eta vs tors. theta energy: -16.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -206.101512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.101512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.101512 (E_RNA) where: Base-Base interactions energy: -144.677 where: short stacking energy: -60.826 Base-Backbone interact. energy: -0.003 local terms energy: -61.421554 where: bonds (distance) C4'-P energy: -10.904 bonds (distance) P-C4' energy: -13.547 flat angles C4'-P-C4' energy: -12.905 flat angles P-C4'-P energy: -9.609 tors. eta vs tors. theta energy: -14.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -200.675106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.675106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.675106 (E_RNA) where: Base-Base interactions energy: -138.466 where: short stacking energy: -57.514 Base-Backbone interact. energy: -0.094 local terms energy: -62.114653 where: bonds (distance) C4'-P energy: -13.264 bonds (distance) P-C4' energy: -12.240 flat angles C4'-P-C4' energy: -12.027 flat angles P-C4'-P energy: -7.315 tors. eta vs tors. theta energy: -17.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -180.939277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.939277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.939277 (E_RNA) where: Base-Base interactions energy: -125.682 where: short stacking energy: -51.430 Base-Backbone interact. energy: -0.056 local terms energy: -55.201742 where: bonds (distance) C4'-P energy: -11.644 bonds (distance) P-C4' energy: -11.410 flat angles C4'-P-C4' energy: -13.446 flat angles P-C4'-P energy: -7.492 tors. eta vs tors. theta energy: -11.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -192.495806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.495806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.495806 (E_RNA) where: Base-Base interactions energy: -134.165 where: short stacking energy: -51.808 Base-Backbone interact. energy: -0.002 local terms energy: -58.328594 where: bonds (distance) C4'-P energy: -9.563 bonds (distance) P-C4' energy: -12.331 flat angles C4'-P-C4' energy: -11.737 flat angles P-C4'-P energy: -8.326 tors. eta vs tors. theta energy: -16.372 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: 6 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -181.805661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.805661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.805661 (E_RNA) where: Base-Base interactions energy: -124.482 where: short stacking energy: -53.469 Base-Backbone interact. energy: -0.022 local terms energy: -57.301461 where: bonds (distance) C4'-P energy: -11.012 bonds (distance) P-C4' energy: -11.771 flat angles C4'-P-C4' energy: -13.639 flat angles P-C4'-P energy: -3.695 tors. eta vs tors. theta energy: -17.185 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: 10 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -178.435989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.435989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.435989 (E_RNA) where: Base-Base interactions energy: -124.538 where: short stacking energy: -49.818 Base-Backbone interact. energy: -0.124 local terms energy: -53.774346 where: bonds (distance) C4'-P energy: -11.107 bonds (distance) P-C4' energy: -13.730 flat angles C4'-P-C4' energy: -11.044 flat angles P-C4'-P energy: -5.301 tors. eta vs tors. theta energy: -12.592 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: 7 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -166.314615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.314615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.314615 (E_RNA) where: Base-Base interactions energy: -114.025 where: short stacking energy: -53.505 Base-Backbone interact. energy: 0.671 local terms energy: -52.960869 where: bonds (distance) C4'-P energy: -13.204 bonds (distance) P-C4' energy: -8.985 flat angles C4'-P-C4' energy: -13.386 flat angles P-C4'-P energy: -5.756 tors. eta vs tors. theta energy: -11.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -70.554771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.554771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.554771 (E_RNA) where: Base-Base interactions energy: -28.512 where: short stacking energy: -23.586 Base-Backbone interact. energy: -0.028 local terms energy: -42.015031 where: bonds (distance) C4'-P energy: -8.185 bonds (distance) P-C4' energy: -11.372 flat angles C4'-P-C4' energy: -10.710 flat angles P-C4'-P energy: -7.524 tors. eta vs tors. theta energy: -4.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -57.249140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.249140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.249140 (E_RNA) where: Base-Base interactions energy: -23.643 where: short stacking energy: -14.510 Base-Backbone interact. energy: -0.256 local terms energy: -33.350939 where: bonds (distance) C4'-P energy: -10.684 bonds (distance) P-C4' energy: -7.921 flat angles C4'-P-C4' energy: -6.943 flat angles P-C4'-P energy: -8.556 tors. eta vs tors. theta energy: 0.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -205.456515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.456515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.456515 (E_RNA) where: Base-Base interactions energy: -141.022 where: short stacking energy: -58.854 Base-Backbone interact. energy: -0.000 local terms energy: -64.433960 where: bonds (distance) C4'-P energy: -13.284 bonds (distance) P-C4' energy: -12.352 flat angles C4'-P-C4' energy: -11.846 flat angles P-C4'-P energy: -8.671 tors. eta vs tors. theta energy: -18.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -196.390492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.390492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.390492 (E_RNA) where: Base-Base interactions energy: -132.522 where: short stacking energy: -57.699 Base-Backbone interact. energy: -0.004 local terms energy: -63.864407 where: bonds (distance) C4'-P energy: -9.930 bonds (distance) P-C4' energy: -14.109 flat angles C4'-P-C4' energy: -14.282 flat angles P-C4'-P energy: -10.029 tors. eta vs tors. theta energy: -15.514 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: 388 Temperature: 1.000000 Total energy: -201.328881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.328881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.328881 (E_RNA) where: Base-Base interactions energy: -143.596 where: short stacking energy: -59.653 Base-Backbone interact. energy: -0.001 local terms energy: -57.732314 where: bonds (distance) C4'-P energy: -10.386 bonds (distance) P-C4' energy: -14.353 flat angles C4'-P-C4' energy: -10.887 flat angles P-C4'-P energy: -6.768 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: 4, replica: 5 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -193.587859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.587859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.587859 (E_RNA) where: Base-Base interactions energy: -132.493 where: short stacking energy: -59.929 Base-Backbone interact. energy: -0.001 local terms energy: -61.094006 where: bonds (distance) C4'-P energy: -12.895 bonds (distance) P-C4' energy: -9.819 flat angles C4'-P-C4' energy: -13.030 flat angles P-C4'-P energy: -9.833 tors. eta vs tors. theta energy: -15.518 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: 6 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -188.949129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.949129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.949129 (E_RNA) where: Base-Base interactions energy: -135.996 where: short stacking energy: -59.981 Base-Backbone interact. energy: -0.002 local terms energy: -52.951497 where: bonds (distance) C4'-P energy: -12.050 bonds (distance) P-C4' energy: -10.455 flat angles C4'-P-C4' energy: -8.147 flat angles P-C4'-P energy: -5.181 tors. eta vs tors. theta energy: -17.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -190.145000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.145000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.145000 (E_RNA) where: Base-Base interactions energy: -128.614 where: short stacking energy: -55.242 Base-Backbone interact. energy: -0.044 local terms energy: -61.487650 where: bonds (distance) C4'-P energy: -13.150 bonds (distance) P-C4' energy: -10.545 flat angles C4'-P-C4' energy: -10.540 flat angles P-C4'-P energy: -9.494 tors. eta vs tors. theta energy: -17.758 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: 10 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -167.639271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.639271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.639271 (E_RNA) where: Base-Base interactions energy: -114.430 where: short stacking energy: -43.927 Base-Backbone interact. energy: 0.310 local terms energy: -53.519422 where: bonds (distance) C4'-P energy: -9.727 bonds (distance) P-C4' energy: -11.277 flat angles C4'-P-C4' energy: -11.516 flat angles P-C4'-P energy: -8.880 tors. eta vs tors. theta energy: -12.119 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: 7 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -173.780794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.780794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.780794 (E_RNA) where: Base-Base interactions energy: -118.516 where: short stacking energy: -50.862 Base-Backbone interact. energy: -0.106 local terms energy: -55.159098 where: bonds (distance) C4'-P energy: -8.139 bonds (distance) P-C4' energy: -14.417 flat angles C4'-P-C4' energy: -11.162 flat angles P-C4'-P energy: -6.813 tors. eta vs tors. theta energy: -14.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -68.794167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.794167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.794167 (E_RNA) where: Base-Base interactions energy: -23.197 where: short stacking energy: -23.197 Base-Backbone interact. energy: -0.130 local terms energy: -45.467274 where: bonds (distance) C4'-P energy: -9.652 bonds (distance) P-C4' energy: -15.115 flat angles C4'-P-C4' energy: -9.609 flat angles P-C4'-P energy: -5.818 tors. eta vs tors. theta energy: -5.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -64.544055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.544055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.544055 (E_RNA) where: Base-Base interactions energy: -17.932 where: short stacking energy: -14.140 Base-Backbone interact. energy: -0.260 local terms energy: -46.351908 where: bonds (distance) C4'-P energy: -14.145 bonds (distance) P-C4' energy: -14.446 flat angles C4'-P-C4' energy: -11.049 flat angles P-C4'-P energy: -7.973 tors. eta vs tors. theta energy: 1.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -204.190829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.190829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.190829 (E_RNA) where: Base-Base interactions energy: -140.083 where: short stacking energy: -61.965 Base-Backbone interact. energy: -0.001 local terms energy: -64.106883 where: bonds (distance) C4'-P energy: -13.968 bonds (distance) P-C4' energy: -12.954 flat angles C4'-P-C4' energy: -12.886 flat angles P-C4'-P energy: -8.566 tors. eta vs tors. theta energy: -15.733 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: 9 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -198.103456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.103456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.103456 (E_RNA) where: Base-Base interactions energy: -134.960 where: short stacking energy: -59.691 Base-Backbone interact. energy: 0.498 local terms energy: -63.641610 where: bonds (distance) C4'-P energy: -10.950 bonds (distance) P-C4' energy: -12.687 flat angles C4'-P-C4' energy: -13.391 flat angles P-C4'-P energy: -11.981 tors. eta vs tors. theta energy: -14.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -195.943175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.943175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.943175 (E_RNA) where: Base-Base interactions energy: -134.531 where: short stacking energy: -61.579 Base-Backbone interact. energy: -0.000 local terms energy: -61.412269 where: bonds (distance) C4'-P energy: -13.628 bonds (distance) P-C4' energy: -14.871 flat angles C4'-P-C4' energy: -13.005 flat angles P-C4'-P energy: -7.205 tors. eta vs tors. theta energy: -12.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -192.452505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.452505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.452505 (E_RNA) where: Base-Base interactions energy: -133.825 where: short stacking energy: -53.115 Base-Backbone interact. energy: -0.005 local terms energy: -58.622486 where: bonds (distance) C4'-P energy: -9.919 bonds (distance) P-C4' energy: -13.546 flat angles C4'-P-C4' energy: -13.219 flat angles P-C4'-P energy: -6.228 tors. eta vs tors. theta energy: -15.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -188.029418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.029418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.029418 (E_RNA) where: Base-Base interactions energy: -129.903 where: short stacking energy: -53.242 Base-Backbone interact. energy: -0.283 local terms energy: -57.842477 where: bonds (distance) C4'-P energy: -12.643 bonds (distance) P-C4' energy: -10.804 flat angles C4'-P-C4' energy: -13.969 flat angles P-C4'-P energy: -8.573 tors. eta vs tors. theta energy: -11.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -174.242993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.242993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.242993 (E_RNA) where: Base-Base interactions energy: -122.462 where: short stacking energy: -52.143 Base-Backbone interact. energy: -0.028 local terms energy: -51.752327 where: bonds (distance) C4'-P energy: -4.165 bonds (distance) P-C4' energy: -7.339 flat angles C4'-P-C4' energy: -11.602 flat angles P-C4'-P energy: -10.310 tors. eta vs tors. theta energy: -18.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -168.689624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.689624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.689624 (E_RNA) where: Base-Base interactions energy: -116.359 where: short stacking energy: -47.529 Base-Backbone interact. energy: -0.025 local terms energy: -52.305372 where: bonds (distance) C4'-P energy: -6.101 bonds (distance) P-C4' energy: -13.615 flat angles C4'-P-C4' energy: -13.656 flat angles P-C4'-P energy: -7.452 tors. eta vs tors. theta energy: -11.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -180.611260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.611260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.611260 (E_RNA) where: Base-Base interactions energy: -131.755 where: short stacking energy: -59.639 Base-Backbone interact. energy: -0.178 local terms energy: -48.678003 where: bonds (distance) C4'-P energy: -10.203 bonds (distance) P-C4' energy: -6.268 flat angles C4'-P-C4' energy: -10.009 flat angles P-C4'-P energy: -4.027 tors. eta vs tors. theta energy: -18.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -68.564181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.564181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.564181 (E_RNA) where: Base-Base interactions energy: -24.050 where: short stacking energy: -24.050 Base-Backbone interact. energy: -0.286 local terms energy: -44.228309 where: bonds (distance) C4'-P energy: -11.131 bonds (distance) P-C4' energy: -11.405 flat angles C4'-P-C4' energy: -10.945 flat angles P-C4'-P energy: -7.272 tors. eta vs tors. theta energy: -3.475 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: 8 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -72.704018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.704018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.704018 (E_RNA) where: Base-Base interactions energy: -30.999 where: short stacking energy: -20.752 Base-Backbone interact. energy: -0.070 local terms energy: -41.635069 where: bonds (distance) C4'-P energy: -11.840 bonds (distance) P-C4' energy: -9.712 flat angles C4'-P-C4' energy: -8.850 flat angles P-C4'-P energy: -8.605 tors. eta vs tors. theta energy: -2.629 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: 1 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -208.117104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.117104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.117104 (E_RNA) where: Base-Base interactions energy: -144.468 where: short stacking energy: -57.534 Base-Backbone interact. energy: -0.115 local terms energy: -63.534402 where: bonds (distance) C4'-P energy: -12.671 bonds (distance) P-C4' energy: -13.476 flat angles C4'-P-C4' energy: -13.799 flat angles P-C4'-P energy: -8.263 tors. eta vs tors. theta energy: -15.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -197.951028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.951028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.951028 (E_RNA) where: Base-Base interactions energy: -137.621 where: short stacking energy: -57.162 Base-Backbone interact. energy: -0.001 local terms energy: -60.329392 where: bonds (distance) C4'-P energy: -12.729 bonds (distance) P-C4' energy: -11.454 flat angles C4'-P-C4' energy: -11.884 flat angles P-C4'-P energy: -7.256 tors. eta vs tors. theta energy: -17.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -195.139374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.139374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.139374 (E_RNA) where: Base-Base interactions energy: -140.527 where: short stacking energy: -54.949 Base-Backbone interact. energy: -0.003 local terms energy: -54.609289 where: bonds (distance) C4'-P energy: -11.711 bonds (distance) P-C4' energy: -12.170 flat angles C4'-P-C4' energy: -13.232 flat angles P-C4'-P energy: -4.659 tors. eta vs tors. theta energy: -12.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -200.618856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.618856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.618856 (E_RNA) where: Base-Base interactions energy: -142.048 where: short stacking energy: -59.924 Base-Backbone interact. energy: 0.531 local terms energy: -59.101167 where: bonds (distance) C4'-P energy: -11.081 bonds (distance) P-C4' energy: -9.589 flat angles C4'-P-C4' energy: -13.338 flat angles P-C4'-P energy: -8.059 tors. eta vs tors. theta energy: -17.035 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: 10 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -184.733491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.733491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.733491 (E_RNA) where: Base-Base interactions energy: -126.918 where: short stacking energy: -54.684 Base-Backbone interact. energy: -0.308 local terms energy: -57.507408 where: bonds (distance) C4'-P energy: -12.138 bonds (distance) P-C4' energy: -9.567 flat angles C4'-P-C4' energy: -10.822 flat angles P-C4'-P energy: -11.433 tors. eta vs tors. theta energy: -13.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -189.202955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.202955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.202955 (E_RNA) where: Base-Base interactions energy: -136.438 where: short stacking energy: -55.145 Base-Backbone interact. energy: -0.000 local terms energy: -52.765016 where: bonds (distance) C4'-P energy: -12.378 bonds (distance) P-C4' energy: -10.746 flat angles C4'-P-C4' energy: -12.283 flat angles P-C4'-P energy: -6.707 tors. eta vs tors. theta energy: -10.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -176.902988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.902988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.902988 (E_RNA) where: Base-Base interactions energy: -123.729 where: short stacking energy: -52.124 Base-Backbone interact. energy: -0.058 local terms energy: -53.116753 where: bonds (distance) C4'-P energy: -10.064 bonds (distance) P-C4' energy: -14.280 flat angles C4'-P-C4' energy: -9.218 flat angles P-C4'-P energy: -7.107 tors. eta vs tors. theta energy: -12.448 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: 7 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -178.187750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.187750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.187750 (E_RNA) where: Base-Base interactions energy: -132.512 where: short stacking energy: -46.992 Base-Backbone interact. energy: -0.003 local terms energy: -45.672256 where: bonds (distance) C4'-P energy: -8.780 bonds (distance) P-C4' energy: -9.009 flat angles C4'-P-C4' energy: -9.400 flat angles P-C4'-P energy: -6.529 tors. eta vs tors. theta energy: -11.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -63.038143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.038143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.038143 (E_RNA) where: Base-Base interactions energy: -21.461 where: short stacking energy: -21.461 Base-Backbone interact. energy: -0.051 local terms energy: -41.525772 where: bonds (distance) C4'-P energy: -11.769 bonds (distance) P-C4' energy: -13.994 flat angles C4'-P-C4' energy: -9.793 flat angles P-C4'-P energy: -3.718 tors. eta vs tors. theta energy: -2.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -63.985264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.985264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.985264 (E_RNA) where: Base-Base interactions energy: -22.842 where: short stacking energy: -20.372 Base-Backbone interact. energy: -0.387 local terms energy: -40.756040 where: bonds (distance) C4'-P energy: -10.162 bonds (distance) P-C4' energy: -10.158 flat angles C4'-P-C4' energy: -9.576 flat angles P-C4'-P energy: -9.255 tors. eta vs tors. theta energy: -1.605 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: 1, replica: 1 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -195.320867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.320867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.320867 (E_RNA) where: Base-Base interactions energy: -134.954 where: short stacking energy: -56.823 Base-Backbone interact. energy: -0.101 local terms energy: -60.265078 where: bonds (distance) C4'-P energy: -12.795 bonds (distance) P-C4' energy: -11.992 flat angles C4'-P-C4' energy: -12.865 flat angles P-C4'-P energy: -8.268 tors. eta vs tors. theta energy: -14.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -193.882997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.882997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.882997 (E_RNA) where: Base-Base interactions energy: -136.375 where: short stacking energy: -55.214 Base-Backbone interact. energy: -0.004 local terms energy: -57.504329 where: bonds (distance) C4'-P energy: -10.212 bonds (distance) P-C4' energy: -10.862 flat angles C4'-P-C4' energy: -13.010 flat angles P-C4'-P energy: -8.945 tors. eta vs tors. theta energy: -14.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -180.723231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.723231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.723231 (E_RNA) where: Base-Base interactions energy: -129.054 where: short stacking energy: -49.120 Base-Backbone interact. energy: -0.160 local terms energy: -51.509620 where: bonds (distance) C4'-P energy: -8.955 bonds (distance) P-C4' energy: -12.814 flat angles C4'-P-C4' energy: -11.116 flat angles P-C4'-P energy: -8.618 tors. eta vs tors. theta energy: -10.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -185.804110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.804110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.804110 (E_RNA) where: Base-Base interactions energy: -133.816 where: short stacking energy: -46.729 Base-Backbone interact. energy: -0.153 local terms energy: -51.835225 where: bonds (distance) C4'-P energy: -12.208 bonds (distance) P-C4' energy: -9.800 flat angles C4'-P-C4' energy: -13.317 flat angles P-C4'-P energy: -7.964 tors. eta vs tors. theta energy: -8.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -183.477190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.477190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.477190 (E_RNA) where: Base-Base interactions energy: -128.692 where: short stacking energy: -54.433 Base-Backbone interact. energy: -0.002 local terms energy: -54.782237 where: bonds (distance) C4'-P energy: -5.272 bonds (distance) P-C4' energy: -11.384 flat angles C4'-P-C4' energy: -11.916 flat angles P-C4'-P energy: -10.567 tors. eta vs tors. theta energy: -15.642 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: 4 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -177.207618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.207618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.207618 (E_RNA) where: Base-Base interactions energy: -126.072 where: short stacking energy: -50.368 Base-Backbone interact. energy: -0.148 local terms energy: -50.987269 where: bonds (distance) C4'-P energy: -10.411 bonds (distance) P-C4' energy: -13.057 flat angles C4'-P-C4' energy: -12.891 flat angles P-C4'-P energy: -3.075 tors. eta vs tors. theta energy: -11.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -174.304423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.304423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.304423 (E_RNA) where: Base-Base interactions energy: -120.430 where: short stacking energy: -51.569 Base-Backbone interact. energy: -0.462 local terms energy: -53.411678 where: bonds (distance) C4'-P energy: -8.344 bonds (distance) P-C4' energy: -12.313 flat angles C4'-P-C4' energy: -13.445 flat angles P-C4'-P energy: -6.700 tors. eta vs tors. theta energy: -12.610 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: 8, replica: 7 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -159.086109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.086109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.086109 (E_RNA) where: Base-Base interactions energy: -117.763 where: short stacking energy: -47.926 Base-Backbone interact. energy: -0.074 local terms energy: -41.249445 where: bonds (distance) C4'-P energy: -6.755 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -9.479 flat angles P-C4'-P energy: -7.318 tors. eta vs tors. theta energy: -9.266 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: 8 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -65.980431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.980431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.980431 (E_RNA) where: Base-Base interactions energy: -20.730 where: short stacking energy: -19.530 Base-Backbone interact. energy: -0.413 local terms energy: -44.838340 where: bonds (distance) C4'-P energy: -12.848 bonds (distance) P-C4' energy: -10.840 flat angles C4'-P-C4' energy: -11.575 flat angles P-C4'-P energy: -8.068 tors. eta vs tors. theta energy: -1.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -73.363174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.363174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.363174 (E_RNA) where: Base-Base interactions energy: -25.276 where: short stacking energy: -23.506 Base-Backbone interact. energy: -0.102 local terms energy: -47.985530 where: bonds (distance) C4'-P energy: -11.776 bonds (distance) P-C4' energy: -10.279 flat angles C4'-P-C4' energy: -9.615 flat angles P-C4'-P energy: -8.353 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: 2 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -201.457799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.457799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.457799 (E_RNA) where: Base-Base interactions energy: -137.825 where: short stacking energy: -60.916 Base-Backbone interact. energy: -0.000 local terms energy: -63.632482 where: bonds (distance) C4'-P energy: -10.547 bonds (distance) P-C4' energy: -12.448 flat angles C4'-P-C4' energy: -13.215 flat angles P-C4'-P energy: -10.138 tors. eta vs tors. theta energy: -17.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -197.382123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.382123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.382123 (E_RNA) where: Base-Base interactions energy: -137.426 where: short stacking energy: -57.481 Base-Backbone interact. energy: -0.104 local terms energy: -59.852118 where: bonds (distance) C4'-P energy: -10.225 bonds (distance) P-C4' energy: -12.106 flat angles C4'-P-C4' energy: -12.221 flat angles P-C4'-P energy: -9.471 tors. eta vs tors. theta energy: -15.829 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: 9 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -198.742092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.742092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.742092 (E_RNA) where: Base-Base interactions energy: -138.464 where: short stacking energy: -57.065 Base-Backbone interact. energy: 0.125 local terms energy: -60.402702 where: bonds (distance) C4'-P energy: -12.158 bonds (distance) P-C4' energy: -13.572 flat angles C4'-P-C4' energy: -12.167 flat angles P-C4'-P energy: -6.721 tors. eta vs tors. theta energy: -15.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -191.524262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.524262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.524262 (E_RNA) where: Base-Base interactions energy: -130.935 where: short stacking energy: -56.173 Base-Backbone interact. energy: -0.001 local terms energy: -60.588055 where: bonds (distance) C4'-P energy: -12.005 bonds (distance) P-C4' energy: -14.893 flat angles C4'-P-C4' energy: -13.863 flat angles P-C4'-P energy: -5.204 tors. eta vs tors. theta energy: -14.623 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: 4 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -189.369332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.369332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.369332 (E_RNA) where: Base-Base interactions energy: -123.518 where: short stacking energy: -53.991 Base-Backbone interact. energy: -0.067 local terms energy: -65.783731 where: bonds (distance) C4'-P energy: -11.728 bonds (distance) P-C4' energy: -13.303 flat angles C4'-P-C4' energy: -13.726 flat angles P-C4'-P energy: -10.249 tors. eta vs tors. theta energy: -16.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -184.254233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.254233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.254233 (E_RNA) where: Base-Base interactions energy: -122.216 where: short stacking energy: -51.756 Base-Backbone interact. energy: -0.030 local terms energy: -62.007760 where: bonds (distance) C4'-P energy: -13.842 bonds (distance) P-C4' energy: -12.913 flat angles C4'-P-C4' energy: -13.431 flat angles P-C4'-P energy: -5.754 tors. eta vs tors. theta energy: -16.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -173.057746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.057746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.057746 (E_RNA) where: Base-Base interactions energy: -116.683 where: short stacking energy: -47.087 Base-Backbone interact. energy: -0.161 local terms energy: -56.213121 where: bonds (distance) C4'-P energy: -8.052 bonds (distance) P-C4' energy: -12.503 flat angles C4'-P-C4' energy: -12.319 flat angles P-C4'-P energy: -9.160 tors. eta vs tors. theta energy: -14.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -168.583743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.583743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.583743 (E_RNA) where: Base-Base interactions energy: -111.438 where: short stacking energy: -35.922 Base-Backbone interact. energy: -0.073 local terms energy: -57.072933 where: bonds (distance) C4'-P energy: -12.186 bonds (distance) P-C4' energy: -13.183 flat angles C4'-P-C4' energy: -7.625 flat angles P-C4'-P energy: -8.711 tors. eta vs tors. theta energy: -15.369 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: 3 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -68.463102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.463102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.463102 (E_RNA) where: Base-Base interactions energy: -21.407 where: short stacking energy: -17.268 Base-Backbone interact. energy: -0.306 local terms energy: -46.749772 where: bonds (distance) C4'-P energy: -11.487 bonds (distance) P-C4' energy: -14.001 flat angles C4'-P-C4' energy: -14.420 flat angles P-C4'-P energy: -7.758 tors. eta vs tors. theta energy: 0.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -66.052994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.052994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.052994 (E_RNA) where: Base-Base interactions energy: -24.068 where: short stacking energy: -24.068 Base-Backbone interact. energy: -0.005 local terms energy: -41.980308 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -13.325 flat angles C4'-P-C4' energy: -11.481 flat angles P-C4'-P energy: -5.405 tors. eta vs tors. theta energy: -6.509 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: 1, replica: 2 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -204.660648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.660648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.660648 (E_RNA) where: Base-Base interactions energy: -139.426 where: short stacking energy: -58.805 Base-Backbone interact. energy: -0.007 local terms energy: -65.227728 where: bonds (distance) C4'-P energy: -13.011 bonds (distance) P-C4' energy: -13.123 flat angles C4'-P-C4' energy: -14.480 flat angles P-C4'-P energy: -9.589 tors. eta vs tors. theta energy: -15.025 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: 9 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -196.004335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.004335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.004335 (E_RNA) where: Base-Base interactions energy: -129.414 where: short stacking energy: -55.394 Base-Backbone interact. energy: 0.111 local terms energy: -66.700686 where: bonds (distance) C4'-P energy: -13.710 bonds (distance) P-C4' energy: -13.544 flat angles C4'-P-C4' energy: -12.660 flat angles P-C4'-P energy: -10.158 tors. eta vs tors. theta energy: -16.629 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: 1 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -194.433661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.433661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.433661 (E_RNA) where: Base-Base interactions energy: -137.910 where: short stacking energy: -56.291 Base-Backbone interact. energy: -0.002 local terms energy: -56.521951 where: bonds (distance) C4'-P energy: -11.917 bonds (distance) P-C4' energy: -12.767 flat angles C4'-P-C4' energy: -13.875 flat angles P-C4'-P energy: -4.744 tors. eta vs tors. theta energy: -13.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -198.096829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.096829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.096829 (E_RNA) where: Base-Base interactions energy: -138.117 where: short stacking energy: -58.926 Base-Backbone interact. energy: -0.003 local terms energy: -59.977172 where: bonds (distance) C4'-P energy: -12.850 bonds (distance) P-C4' energy: -13.518 flat angles C4'-P-C4' energy: -11.324 flat angles P-C4'-P energy: -5.265 tors. eta vs tors. theta energy: -17.020 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: 10 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -186.536382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.536382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.536382 (E_RNA) where: Base-Base interactions energy: -131.316 where: short stacking energy: -57.820 Base-Backbone interact. energy: -0.001 local terms energy: -55.219166 where: bonds (distance) C4'-P energy: -11.702 bonds (distance) P-C4' energy: -10.338 flat angles C4'-P-C4' energy: -8.964 flat angles P-C4'-P energy: -7.785 tors. eta vs tors. theta energy: -16.430 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: 393 Temperature: 1.150000 Total energy: -184.259714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.259714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.259714 (E_RNA) where: Base-Base interactions energy: -132.128 where: short stacking energy: -56.767 Base-Backbone interact. energy: -0.040 local terms energy: -52.090903 where: bonds (distance) C4'-P energy: -6.142 bonds (distance) P-C4' energy: -11.803 flat angles C4'-P-C4' energy: -11.005 flat angles P-C4'-P energy: -6.123 tors. eta vs tors. theta energy: -17.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -170.778498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.778498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.778498 (E_RNA) where: Base-Base interactions energy: -125.371 where: short stacking energy: -48.933 Base-Backbone interact. energy: -0.563 local terms energy: -44.845003 where: bonds (distance) C4'-P energy: 0.369 bonds (distance) P-C4' energy: -11.927 flat angles C4'-P-C4' energy: -13.242 flat angles P-C4'-P energy: -5.350 tors. eta vs tors. theta energy: -14.696 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: 5 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -187.038895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.038895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.038895 (E_RNA) where: Base-Base interactions energy: -130.898 where: short stacking energy: -49.209 Base-Backbone interact. energy: -0.007 local terms energy: -56.133859 where: bonds (distance) C4'-P energy: -8.482 bonds (distance) P-C4' energy: -12.806 flat angles C4'-P-C4' energy: -11.191 flat angles P-C4'-P energy: -11.151 tors. eta vs tors. theta energy: -12.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -68.171718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.171718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.171718 (E_RNA) where: Base-Base interactions energy: -28.629 where: short stacking energy: -10.656 Base-Backbone interact. energy: -0.366 local terms energy: -39.177159 where: bonds (distance) C4'-P energy: -9.446 bonds (distance) P-C4' energy: -12.463 flat angles C4'-P-C4' energy: -10.246 flat angles P-C4'-P energy: -5.742 tors. eta vs tors. theta energy: -1.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -67.460670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.460670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.460670 (E_RNA) where: Base-Base interactions energy: -29.743 where: short stacking energy: -23.567 Base-Backbone interact. energy: -0.523 local terms energy: -37.194291 where: bonds (distance) C4'-P energy: -10.287 bonds (distance) P-C4' energy: -12.827 flat angles C4'-P-C4' energy: -8.170 flat angles P-C4'-P energy: -5.262 tors. eta vs tors. theta energy: -0.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -203.252321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.252321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.252321 (E_RNA) where: Base-Base interactions energy: -139.325 where: short stacking energy: -59.104 Base-Backbone interact. energy: -0.001 local terms energy: -63.926892 where: bonds (distance) C4'-P energy: -11.677 bonds (distance) P-C4' energy: -12.331 flat angles C4'-P-C4' energy: -14.052 flat angles P-C4'-P energy: -10.586 tors. eta vs tors. theta energy: -15.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -191.676846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.676846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.676846 (E_RNA) where: Base-Base interactions energy: -128.950 where: short stacking energy: -58.022 Base-Backbone interact. energy: -0.376 local terms energy: -62.350667 where: bonds (distance) C4'-P energy: -14.236 bonds (distance) P-C4' energy: -12.144 flat angles C4'-P-C4' energy: -11.269 flat angles P-C4'-P energy: -10.090 tors. eta vs tors. theta energy: -14.612 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: 4 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -197.049111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.049111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.049111 (E_RNA) where: Base-Base interactions energy: -140.827 where: short stacking energy: -61.201 Base-Backbone interact. energy: -0.309 local terms energy: -55.913473 where: bonds (distance) C4'-P energy: -12.708 bonds (distance) P-C4' energy: -11.606 flat angles C4'-P-C4' energy: -9.667 flat angles P-C4'-P energy: -6.770 tors. eta vs tors. theta energy: -15.163 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: 1 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -191.586811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.586811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.586811 (E_RNA) where: Base-Base interactions energy: -131.924 where: short stacking energy: -52.296 Base-Backbone interact. energy: -0.000 local terms energy: -59.662605 where: bonds (distance) C4'-P energy: -9.641 bonds (distance) P-C4' energy: -13.564 flat angles C4'-P-C4' energy: -12.473 flat angles P-C4'-P energy: -8.561 tors. eta vs tors. theta energy: -15.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -185.308436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.308436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.308436 (E_RNA) where: Base-Base interactions energy: -126.512 where: short stacking energy: -54.326 Base-Backbone interact. energy: -0.074 local terms energy: -58.722100 where: bonds (distance) C4'-P energy: -9.803 bonds (distance) P-C4' energy: -12.179 flat angles C4'-P-C4' energy: -12.540 flat angles P-C4'-P energy: -9.781 tors. eta vs tors. theta energy: -14.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -185.798665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.798665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.798665 (E_RNA) where: Base-Base interactions energy: -132.323 where: short stacking energy: -55.869 Base-Backbone interact. energy: -0.069 local terms energy: -53.407359 where: bonds (distance) C4'-P energy: -8.745 bonds (distance) P-C4' energy: -12.644 flat angles C4'-P-C4' energy: -7.482 flat angles P-C4'-P energy: -10.851 tors. eta vs tors. theta energy: -13.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -170.925886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.925886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.925886 (E_RNA) where: Base-Base interactions energy: -117.533 where: short stacking energy: -50.083 Base-Backbone interact. energy: 0.642 local terms energy: -54.035740 where: bonds (distance) C4'-P energy: -12.638 bonds (distance) P-C4' energy: -8.406 flat angles C4'-P-C4' energy: -13.437 flat angles P-C4'-P energy: -6.663 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: 8, replica: 7 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -162.924560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.924560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.924560 (E_RNA) where: Base-Base interactions energy: -114.588 where: short stacking energy: -39.558 Base-Backbone interact. energy: -1.002 local terms energy: -47.334860 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -12.874 flat angles C4'-P-C4' energy: -8.666 flat angles P-C4'-P energy: -7.147 tors. eta vs tors. theta energy: -9.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -74.725871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.725871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.725871 (E_RNA) where: Base-Base interactions energy: -32.054 where: short stacking energy: -31.869 Base-Backbone interact. energy: -0.238 local terms energy: -42.433957 where: bonds (distance) C4'-P energy: -12.158 bonds (distance) P-C4' energy: -13.286 flat angles C4'-P-C4' energy: -11.453 flat angles P-C4'-P energy: -5.441 tors. eta vs tors. theta energy: -0.096 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: 3 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -59.481397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.481397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.481397 (E_RNA) where: Base-Base interactions energy: -19.876 where: short stacking energy: -15.200 Base-Backbone interact. energy: -0.017 local terms energy: -39.587676 where: bonds (distance) C4'-P energy: -11.687 bonds (distance) P-C4' energy: -12.229 flat angles C4'-P-C4' energy: -9.111 flat angles P-C4'-P energy: -5.515 tors. eta vs tors. theta energy: -1.047 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: 1, replica: 2 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -204.848944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.848944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.848944 (E_RNA) where: Base-Base interactions energy: -140.191 where: short stacking energy: -61.395 Base-Backbone interact. energy: -0.003 local terms energy: -64.654628 where: bonds (distance) C4'-P energy: -13.127 bonds (distance) P-C4' energy: -13.708 flat angles C4'-P-C4' energy: -13.659 flat angles P-C4'-P energy: -7.305 tors. eta vs tors. theta energy: -16.855 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: 4 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -181.823536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.823536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.823536 (E_RNA) where: Base-Base interactions energy: -125.958 where: short stacking energy: -52.940 Base-Backbone interact. energy: -0.062 local terms energy: -55.803581 where: bonds (distance) C4'-P energy: -12.306 bonds (distance) P-C4' energy: -12.500 flat angles C4'-P-C4' energy: -12.339 flat angles P-C4'-P energy: -7.252 tors. eta vs tors. theta energy: -11.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -187.440499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.440499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.440499 (E_RNA) where: Base-Base interactions energy: -127.474 where: short stacking energy: -57.037 Base-Backbone interact. energy: -0.056 local terms energy: -59.909890 where: bonds (distance) C4'-P energy: -12.287 bonds (distance) P-C4' energy: -11.610 flat angles C4'-P-C4' energy: -12.583 flat angles P-C4'-P energy: -7.731 tors. eta vs tors. theta energy: -15.698 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: 4, replica: 6 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -197.845798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.845798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.845798 (E_RNA) where: Base-Base interactions energy: -134.407 where: short stacking energy: -56.956 Base-Backbone interact. energy: -0.002 local terms energy: -63.436609 where: bonds (distance) C4'-P energy: -14.385 bonds (distance) P-C4' energy: -12.341 flat angles C4'-P-C4' energy: -14.166 flat angles P-C4'-P energy: -5.062 tors. eta vs tors. theta energy: -17.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -180.028191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.028191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.028191 (E_RNA) where: Base-Base interactions energy: -127.091 where: short stacking energy: -50.018 Base-Backbone interact. energy: -0.141 local terms energy: -52.796124 where: bonds (distance) C4'-P energy: -10.092 bonds (distance) P-C4' energy: -13.702 flat angles C4'-P-C4' energy: -11.601 flat angles P-C4'-P energy: -7.329 tors. eta vs tors. theta energy: -10.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -187.713420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.713420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.713420 (E_RNA) where: Base-Base interactions energy: -125.201 where: short stacking energy: -52.657 Base-Backbone interact. energy: -0.001 local terms energy: -62.511127 where: bonds (distance) C4'-P energy: -12.236 bonds (distance) P-C4' energy: -13.874 flat angles C4'-P-C4' energy: -13.674 flat angles P-C4'-P energy: -8.627 tors. eta vs tors. theta energy: -14.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -172.569957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.569957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.569957 (E_RNA) where: Base-Base interactions energy: -121.486 where: short stacking energy: -43.603 Base-Backbone interact. energy: -0.174 local terms energy: -50.909218 where: bonds (distance) C4'-P energy: -5.248 bonds (distance) P-C4' energy: -13.766 flat angles C4'-P-C4' energy: -10.523 flat angles P-C4'-P energy: -9.499 tors. eta vs tors. theta energy: -11.874 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: 7 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -183.887824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.887824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.887824 (E_RNA) where: Base-Base interactions energy: -120.335 where: short stacking energy: -43.315 Base-Backbone interact. energy: 0.349 local terms energy: -63.902348 where: bonds (distance) C4'-P energy: -12.179 bonds (distance) P-C4' energy: -14.413 flat angles C4'-P-C4' energy: -12.496 flat angles P-C4'-P energy: -8.555 tors. eta vs tors. theta energy: -16.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -70.599968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.599968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.599968 (E_RNA) where: Base-Base interactions energy: -19.300 where: short stacking energy: -19.981 Base-Backbone interact. energy: -0.147 local terms energy: -51.153119 where: bonds (distance) C4'-P energy: -13.681 bonds (distance) P-C4' energy: -14.125 flat angles C4'-P-C4' energy: -13.538 flat angles P-C4'-P energy: -7.518 tors. eta vs tors. theta energy: -2.291 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: 3 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -62.068064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.068064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.068064 (E_RNA) where: Base-Base interactions energy: -14.600 where: short stacking energy: -14.600 Base-Backbone interact. energy: -0.048 local terms energy: -47.419887 where: bonds (distance) C4'-P energy: -12.601 bonds (distance) P-C4' energy: -9.874 flat angles C4'-P-C4' energy: -11.850 flat angles P-C4'-P energy: -9.226 tors. eta vs tors. theta energy: -3.869 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: 4 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -201.923903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.923903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.923903 (E_RNA) where: Base-Base interactions energy: -133.404 where: short stacking energy: -57.787 Base-Backbone interact. energy: -0.007 local terms energy: -68.512746 where: bonds (distance) C4'-P energy: -14.066 bonds (distance) P-C4' energy: -15.598 flat angles C4'-P-C4' energy: -15.675 flat angles P-C4'-P energy: -8.729 tors. eta vs tors. theta energy: -14.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -200.207858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.207858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.207858 (E_RNA) where: Base-Base interactions energy: -135.108 where: short stacking energy: -56.650 Base-Backbone interact. energy: -0.110 local terms energy: -64.990033 where: bonds (distance) C4'-P energy: -11.107 bonds (distance) P-C4' energy: -13.408 flat angles C4'-P-C4' energy: -15.172 flat angles P-C4'-P energy: -8.037 tors. eta vs tors. theta energy: -17.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -197.631078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.631078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.631078 (E_RNA) where: Base-Base interactions energy: -134.209 where: short stacking energy: -56.095 Base-Backbone interact. energy: -0.004 local terms energy: -63.418475 where: bonds (distance) C4'-P energy: -11.197 bonds (distance) P-C4' energy: -14.628 flat angles C4'-P-C4' energy: -12.508 flat angles P-C4'-P energy: -10.244 tors. eta vs tors. theta energy: -14.840 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: 9 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -190.362377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.362377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.362377 (E_RNA) where: Base-Base interactions energy: -135.706 where: short stacking energy: -57.428 Base-Backbone interact. energy: -0.938 local terms energy: -53.718301 where: bonds (distance) C4'-P energy: -8.486 bonds (distance) P-C4' energy: -11.622 flat angles C4'-P-C4' energy: -11.034 flat angles P-C4'-P energy: -8.507 tors. eta vs tors. theta energy: -14.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -194.427017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.427017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.427017 (E_RNA) where: Base-Base interactions energy: -127.464 where: short stacking energy: -53.479 Base-Backbone interact. energy: 0.190 local terms energy: -67.153217 where: bonds (distance) C4'-P energy: -14.803 bonds (distance) P-C4' energy: -11.319 flat angles C4'-P-C4' energy: -14.397 flat angles P-C4'-P energy: -10.434 tors. eta vs tors. theta energy: -16.200 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: 1 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -183.479633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.479633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.479633 (E_RNA) where: Base-Base interactions energy: -126.097 where: short stacking energy: -56.304 Base-Backbone interact. energy: -0.001 local terms energy: -57.381901 where: bonds (distance) C4'-P energy: -13.560 bonds (distance) P-C4' energy: -9.250 flat angles C4'-P-C4' energy: -13.832 flat angles P-C4'-P energy: -7.585 tors. eta vs tors. theta energy: -13.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -188.135786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.135786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.135786 (E_RNA) where: Base-Base interactions energy: -131.831 where: short stacking energy: -52.269 Base-Backbone interact. energy: -0.013 local terms energy: -56.291905 where: bonds (distance) C4'-P energy: -13.222 bonds (distance) P-C4' energy: -11.346 flat angles C4'-P-C4' energy: -12.044 flat angles P-C4'-P energy: -6.792 tors. eta vs tors. theta energy: -12.888 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: 5 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -172.097573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.097573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.097573 (E_RNA) where: Base-Base interactions energy: -113.216 where: short stacking energy: -45.263 Base-Backbone interact. energy: -0.009 local terms energy: -58.872074 where: bonds (distance) C4'-P energy: -12.863 bonds (distance) P-C4' energy: -12.926 flat angles C4'-P-C4' energy: -12.818 flat angles P-C4'-P energy: -8.692 tors. eta vs tors. theta energy: -11.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -61.802266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.802266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.802266 (E_RNA) where: Base-Base interactions energy: -22.306 where: short stacking energy: -22.306 Base-Backbone interact. energy: -0.105 local terms energy: -39.390446 where: bonds (distance) C4'-P energy: -11.027 bonds (distance) P-C4' energy: -10.404 flat angles C4'-P-C4' energy: -9.890 flat angles P-C4'-P energy: -4.335 tors. eta vs tors. theta energy: -3.734 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: 10, replica: 8 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -68.929272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.929272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.929272 (E_RNA) where: Base-Base interactions energy: -25.795 where: short stacking energy: -24.730 Base-Backbone interact. energy: -0.099 local terms energy: -43.035439 where: bonds (distance) C4'-P energy: -11.215 bonds (distance) P-C4' energy: -14.871 flat angles C4'-P-C4' energy: -12.189 flat angles P-C4'-P energy: -7.134 tors. eta vs tors. theta energy: 2.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -197.703249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.703249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.703249 (E_RNA) where: Base-Base interactions energy: -136.534 where: short stacking energy: -60.949 Base-Backbone interact. energy: -0.011 local terms energy: -61.157954 where: bonds (distance) C4'-P energy: -12.599 bonds (distance) P-C4' energy: -11.908 flat angles C4'-P-C4' energy: -12.934 flat angles P-C4'-P energy: -8.895 tors. eta vs tors. theta energy: -14.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -198.607785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.607785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.607785 (E_RNA) where: Base-Base interactions energy: -133.447 where: short stacking energy: -53.777 Base-Backbone interact. energy: -0.004 local terms energy: -65.156246 where: bonds (distance) C4'-P energy: -13.602 bonds (distance) P-C4' energy: -12.256 flat angles C4'-P-C4' energy: -12.922 flat angles P-C4'-P energy: -10.858 tors. eta vs tors. theta energy: -15.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -197.058074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.058074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.058074 (E_RNA) where: Base-Base interactions energy: -131.581 where: short stacking energy: -52.053 Base-Backbone interact. energy: -0.002 local terms energy: -65.475221 where: bonds (distance) C4'-P energy: -12.799 bonds (distance) P-C4' energy: -13.655 flat angles C4'-P-C4' energy: -12.142 flat angles P-C4'-P energy: -11.104 tors. eta vs tors. theta energy: -15.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -191.851166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.851166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.851166 (E_RNA) where: Base-Base interactions energy: -134.418 where: short stacking energy: -54.980 Base-Backbone interact. energy: -0.002 local terms energy: -57.431239 where: bonds (distance) C4'-P energy: -9.417 bonds (distance) P-C4' energy: -11.187 flat angles C4'-P-C4' energy: -12.962 flat angles P-C4'-P energy: -8.760 tors. eta vs tors. theta energy: -15.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -180.563954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.563954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.563954 (E_RNA) where: Base-Base interactions energy: -120.515 where: short stacking energy: -48.155 Base-Backbone interact. energy: -0.003 local terms energy: -60.045725 where: bonds (distance) C4'-P energy: -14.447 bonds (distance) P-C4' energy: -12.567 flat angles C4'-P-C4' energy: -13.333 flat angles P-C4'-P energy: -6.505 tors. eta vs tors. theta energy: -13.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -186.384399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.384399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.384399 (E_RNA) where: Base-Base interactions energy: -119.465 where: short stacking energy: -53.597 Base-Backbone interact. energy: -1.509 local terms energy: -65.410503 where: bonds (distance) C4'-P energy: -9.165 bonds (distance) P-C4' energy: -13.991 flat angles C4'-P-C4' energy: -14.137 flat angles P-C4'-P energy: -12.165 tors. eta vs tors. theta energy: -15.953 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: 1 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -183.897521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.897521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.897521 (E_RNA) where: Base-Base interactions energy: -126.405 where: short stacking energy: -55.446 Base-Backbone interact. energy: -0.004 local terms energy: -57.488636 where: bonds (distance) C4'-P energy: -11.497 bonds (distance) P-C4' energy: -12.567 flat angles C4'-P-C4' energy: -14.583 flat angles P-C4'-P energy: -8.343 tors. eta vs tors. theta energy: -10.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -168.685009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.685009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.685009 (E_RNA) where: Base-Base interactions energy: -118.501 where: short stacking energy: -53.032 Base-Backbone interact. energy: -0.050 local terms energy: -50.134349 where: bonds (distance) C4'-P energy: -10.718 bonds (distance) P-C4' energy: -6.555 flat angles C4'-P-C4' energy: -12.678 flat angles P-C4'-P energy: -8.277 tors. eta vs tors. theta energy: -11.907 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: 3 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -74.014809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.014809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.014809 (E_RNA) where: Base-Base interactions energy: -33.613 where: short stacking energy: -33.603 Base-Backbone interact. energy: -0.133 local terms energy: -40.269213 where: bonds (distance) C4'-P energy: -11.052 bonds (distance) P-C4' energy: -9.612 flat angles C4'-P-C4' energy: -9.590 flat angles P-C4'-P energy: -4.914 tors. eta vs tors. theta energy: -5.101 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: 8 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -61.243637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.243637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.243637 (E_RNA) where: Base-Base interactions energy: -22.613 where: short stacking energy: -22.613 Base-Backbone interact. energy: -0.105 local terms energy: -38.526503 where: bonds (distance) C4'-P energy: -10.464 bonds (distance) P-C4' energy: -11.557 flat angles C4'-P-C4' energy: -13.055 flat angles P-C4'-P energy: -2.624 tors. eta vs tors. theta energy: -0.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -202.836272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.836272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.836272 (E_RNA) where: Base-Base interactions energy: -137.165 where: short stacking energy: -61.330 Base-Backbone interact. energy: -0.206 local terms energy: -65.466213 where: bonds (distance) C4'-P energy: -9.766 bonds (distance) P-C4' energy: -14.872 flat angles C4'-P-C4' energy: -13.885 flat angles P-C4'-P energy: -8.886 tors. eta vs tors. theta energy: -18.056 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: 4 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -201.744647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.744647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.744647 (E_RNA) where: Base-Base interactions energy: -140.278 where: short stacking energy: -60.842 Base-Backbone interact. energy: -0.230 local terms energy: -61.235820 where: bonds (distance) C4'-P energy: -9.840 bonds (distance) P-C4' energy: -14.321 flat angles C4'-P-C4' energy: -13.639 flat angles P-C4'-P energy: -8.692 tors. eta vs tors. theta energy: -14.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -200.414249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.414249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.414249 (E_RNA) where: Base-Base interactions energy: -138.960 where: short stacking energy: -61.810 Base-Backbone interact. energy: -0.271 local terms energy: -61.183629 where: bonds (distance) C4'-P energy: -13.690 bonds (distance) P-C4' energy: -7.852 flat angles C4'-P-C4' energy: -13.629 flat angles P-C4'-P energy: -9.835 tors. eta vs tors. theta energy: -16.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -187.587250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.587250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.587250 (E_RNA) where: Base-Base interactions energy: -130.204 where: short stacking energy: -58.937 Base-Backbone interact. energy: 0.383 local terms energy: -57.765785 where: bonds (distance) C4'-P energy: -5.605 bonds (distance) P-C4' energy: -14.290 flat angles C4'-P-C4' energy: -13.455 flat angles P-C4'-P energy: -7.867 tors. eta vs tors. theta energy: -16.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -189.992968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.992968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.992968 (E_RNA) where: Base-Base interactions energy: -134.259 where: short stacking energy: -53.956 Base-Backbone interact. energy: -0.005 local terms energy: -55.728740 where: bonds (distance) C4'-P energy: -10.057 bonds (distance) P-C4' energy: -12.599 flat angles C4'-P-C4' energy: -13.415 flat angles P-C4'-P energy: -6.247 tors. eta vs tors. theta energy: -13.411 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: 10 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -183.092520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.092520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.092520 (E_RNA) where: Base-Base interactions energy: -124.939 where: short stacking energy: -53.410 Base-Backbone interact. energy: -0.003 local terms energy: -58.150367 where: bonds (distance) C4'-P energy: -8.246 bonds (distance) P-C4' energy: -10.199 flat angles C4'-P-C4' energy: -13.397 flat angles P-C4'-P energy: -11.167 tors. eta vs tors. theta energy: -15.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -164.322646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.322646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.322646 (E_RNA) where: Base-Base interactions energy: -109.284 where: short stacking energy: -50.281 Base-Backbone interact. energy: -0.013 local terms energy: -55.026322 where: bonds (distance) C4'-P energy: -10.607 bonds (distance) P-C4' energy: -12.887 flat angles C4'-P-C4' energy: -13.536 flat angles P-C4'-P energy: -7.587 tors. eta vs tors. theta energy: -10.408 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: 8, replica: 1 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -171.747232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.747232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.747232 (E_RNA) where: Base-Base interactions energy: -116.472 where: short stacking energy: -49.373 Base-Backbone interact. energy: -1.094 local terms energy: -54.181413 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -14.836 flat angles C4'-P-C4' energy: -11.463 flat angles P-C4'-P energy: -11.525 tors. eta vs tors. theta energy: -10.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -58.968040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.968040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.968040 (E_RNA) where: Base-Base interactions energy: -21.109 where: short stacking energy: -19.650 Base-Backbone interact. energy: -0.129 local terms energy: -37.730300 where: bonds (distance) C4'-P energy: -12.891 bonds (distance) P-C4' energy: -8.703 flat angles C4'-P-C4' energy: -8.938 flat angles P-C4'-P energy: -7.104 tors. eta vs tors. theta energy: -0.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -61.027737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.027737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.027737 (E_RNA) where: Base-Base interactions energy: -18.824 where: short stacking energy: -18.824 Base-Backbone interact. energy: 0.125 local terms energy: -42.329343 where: bonds (distance) C4'-P energy: -11.269 bonds (distance) P-C4' energy: -14.457 flat angles C4'-P-C4' energy: -8.474 flat angles P-C4'-P energy: -6.665 tors. eta vs tors. theta energy: -1.465 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: 6 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -198.547066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.547066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.547066 (E_RNA) where: Base-Base interactions energy: -137.883 where: short stacking energy: -60.783 Base-Backbone interact. energy: -0.243 local terms energy: -60.421214 where: bonds (distance) C4'-P energy: -13.718 bonds (distance) P-C4' energy: -10.383 flat angles C4'-P-C4' energy: -13.626 flat angles P-C4'-P energy: -6.463 tors. eta vs tors. theta energy: -16.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -202.367061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.367061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.367061 (E_RNA) where: Base-Base interactions energy: -136.677 where: short stacking energy: -56.455 Base-Backbone interact. energy: 0.141 local terms energy: -65.831902 where: bonds (distance) C4'-P energy: -12.281 bonds (distance) P-C4' energy: -15.548 flat angles C4'-P-C4' energy: -13.112 flat angles P-C4'-P energy: -9.054 tors. eta vs tors. theta energy: -15.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -201.928206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.928206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.928206 (E_RNA) where: Base-Base interactions energy: -138.305 where: short stacking energy: -55.831 Base-Backbone interact. energy: -0.337 local terms energy: -63.285974 where: bonds (distance) C4'-P energy: -10.103 bonds (distance) P-C4' energy: -12.563 flat angles C4'-P-C4' energy: -12.041 flat angles P-C4'-P energy: -11.071 tors. eta vs tors. theta energy: -17.508 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: 7 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -192.353192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.353192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.353192 (E_RNA) where: Base-Base interactions energy: -134.953 where: short stacking energy: -53.945 Base-Backbone interact. energy: -0.062 local terms energy: -57.338283 where: bonds (distance) C4'-P energy: -9.102 bonds (distance) P-C4' energy: -12.493 flat angles C4'-P-C4' energy: -13.103 flat angles P-C4'-P energy: -7.160 tors. eta vs tors. theta energy: -15.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -188.834453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.834453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.834453 (E_RNA) where: Base-Base interactions energy: -131.865 where: short stacking energy: -51.114 Base-Backbone interact. energy: -0.095 local terms energy: -56.874495 where: bonds (distance) C4'-P energy: -9.715 bonds (distance) P-C4' energy: -12.606 flat angles C4'-P-C4' energy: -11.349 flat angles P-C4'-P energy: -5.892 tors. eta vs tors. theta energy: -17.313 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: 5 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -178.568016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.568016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.568016 (E_RNA) where: Base-Base interactions energy: -125.234 where: short stacking energy: -49.013 Base-Backbone interact. energy: -0.153 local terms energy: -53.180901 where: bonds (distance) C4'-P energy: -2.367 bonds (distance) P-C4' energy: -14.262 flat angles C4'-P-C4' energy: -14.065 flat angles P-C4'-P energy: -5.221 tors. eta vs tors. theta energy: -17.266 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: 7, replica: 10 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -169.054913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.054913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.054913 (E_RNA) where: Base-Base interactions energy: -109.423 where: short stacking energy: -42.683 Base-Backbone interact. energy: -0.056 local terms energy: -59.576131 where: bonds (distance) C4'-P energy: -13.317 bonds (distance) P-C4' energy: -13.395 flat angles C4'-P-C4' energy: -13.143 flat angles P-C4'-P energy: -7.770 tors. eta vs tors. theta energy: -11.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -179.950650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.950650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.950650 (E_RNA) where: Base-Base interactions energy: -125.934 where: short stacking energy: -50.649 Base-Backbone interact. energy: -0.026 local terms energy: -53.991128 where: bonds (distance) C4'-P energy: -13.121 bonds (distance) P-C4' energy: -11.554 flat angles C4'-P-C4' energy: -11.513 flat angles P-C4'-P energy: -7.031 tors. eta vs tors. theta energy: -10.772 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: 8 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -72.285387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.285387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.285387 (E_RNA) where: Base-Base interactions energy: -23.014 where: short stacking energy: -23.014 Base-Backbone interact. energy: -0.210 local terms energy: -49.061085 where: bonds (distance) C4'-P energy: -12.005 bonds (distance) P-C4' energy: -12.392 flat angles C4'-P-C4' energy: -13.365 flat angles P-C4'-P energy: -8.239 tors. eta vs tors. theta energy: -3.060 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: 3 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -59.478682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.478682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.478682 (E_RNA) where: Base-Base interactions energy: -19.081 where: short stacking energy: -19.081 Base-Backbone interact. energy: -0.089 local terms energy: -40.308492 where: bonds (distance) C4'-P energy: -13.168 bonds (distance) P-C4' energy: -10.141 flat angles C4'-P-C4' energy: -8.630 flat angles P-C4'-P energy: -7.149 tors. eta vs tors. theta energy: -1.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -200.849119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.849119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.849119 (E_RNA) where: Base-Base interactions energy: -143.991 where: short stacking energy: -61.498 Base-Backbone interact. energy: -0.004 local terms energy: -56.854011 where: bonds (distance) C4'-P energy: -11.144 bonds (distance) P-C4' energy: -10.898 flat angles C4'-P-C4' energy: -11.791 flat angles P-C4'-P energy: -7.899 tors. eta vs tors. theta energy: -15.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -197.781436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.781436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.781436 (E_RNA) where: Base-Base interactions energy: -134.652 where: short stacking energy: -50.784 Base-Backbone interact. energy: -0.030 local terms energy: -63.099201 where: bonds (distance) C4'-P energy: -11.553 bonds (distance) P-C4' energy: -13.923 flat angles C4'-P-C4' energy: -11.370 flat angles P-C4'-P energy: -10.901 tors. eta vs tors. theta energy: -15.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -193.352907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.352907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.352907 (E_RNA) where: Base-Base interactions energy: -130.239 where: short stacking energy: -49.265 Base-Backbone interact. energy: -0.157 local terms energy: -62.956730 where: bonds (distance) C4'-P energy: -11.864 bonds (distance) P-C4' energy: -13.840 flat angles C4'-P-C4' energy: -13.796 flat angles P-C4'-P energy: -9.083 tors. eta vs tors. theta energy: -14.374 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: 7 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -198.201197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.201197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.201197 (E_RNA) where: Base-Base interactions energy: -132.962 where: short stacking energy: -57.665 Base-Backbone interact. energy: -0.001 local terms energy: -65.238833 where: bonds (distance) C4'-P energy: -13.300 bonds (distance) P-C4' energy: -13.737 flat angles C4'-P-C4' energy: -14.283 flat angles P-C4'-P energy: -8.397 tors. eta vs tors. theta energy: -15.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -182.381995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.381995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.381995 (E_RNA) where: Base-Base interactions energy: -128.564 where: short stacking energy: -54.590 Base-Backbone interact. energy: 0.750 local terms energy: -54.567301 where: bonds (distance) C4'-P energy: -11.907 bonds (distance) P-C4' energy: -8.949 flat angles C4'-P-C4' energy: -9.735 flat angles P-C4'-P energy: -11.285 tors. eta vs tors. theta energy: -12.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -174.220659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.220659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.220659 (E_RNA) where: Base-Base interactions energy: -115.614 where: short stacking energy: -44.304 Base-Backbone interact. energy: -0.003 local terms energy: -58.603783 where: bonds (distance) C4'-P energy: -9.621 bonds (distance) P-C4' energy: -13.991 flat angles C4'-P-C4' energy: -12.994 flat angles P-C4'-P energy: -9.149 tors. eta vs tors. theta energy: -12.848 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: 1 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -167.439882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.439882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.439882 (E_RNA) where: Base-Base interactions energy: -109.766 where: short stacking energy: -42.958 Base-Backbone interact. energy: -0.131 local terms energy: -57.542641 where: bonds (distance) C4'-P energy: -8.280 bonds (distance) P-C4' energy: -12.790 flat angles C4'-P-C4' energy: -12.386 flat angles P-C4'-P energy: -7.063 tors. eta vs tors. theta energy: -17.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -160.102171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.102171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.102171 (E_RNA) where: Base-Base interactions energy: -106.848 where: short stacking energy: -40.963 Base-Backbone interact. energy: -0.120 local terms energy: -53.134105 where: bonds (distance) C4'-P energy: -11.620 bonds (distance) P-C4' energy: -14.262 flat angles C4'-P-C4' energy: -11.114 flat angles P-C4'-P energy: -7.224 tors. eta vs tors. theta energy: -8.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -70.279178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.279178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.279178 (E_RNA) where: Base-Base interactions energy: -32.719 where: short stacking energy: -26.594 Base-Backbone interact. energy: -0.013 local terms energy: -37.547136 where: bonds (distance) C4'-P energy: -11.338 bonds (distance) P-C4' energy: -5.630 flat angles C4'-P-C4' energy: -10.266 flat angles P-C4'-P energy: -6.226 tors. eta vs tors. theta energy: -4.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -58.599822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.599822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.599822 (E_RNA) where: Base-Base interactions energy: -23.142 where: short stacking energy: -18.069 Base-Backbone interact. energy: -1.474 local terms energy: -33.983686 where: bonds (distance) C4'-P energy: -8.560 bonds (distance) P-C4' energy: -11.269 flat angles C4'-P-C4' energy: -9.971 flat angles P-C4'-P energy: -6.382 tors. eta vs tors. theta energy: 2.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -205.782433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.782433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.782433 (E_RNA) where: Base-Base interactions energy: -142.375 where: short stacking energy: -63.580 Base-Backbone interact. energy: -0.009 local terms energy: -63.398532 where: bonds (distance) C4'-P energy: -12.492 bonds (distance) P-C4' energy: -14.370 flat angles C4'-P-C4' energy: -13.462 flat angles P-C4'-P energy: -7.157 tors. eta vs tors. theta energy: -15.918 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: 6 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -200.318947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.318947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.318947 (E_RNA) where: Base-Base interactions energy: -138.170 where: short stacking energy: -59.935 Base-Backbone interact. energy: -0.041 local terms energy: -62.107401 where: bonds (distance) C4'-P energy: -11.980 bonds (distance) P-C4' energy: -12.932 flat angles C4'-P-C4' energy: -14.445 flat angles P-C4'-P energy: -6.328 tors. eta vs tors. theta energy: -16.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -197.791329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.791329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.791329 (E_RNA) where: Base-Base interactions energy: -137.161 where: short stacking energy: -58.975 Base-Backbone interact. energy: -0.008 local terms energy: -60.622224 where: bonds (distance) C4'-P energy: -7.765 bonds (distance) P-C4' energy: -13.803 flat angles C4'-P-C4' energy: -13.700 flat angles P-C4'-P energy: -10.030 tors. eta vs tors. theta energy: -15.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -188.577456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.577456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.577456 (E_RNA) where: Base-Base interactions energy: -137.033 where: short stacking energy: -56.877 Base-Backbone interact. energy: -0.022 local terms energy: -51.521798 where: bonds (distance) C4'-P energy: -9.570 bonds (distance) P-C4' energy: -8.784 flat angles C4'-P-C4' energy: -12.398 flat angles P-C4'-P energy: -6.495 tors. eta vs tors. theta energy: -14.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -186.577215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.577215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.577215 (E_RNA) where: Base-Base interactions energy: -121.866 where: short stacking energy: -51.280 Base-Backbone interact. energy: -0.159 local terms energy: -64.551897 where: bonds (distance) C4'-P energy: -14.108 bonds (distance) P-C4' energy: -13.343 flat angles C4'-P-C4' energy: -13.174 flat angles P-C4'-P energy: -8.171 tors. eta vs tors. theta energy: -15.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -190.591072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.591072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.591072 (E_RNA) where: Base-Base interactions energy: -135.230 where: short stacking energy: -55.934 Base-Backbone interact. energy: -0.000 local terms energy: -55.361124 where: bonds (distance) C4'-P energy: -10.253 bonds (distance) P-C4' energy: -10.797 flat angles C4'-P-C4' energy: -10.572 flat angles P-C4'-P energy: -8.326 tors. eta vs tors. theta energy: -15.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -177.340120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.340120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.340120 (E_RNA) where: Base-Base interactions energy: -122.733 where: short stacking energy: -50.969 Base-Backbone interact. energy: -0.085 local terms energy: -54.521968 where: bonds (distance) C4'-P energy: -9.301 bonds (distance) P-C4' energy: -14.001 flat angles C4'-P-C4' energy: -12.317 flat angles P-C4'-P energy: -4.751 tors. eta vs tors. theta energy: -14.151 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: 10 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -178.170487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.170487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.170487 (E_RNA) where: Base-Base interactions energy: -121.965 where: short stacking energy: -51.804 Base-Backbone interact. energy: -0.000 local terms energy: -56.205659 where: bonds (distance) C4'-P energy: -13.106 bonds (distance) P-C4' energy: -9.763 flat angles C4'-P-C4' energy: -11.691 flat angles P-C4'-P energy: -7.081 tors. eta vs tors. theta energy: -14.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -73.247469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.247469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.247469 (E_RNA) where: Base-Base interactions energy: -30.599 where: short stacking energy: -25.593 Base-Backbone interact. energy: -0.193 local terms energy: -42.455808 where: bonds (distance) C4'-P energy: -14.617 bonds (distance) P-C4' energy: -11.650 flat angles C4'-P-C4' energy: -9.815 flat angles P-C4'-P energy: -6.565 tors. eta vs tors. theta energy: 0.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -61.550094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.550094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.550094 (E_RNA) where: Base-Base interactions energy: -23.729 where: short stacking energy: -23.729 Base-Backbone interact. energy: -0.039 local terms energy: -37.781771 where: bonds (distance) C4'-P energy: -9.776 bonds (distance) P-C4' energy: -11.305 flat angles C4'-P-C4' energy: -8.145 flat angles P-C4'-P energy: -8.156 tors. eta vs tors. theta energy: -0.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -208.522688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.522688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.522688 (E_RNA) where: Base-Base interactions energy: -146.359 where: short stacking energy: -62.211 Base-Backbone interact. energy: -0.000 local terms energy: -62.163721 where: bonds (distance) C4'-P energy: -13.391 bonds (distance) P-C4' energy: -12.184 flat angles C4'-P-C4' energy: -12.863 flat angles P-C4'-P energy: -8.302 tors. eta vs tors. theta energy: -15.424 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: 6 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -200.258590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.258590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.258590 (E_RNA) where: Base-Base interactions energy: -139.272 where: short stacking energy: -60.284 Base-Backbone interact. energy: -0.000 local terms energy: -60.986539 where: bonds (distance) C4'-P energy: -13.234 bonds (distance) P-C4' energy: -12.011 flat angles C4'-P-C4' energy: -13.021 flat angles P-C4'-P energy: -7.073 tors. eta vs tors. theta energy: -15.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -194.802184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.802184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.802184 (E_RNA) where: Base-Base interactions energy: -135.328 where: short stacking energy: -60.087 Base-Backbone interact. energy: -0.003 local terms energy: -59.471437 where: bonds (distance) C4'-P energy: -9.704 bonds (distance) P-C4' energy: -12.193 flat angles C4'-P-C4' energy: -12.116 flat angles P-C4'-P energy: -8.538 tors. eta vs tors. theta energy: -16.919 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: 5 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -184.504183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.504183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.504183 (E_RNA) where: Base-Base interactions energy: -128.882 where: short stacking energy: -49.186 Base-Backbone interact. energy: -0.045 local terms energy: -55.577294 where: bonds (distance) C4'-P energy: -13.880 bonds (distance) P-C4' energy: -12.860 flat angles C4'-P-C4' energy: -10.984 flat angles P-C4'-P energy: -1.799 tors. eta vs tors. theta energy: -16.054 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: 7 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -181.086896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.086896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.086896 (E_RNA) where: Base-Base interactions energy: -119.296 where: short stacking energy: -50.392 Base-Backbone interact. energy: -0.082 local terms energy: -61.708990 where: bonds (distance) C4'-P energy: -9.123 bonds (distance) P-C4' energy: -14.290 flat angles C4'-P-C4' energy: -14.583 flat angles P-C4'-P energy: -10.482 tors. eta vs tors. theta energy: -13.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -195.521201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.521201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.521201 (E_RNA) where: Base-Base interactions energy: -133.911 where: short stacking energy: -57.929 Base-Backbone interact. energy: 0.214 local terms energy: -61.824119 where: bonds (distance) C4'-P energy: -11.235 bonds (distance) P-C4' energy: -13.028 flat angles C4'-P-C4' energy: -12.844 flat angles P-C4'-P energy: -10.123 tors. eta vs tors. theta energy: -14.595 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: 10 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -181.859956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.859956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.859956 (E_RNA) where: Base-Base interactions energy: -125.506 where: short stacking energy: -50.851 Base-Backbone interact. energy: -0.018 local terms energy: -56.335516 where: bonds (distance) C4'-P energy: -12.054 bonds (distance) P-C4' energy: -12.892 flat angles C4'-P-C4' energy: -10.269 flat angles P-C4'-P energy: -3.926 tors. eta vs tors. theta energy: -17.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -188.652776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.652776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.652776 (E_RNA) where: Base-Base interactions energy: -131.737 where: short stacking energy: -52.996 Base-Backbone interact. energy: -0.009 local terms energy: -56.906989 where: bonds (distance) C4'-P energy: -10.368 bonds (distance) P-C4' energy: -12.448 flat angles C4'-P-C4' energy: -10.752 flat angles P-C4'-P energy: -6.633 tors. eta vs tors. theta energy: -16.707 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: 8 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -80.259684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.259684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.259684 (E_RNA) where: Base-Base interactions energy: -36.591 where: short stacking energy: -18.353 Base-Backbone interact. energy: -0.111 local terms energy: -43.558419 where: bonds (distance) C4'-P energy: -10.254 bonds (distance) P-C4' energy: -10.341 flat angles C4'-P-C4' energy: -10.911 flat angles P-C4'-P energy: -9.421 tors. eta vs tors. theta energy: -2.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -63.955034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.955034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.955034 (E_RNA) where: Base-Base interactions energy: -25.577 where: short stacking energy: -21.397 Base-Backbone interact. energy: -0.042 local terms energy: -38.336516 where: bonds (distance) C4'-P energy: -6.883 bonds (distance) P-C4' energy: -13.110 flat angles C4'-P-C4' energy: -9.103 flat angles P-C4'-P energy: -3.360 tors. eta vs tors. theta energy: -5.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -204.956756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.956756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.956756 (E_RNA) where: Base-Base interactions energy: -137.730 where: short stacking energy: -58.856 Base-Backbone interact. energy: -0.006 local terms energy: -67.220683 where: bonds (distance) C4'-P energy: -12.406 bonds (distance) P-C4' energy: -13.779 flat angles C4'-P-C4' energy: -13.486 flat angles P-C4'-P energy: -10.800 tors. eta vs tors. theta energy: -16.750 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: 6 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -201.861016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.861016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.861016 (E_RNA) where: Base-Base interactions energy: -137.793 where: short stacking energy: -55.864 Base-Backbone interact. energy: 0.988 local terms energy: -65.056023 where: bonds (distance) C4'-P energy: -10.196 bonds (distance) P-C4' energy: -14.047 flat angles C4'-P-C4' energy: -13.709 flat angles P-C4'-P energy: -10.946 tors. eta vs tors. theta energy: -16.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -195.223714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.223714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.223714 (E_RNA) where: Base-Base interactions energy: -134.966 where: short stacking energy: -51.790 Base-Backbone interact. energy: -0.802 local terms energy: -59.455083 where: bonds (distance) C4'-P energy: -11.694 bonds (distance) P-C4' energy: -14.914 flat angles C4'-P-C4' energy: -8.743 flat angles P-C4'-P energy: -7.284 tors. eta vs tors. theta energy: -16.819 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: 7 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -181.544417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.544417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.544417 (E_RNA) where: Base-Base interactions energy: -127.748 where: short stacking energy: -49.837 Base-Backbone interact. energy: -0.153 local terms energy: -53.644045 where: bonds (distance) C4'-P energy: -9.456 bonds (distance) P-C4' energy: -11.529 flat angles C4'-P-C4' energy: -11.647 flat angles P-C4'-P energy: -7.976 tors. eta vs tors. theta energy: -13.036 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: 5, replica: 5 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -184.727404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.727404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.727404 (E_RNA) where: Base-Base interactions energy: -123.871 where: short stacking energy: -51.610 Base-Backbone interact. energy: -0.227 local terms energy: -60.629356 where: bonds (distance) C4'-P energy: -14.038 bonds (distance) P-C4' energy: -11.589 flat angles C4'-P-C4' energy: -13.106 flat angles P-C4'-P energy: -8.499 tors. eta vs tors. theta energy: -13.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -176.106572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.106572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.106572 (E_RNA) where: Base-Base interactions energy: -125.383 where: short stacking energy: -54.110 Base-Backbone interact. energy: -0.001 local terms energy: -50.722303 where: bonds (distance) C4'-P energy: -9.108 bonds (distance) P-C4' energy: -13.941 flat angles C4'-P-C4' energy: -11.072 flat angles P-C4'-P energy: -3.155 tors. eta vs tors. theta energy: -13.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -166.804314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.804314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.804314 (E_RNA) where: Base-Base interactions energy: -115.813 where: short stacking energy: -52.270 Base-Backbone interact. energy: -0.072 local terms energy: -50.919119 where: bonds (distance) C4'-P energy: -10.238 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -10.735 flat angles P-C4'-P energy: -10.575 tors. eta vs tors. theta energy: -12.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -70.372190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.372190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.372190 (E_RNA) where: Base-Base interactions energy: -31.018 where: short stacking energy: -31.018 Base-Backbone interact. energy: -0.009 local terms energy: -39.345336 where: bonds (distance) C4'-P energy: -13.710 bonds (distance) P-C4' energy: -9.679 flat angles C4'-P-C4' energy: -8.603 flat angles P-C4'-P energy: -0.588 tors. eta vs tors. theta energy: -6.765 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: 9 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -158.340422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.340422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.340422 (E_RNA) where: Base-Base interactions energy: -113.862 where: short stacking energy: -43.674 Base-Backbone interact. energy: -0.159 local terms energy: -44.319862 where: bonds (distance) C4'-P energy: -11.872 bonds (distance) P-C4' energy: -7.813 flat angles C4'-P-C4' energy: -10.474 flat angles P-C4'-P energy: -7.076 tors. eta vs tors. theta energy: -7.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -60.178465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.178465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.178465 (E_RNA) where: Base-Base interactions energy: -12.915 where: short stacking energy: -12.915 Base-Backbone interact. energy: -0.108 local terms energy: -47.155925 where: bonds (distance) C4'-P energy: -14.199 bonds (distance) P-C4' energy: -14.847 flat angles C4'-P-C4' energy: -11.718 flat angles P-C4'-P energy: -5.532 tors. eta vs tors. theta energy: -0.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -206.281426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.281426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.281426 (E_RNA) where: Base-Base interactions energy: -138.846 where: short stacking energy: -56.068 Base-Backbone interact. energy: -0.001 local terms energy: -67.434752 where: bonds (distance) C4'-P energy: -12.353 bonds (distance) P-C4' energy: -15.795 flat angles C4'-P-C4' energy: -13.617 flat angles P-C4'-P energy: -8.838 tors. eta vs tors. theta energy: -16.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -199.852353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.852353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.852353 (E_RNA) where: Base-Base interactions energy: -139.827 where: short stacking energy: -60.964 Base-Backbone interact. energy: -0.005 local terms energy: -60.020016 where: bonds (distance) C4'-P energy: -11.363 bonds (distance) P-C4' energy: -8.141 flat angles C4'-P-C4' energy: -14.404 flat angles P-C4'-P energy: -10.274 tors. eta vs tors. theta energy: -15.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -195.058062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.058062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.058062 (E_RNA) where: Base-Base interactions energy: -135.620 where: short stacking energy: -59.529 Base-Backbone interact. energy: -0.004 local terms energy: -59.434353 where: bonds (distance) C4'-P energy: -14.386 bonds (distance) P-C4' energy: -11.911 flat angles C4'-P-C4' energy: -10.252 flat angles P-C4'-P energy: -6.876 tors. eta vs tors. theta energy: -16.009 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: 7 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -194.856409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.856409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.856409 (E_RNA) where: Base-Base interactions energy: -131.607 where: short stacking energy: -57.781 Base-Backbone interact. energy: -0.178 local terms energy: -63.071827 where: bonds (distance) C4'-P energy: -13.620 bonds (distance) P-C4' energy: -13.301 flat angles C4'-P-C4' energy: -12.345 flat angles P-C4'-P energy: -5.523 tors. eta vs tors. theta energy: -18.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -191.677569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.677569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.677569 (E_RNA) where: Base-Base interactions energy: -136.951 where: short stacking energy: -55.925 Base-Backbone interact. energy: 0.095 local terms energy: -54.821440 where: bonds (distance) C4'-P energy: -10.602 bonds (distance) P-C4' energy: -6.762 flat angles C4'-P-C4' energy: -13.372 flat angles P-C4'-P energy: -9.514 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: 6, replica: 1 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -183.467389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.467389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.467389 (E_RNA) where: Base-Base interactions energy: -126.304 where: short stacking energy: -58.379 Base-Backbone interact. energy: -0.135 local terms energy: -57.028456 where: bonds (distance) C4'-P energy: -7.000 bonds (distance) P-C4' energy: -14.668 flat angles C4'-P-C4' energy: -11.980 flat angles P-C4'-P energy: -7.542 tors. eta vs tors. theta energy: -15.838 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: 10 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -189.315769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.315769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.315769 (E_RNA) where: Base-Base interactions energy: -130.046 where: short stacking energy: -55.874 Base-Backbone interact. energy: -0.010 local terms energy: -59.259823 where: bonds (distance) C4'-P energy: -11.831 bonds (distance) P-C4' energy: -11.718 flat angles C4'-P-C4' energy: -12.580 flat angles P-C4'-P energy: -7.946 tors. eta vs tors. theta energy: -15.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -77.515208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.515208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.515208 (E_RNA) where: Base-Base interactions energy: -34.462 where: short stacking energy: -34.462 Base-Backbone interact. energy: -0.076 local terms energy: -42.976450 where: bonds (distance) C4'-P energy: -7.025 bonds (distance) P-C4' energy: -11.856 flat angles C4'-P-C4' energy: -7.427 flat angles P-C4'-P energy: -8.298 tors. eta vs tors. theta energy: -8.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -169.979799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.979799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.979799 (E_RNA) where: Base-Base interactions energy: -120.549 where: short stacking energy: -51.432 Base-Backbone interact. energy: -0.080 local terms energy: -49.350152 where: bonds (distance) C4'-P energy: -6.809 bonds (distance) P-C4' energy: -11.024 flat angles C4'-P-C4' energy: -9.478 flat angles P-C4'-P energy: -6.845 tors. eta vs tors. theta energy: -15.194 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: 3 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -77.209647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.209647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.209647 (E_RNA) where: Base-Base interactions energy: -31.643 where: short stacking energy: -25.650 Base-Backbone interact. energy: -0.047 local terms energy: -45.519731 where: bonds (distance) C4'-P energy: -13.176 bonds (distance) P-C4' energy: -11.442 flat angles C4'-P-C4' energy: -10.878 flat angles P-C4'-P energy: -6.041 tors. eta vs tors. theta energy: -3.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -202.468721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.468721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.468721 (E_RNA) where: Base-Base interactions energy: -143.002 where: short stacking energy: -60.783 Base-Backbone interact. energy: -0.073 local terms energy: -59.393040 where: bonds (distance) C4'-P energy: -11.640 bonds (distance) P-C4' energy: -14.152 flat angles C4'-P-C4' energy: -11.539 flat angles P-C4'-P energy: -7.576 tors. eta vs tors. theta energy: -14.485 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: 4 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -188.785816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.785816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.785816 (E_RNA) where: Base-Base interactions energy: -129.224 where: short stacking energy: -56.654 Base-Backbone interact. energy: -0.062 local terms energy: -59.499532 where: bonds (distance) C4'-P energy: -12.340 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -14.465 flat angles P-C4'-P energy: -8.912 tors. eta vs tors. theta energy: -14.205 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: 2 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -201.025923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.025923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.025923 (E_RNA) where: Base-Base interactions energy: -136.736 where: short stacking energy: -58.628 Base-Backbone interact. energy: -0.004 local terms energy: -64.285350 where: bonds (distance) C4'-P energy: -14.090 bonds (distance) P-C4' energy: -12.745 flat angles C4'-P-C4' energy: -14.746 flat angles P-C4'-P energy: -7.734 tors. eta vs tors. theta energy: -14.970 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: 4, replica: 5 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -197.311250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.311250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.311250 (E_RNA) where: Base-Base interactions energy: -136.467 where: short stacking energy: -55.079 Base-Backbone interact. energy: -0.024 local terms energy: -60.820260 where: bonds (distance) C4'-P energy: -11.933 bonds (distance) P-C4' energy: -12.533 flat angles C4'-P-C4' energy: -11.878 flat angles P-C4'-P energy: -8.676 tors. eta vs tors. theta energy: -15.801 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: 7 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -180.518720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.518720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.518720 (E_RNA) where: Base-Base interactions energy: -123.832 where: short stacking energy: -48.890 Base-Backbone interact. energy: -0.049 local terms energy: -56.637377 where: bonds (distance) C4'-P energy: -12.199 bonds (distance) P-C4' energy: -13.246 flat angles C4'-P-C4' energy: -12.690 flat angles P-C4'-P energy: -6.163 tors. eta vs tors. theta energy: -12.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -183.182973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.182973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.182973 (E_RNA) where: Base-Base interactions energy: -121.169 where: short stacking energy: -50.849 Base-Backbone interact. energy: -0.002 local terms energy: -62.011997 where: bonds (distance) C4'-P energy: -12.679 bonds (distance) P-C4' energy: -10.852 flat angles C4'-P-C4' energy: -14.664 flat angles P-C4'-P energy: -6.374 tors. eta vs tors. theta energy: -17.443 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: 1 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -179.665738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.665738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.665738 (E_RNA) where: Base-Base interactions energy: -122.966 where: short stacking energy: -54.477 Base-Backbone interact. energy: -0.129 local terms energy: -56.570794 where: bonds (distance) C4'-P energy: -12.593 bonds (distance) P-C4' energy: -9.769 flat angles C4'-P-C4' energy: -11.322 flat angles P-C4'-P energy: -6.228 tors. eta vs tors. theta energy: -16.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -162.147535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.147535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.147535 (E_RNA) where: Base-Base interactions energy: -109.360 where: short stacking energy: -43.427 Base-Backbone interact. energy: 0.241 local terms energy: -53.028002 where: bonds (distance) C4'-P energy: -11.355 bonds (distance) P-C4' energy: -9.878 flat angles C4'-P-C4' energy: -13.422 flat angles P-C4'-P energy: -8.212 tors. eta vs tors. theta energy: -10.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -86.055486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.055486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.055486 (E_RNA) where: Base-Base interactions energy: -43.260 where: short stacking energy: -43.260 Base-Backbone interact. energy: -0.083 local terms energy: -42.712271 where: bonds (distance) C4'-P energy: -11.938 bonds (distance) P-C4' energy: -6.202 flat angles C4'-P-C4' energy: -7.735 flat angles P-C4'-P energy: -6.591 tors. eta vs tors. theta energy: -10.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -59.141438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.141438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.141438 (E_RNA) where: Base-Base interactions energy: -26.219 where: short stacking energy: -19.554 Base-Backbone interact. energy: -0.013 local terms energy: -32.909398 where: bonds (distance) C4'-P energy: -11.690 bonds (distance) P-C4' energy: -12.820 flat angles C4'-P-C4' energy: -7.961 flat angles P-C4'-P energy: -1.876 tors. eta vs tors. theta energy: 1.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -201.608204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.608204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.608204 (E_RNA) where: Base-Base interactions energy: -135.266 where: short stacking energy: -54.366 Base-Backbone interact. energy: -0.006 local terms energy: -66.336492 where: bonds (distance) C4'-P energy: -14.154 bonds (distance) P-C4' energy: -13.085 flat angles C4'-P-C4' energy: -12.099 flat angles P-C4'-P energy: -10.064 tors. eta vs tors. theta energy: -16.935 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: 4 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -207.747834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.747834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.747834 (E_RNA) where: Base-Base interactions energy: -142.469 where: short stacking energy: -59.978 Base-Backbone interact. energy: -0.675 local terms energy: -64.604293 where: bonds (distance) C4'-P energy: -10.192 bonds (distance) P-C4' energy: -13.606 flat angles C4'-P-C4' energy: -14.961 flat angles P-C4'-P energy: -9.515 tors. eta vs tors. theta energy: -16.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -196.255135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.255135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.255135 (E_RNA) where: Base-Base interactions energy: -136.193 where: short stacking energy: -56.659 Base-Backbone interact. energy: -0.079 local terms energy: -59.982886 where: bonds (distance) C4'-P energy: -11.710 bonds (distance) P-C4' energy: -12.338 flat angles C4'-P-C4' energy: -11.408 flat angles P-C4'-P energy: -6.497 tors. eta vs tors. theta energy: -18.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -197.913494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.913494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.913494 (E_RNA) where: Base-Base interactions energy: -132.276 where: short stacking energy: -57.066 Base-Backbone interact. energy: -0.149 local terms energy: -65.488182 where: bonds (distance) C4'-P energy: -11.968 bonds (distance) P-C4' energy: -14.638 flat angles C4'-P-C4' energy: -11.227 flat angles P-C4'-P energy: -10.072 tors. eta vs tors. theta energy: -17.583 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: 10 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -190.744216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.744216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.744216 (E_RNA) where: Base-Base interactions energy: -133.524 where: short stacking energy: -50.627 Base-Backbone interact. energy: -0.001 local terms energy: -57.219528 where: bonds (distance) C4'-P energy: -12.161 bonds (distance) P-C4' energy: -11.033 flat angles C4'-P-C4' energy: -11.768 flat angles P-C4'-P energy: -6.947 tors. eta vs tors. theta energy: -15.311 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: 7 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -185.806065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.806065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.806065 (E_RNA) where: Base-Base interactions energy: -130.785 where: short stacking energy: -56.405 Base-Backbone interact. energy: -0.434 local terms energy: -54.586380 where: bonds (distance) C4'-P energy: -9.203 bonds (distance) P-C4' energy: -9.899 flat angles C4'-P-C4' energy: -13.662 flat angles P-C4'-P energy: -5.958 tors. eta vs tors. theta energy: -15.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -163.143066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.143066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.143066 (E_RNA) where: Base-Base interactions energy: -113.289 where: short stacking energy: -43.805 Base-Backbone interact. energy: -0.002 local terms energy: -49.851489 where: bonds (distance) C4'-P energy: -13.917 bonds (distance) P-C4' energy: -8.963 flat angles C4'-P-C4' energy: -10.198 flat angles P-C4'-P energy: -5.718 tors. eta vs tors. theta energy: -11.055 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: 1 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -171.777879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.777879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.777879 (E_RNA) where: Base-Base interactions energy: -119.499 where: short stacking energy: -51.248 Base-Backbone interact. energy: -0.001 local terms energy: -52.277938 where: bonds (distance) C4'-P energy: -9.774 bonds (distance) P-C4' energy: -12.560 flat angles C4'-P-C4' energy: -11.318 flat angles P-C4'-P energy: -3.839 tors. eta vs tors. theta energy: -14.787 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: 8 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -62.984979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.984979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.984979 (E_RNA) where: Base-Base interactions energy: -28.279 where: short stacking energy: -27.151 Base-Backbone interact. energy: -0.005 local terms energy: -34.701059 where: bonds (distance) C4'-P energy: -4.130 bonds (distance) P-C4' energy: -12.810 flat angles C4'-P-C4' energy: -9.656 flat angles P-C4'-P energy: -2.621 tors. eta vs tors. theta energy: -5.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -67.565353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.565353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.565353 (E_RNA) where: Base-Base interactions energy: -25.273 where: short stacking energy: -22.021 Base-Backbone interact. energy: -0.119 local terms energy: -42.173249 where: bonds (distance) C4'-P energy: -8.370 bonds (distance) P-C4' energy: -14.839 flat angles C4'-P-C4' energy: -8.361 flat angles P-C4'-P energy: -7.960 tors. eta vs tors. theta energy: -2.643 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: 6 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -202.545220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.545220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.545220 (E_RNA) where: Base-Base interactions energy: -138.461 where: short stacking energy: -61.895 Base-Backbone interact. energy: -0.001 local terms energy: -64.083743 where: bonds (distance) C4'-P energy: -12.459 bonds (distance) P-C4' energy: -13.754 flat angles C4'-P-C4' energy: -14.020 flat angles P-C4'-P energy: -8.587 tors. eta vs tors. theta energy: -15.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -204.808960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.808960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.808960 (E_RNA) where: Base-Base interactions energy: -138.487 where: short stacking energy: -59.371 Base-Backbone interact. energy: -0.001 local terms energy: -66.321298 where: bonds (distance) C4'-P energy: -13.504 bonds (distance) P-C4' energy: -13.485 flat angles C4'-P-C4' energy: -13.378 flat angles P-C4'-P energy: -8.696 tors. eta vs tors. theta energy: -17.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -193.818394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.818394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.818394 (E_RNA) where: Base-Base interactions energy: -133.062 where: short stacking energy: -51.496 Base-Backbone interact. energy: -1.046 local terms energy: -59.709589 where: bonds (distance) C4'-P energy: -13.028 bonds (distance) P-C4' energy: -11.840 flat angles C4'-P-C4' energy: -11.055 flat angles P-C4'-P energy: -6.994 tors. eta vs tors. theta energy: -16.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -198.075741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.075741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.075741 (E_RNA) where: Base-Base interactions energy: -140.384 where: short stacking energy: -57.604 Base-Backbone interact. energy: -0.000 local terms energy: -57.691649 where: bonds (distance) C4'-P energy: -8.128 bonds (distance) P-C4' energy: -11.860 flat angles C4'-P-C4' energy: -15.570 flat angles P-C4'-P energy: -7.846 tors. eta vs tors. theta energy: -14.286 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: 2 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -188.961694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.961694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.961694 (E_RNA) where: Base-Base interactions energy: -122.192 where: short stacking energy: -55.536 Base-Backbone interact. energy: -0.005 local terms energy: -66.765060 where: bonds (distance) C4'-P energy: -12.787 bonds (distance) P-C4' energy: -13.311 flat angles C4'-P-C4' energy: -12.227 flat angles P-C4'-P energy: -11.623 tors. eta vs tors. theta energy: -16.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -176.943821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.943821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.943821 (E_RNA) where: Base-Base interactions energy: -132.149 where: short stacking energy: -48.216 Base-Backbone interact. energy: -0.043 local terms energy: -44.751402 where: bonds (distance) C4'-P energy: -6.946 bonds (distance) P-C4' energy: -10.504 flat angles C4'-P-C4' energy: -9.836 flat angles P-C4'-P energy: -4.678 tors. eta vs tors. theta energy: -12.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -165.910788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.910788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.910788 (E_RNA) where: Base-Base interactions energy: -107.367 where: short stacking energy: -45.063 Base-Backbone interact. energy: -0.063 local terms energy: -58.480978 where: bonds (distance) C4'-P energy: -12.742 bonds (distance) P-C4' energy: -13.303 flat angles C4'-P-C4' energy: -11.277 flat angles P-C4'-P energy: -10.631 tors. eta vs tors. theta energy: -10.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -143.313742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.313742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.313742 (E_RNA) where: Base-Base interactions energy: -100.396 where: short stacking energy: -40.008 Base-Backbone interact. energy: -0.117 local terms energy: -42.800988 where: bonds (distance) C4'-P energy: -8.347 bonds (distance) P-C4' energy: -14.187 flat angles C4'-P-C4' energy: -6.786 flat angles P-C4'-P energy: -7.116 tors. eta vs tors. theta energy: -6.365 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: 9, replica: 8 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -76.288021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.288021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.288021 (E_RNA) where: Base-Base interactions energy: -26.905 where: short stacking energy: -24.995 Base-Backbone interact. energy: 0.367 local terms energy: -49.750111 where: bonds (distance) C4'-P energy: -10.700 bonds (distance) P-C4' energy: -11.217 flat angles C4'-P-C4' energy: -14.231 flat angles P-C4'-P energy: -8.654 tors. eta vs tors. theta energy: -4.948 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: 3 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -62.671080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.671080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.671080 (E_RNA) where: Base-Base interactions energy: -29.309 where: short stacking energy: -27.107 Base-Backbone interact. energy: -0.025 local terms energy: -33.337380 where: bonds (distance) C4'-P energy: -7.042 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -10.994 flat angles P-C4'-P energy: -4.330 tors. eta vs tors. theta energy: -4.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -202.779141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.779141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.779141 (E_RNA) where: Base-Base interactions energy: -136.472 where: short stacking energy: -54.741 Base-Backbone interact. energy: -0.003 local terms energy: -66.304400 where: bonds (distance) C4'-P energy: -12.120 bonds (distance) P-C4' energy: -13.923 flat angles C4'-P-C4' energy: -12.362 flat angles P-C4'-P energy: -11.700 tors. eta vs tors. theta energy: -16.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -202.922496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.922496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.922496 (E_RNA) where: Base-Base interactions energy: -139.463 where: short stacking energy: -57.851 Base-Backbone interact. energy: -0.001 local terms energy: -63.457665 where: bonds (distance) C4'-P energy: -12.341 bonds (distance) P-C4' energy: -12.542 flat angles C4'-P-C4' energy: -13.650 flat angles P-C4'-P energy: -6.844 tors. eta vs tors. theta energy: -18.081 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: 10 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -196.276131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.276131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.276131 (E_RNA) where: Base-Base interactions energy: -135.397 where: short stacking energy: -59.092 Base-Backbone interact. energy: -0.003 local terms energy: -60.876686 where: bonds (distance) C4'-P energy: -10.850 bonds (distance) P-C4' energy: -11.761 flat angles C4'-P-C4' energy: -11.919 flat angles P-C4'-P energy: -10.540 tors. eta vs tors. theta energy: -15.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -195.807393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.807393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.807393 (E_RNA) where: Base-Base interactions energy: -138.216 where: short stacking energy: -57.396 Base-Backbone interact. energy: -0.081 local terms energy: -57.510282 where: bonds (distance) C4'-P energy: -7.737 bonds (distance) P-C4' energy: -11.644 flat angles C4'-P-C4' energy: -14.723 flat angles P-C4'-P energy: -6.931 tors. eta vs tors. theta energy: -16.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -181.945854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.945854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.945854 (E_RNA) where: Base-Base interactions energy: -125.028 where: short stacking energy: -46.819 Base-Backbone interact. energy: -0.600 local terms energy: -56.317815 where: bonds (distance) C4'-P energy: -10.398 bonds (distance) P-C4' energy: -11.483 flat angles C4'-P-C4' energy: -13.343 flat angles P-C4'-P energy: -8.893 tors. eta vs tors. theta energy: -12.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -183.851968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.851968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.851968 (E_RNA) where: Base-Base interactions energy: -130.437 where: short stacking energy: -53.326 Base-Backbone interact. energy: -0.002 local terms energy: -53.413055 where: bonds (distance) C4'-P energy: -12.187 bonds (distance) P-C4' energy: -13.984 flat angles C4'-P-C4' energy: -8.773 flat angles P-C4'-P energy: -6.871 tors. eta vs tors. theta energy: -11.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -140.761580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.761580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.761580 (E_RNA) where: Base-Base interactions energy: -90.654 where: short stacking energy: -35.401 Base-Backbone interact. energy: -0.125 local terms energy: -49.982291 where: bonds (distance) C4'-P energy: -12.187 bonds (distance) P-C4' energy: -10.115 flat angles C4'-P-C4' energy: -11.290 flat angles P-C4'-P energy: -8.583 tors. eta vs tors. theta energy: -7.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -178.110676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.110676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.110676 (E_RNA) where: Base-Base interactions energy: -126.392 where: short stacking energy: -50.455 Base-Backbone interact. energy: -0.083 local terms energy: -51.635963 where: bonds (distance) C4'-P energy: -9.012 bonds (distance) P-C4' energy: -8.535 flat angles C4'-P-C4' energy: -11.548 flat angles P-C4'-P energy: -6.108 tors. eta vs tors. theta energy: -16.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -62.030499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.030499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.030499 (E_RNA) where: Base-Base interactions energy: -21.505 where: short stacking energy: -21.505 Base-Backbone interact. energy: -0.151 local terms energy: -40.374572 where: bonds (distance) C4'-P energy: -13.114 bonds (distance) P-C4' energy: -14.131 flat angles C4'-P-C4' energy: -11.063 flat angles P-C4'-P energy: -3.950 tors. eta vs tors. theta energy: 1.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -64.138613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.138613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.138613 (E_RNA) where: Base-Base interactions energy: -32.839 where: short stacking energy: -29.470 Base-Backbone interact. energy: 2.475 local terms energy: -33.774807 where: bonds (distance) C4'-P energy: -9.839 bonds (distance) P-C4' energy: -9.262 flat angles C4'-P-C4' energy: -6.324 flat angles P-C4'-P energy: -6.786 tors. eta vs tors. theta energy: -1.563 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: 6 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -206.562048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.562048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.562048 (E_RNA) where: Base-Base interactions energy: -140.911 where: short stacking energy: -61.144 Base-Backbone interact. energy: -1.054 local terms energy: -64.596873 where: bonds (distance) C4'-P energy: -10.552 bonds (distance) P-C4' energy: -13.479 flat angles C4'-P-C4' energy: -13.216 flat angles P-C4'-P energy: -10.064 tors. eta vs tors. theta energy: -17.286 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: 10 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -203.346842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.346842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.346842 (E_RNA) where: Base-Base interactions energy: -139.077 where: short stacking energy: -58.421 Base-Backbone interact. energy: -0.001 local terms energy: -64.269100 where: bonds (distance) C4'-P energy: -12.477 bonds (distance) P-C4' energy: -12.843 flat angles C4'-P-C4' energy: -14.069 flat angles P-C4'-P energy: -8.828 tors. eta vs tors. theta energy: -16.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -199.795875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.795875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.795875 (E_RNA) where: Base-Base interactions energy: -137.279 where: short stacking energy: -61.786 Base-Backbone interact. energy: -0.078 local terms energy: -62.439298 where: bonds (distance) C4'-P energy: -13.193 bonds (distance) P-C4' energy: -10.390 flat angles C4'-P-C4' energy: -14.957 flat angles P-C4'-P energy: -8.819 tors. eta vs tors. theta energy: -15.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -194.347108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.347108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.347108 (E_RNA) where: Base-Base interactions energy: -128.163 where: short stacking energy: -49.856 Base-Backbone interact. energy: -0.638 local terms energy: -65.546172 where: bonds (distance) C4'-P energy: -12.220 bonds (distance) P-C4' energy: -14.911 flat angles C4'-P-C4' energy: -12.895 flat angles P-C4'-P energy: -10.168 tors. eta vs tors. theta energy: -15.353 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: 9 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -196.711455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.711455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.711455 (E_RNA) where: Base-Base interactions energy: -138.012 where: short stacking energy: -59.075 Base-Backbone interact. energy: 0.116 local terms energy: -58.815664 where: bonds (distance) C4'-P energy: -9.466 bonds (distance) P-C4' energy: -12.174 flat angles C4'-P-C4' energy: -13.468 flat angles P-C4'-P energy: -7.894 tors. eta vs tors. theta energy: -15.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -190.596928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.596928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.596928 (E_RNA) where: Base-Base interactions energy: -128.673 where: short stacking energy: -52.184 Base-Backbone interact. energy: -0.000 local terms energy: -61.923336 where: bonds (distance) C4'-P energy: -11.566 bonds (distance) P-C4' energy: -14.199 flat angles C4'-P-C4' energy: -11.213 flat angles P-C4'-P energy: -7.999 tors. eta vs tors. theta energy: -16.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -171.060540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.060540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.060540 (E_RNA) where: Base-Base interactions energy: -112.786 where: short stacking energy: -47.214 Base-Backbone interact. energy: -0.138 local terms energy: -58.136900 where: bonds (distance) C4'-P energy: -11.524 bonds (distance) P-C4' energy: -12.852 flat angles C4'-P-C4' energy: -12.226 flat angles P-C4'-P energy: -5.916 tors. eta vs tors. theta energy: -15.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -170.397896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.397896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.397896 (E_RNA) where: Base-Base interactions energy: -115.412 where: short stacking energy: -38.141 Base-Backbone interact. energy: -0.140 local terms energy: -54.845391 where: bonds (distance) C4'-P energy: -12.886 bonds (distance) P-C4' energy: -12.742 flat angles C4'-P-C4' energy: -10.035 flat angles P-C4'-P energy: -7.131 tors. eta vs tors. theta energy: -12.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -60.208886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.208886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.208886 (E_RNA) where: Base-Base interactions energy: -19.707 where: short stacking energy: -12.883 Base-Backbone interact. energy: -0.074 local terms energy: -40.427905 where: bonds (distance) C4'-P energy: -9.567 bonds (distance) P-C4' energy: -13.672 flat angles C4'-P-C4' energy: -12.222 flat angles P-C4'-P energy: -3.700 tors. eta vs tors. theta energy: -1.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -57.897591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.897591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.897591 (E_RNA) where: Base-Base interactions energy: -25.922 where: short stacking energy: -14.736 Base-Backbone interact. energy: -0.127 local terms energy: -31.849459 where: bonds (distance) C4'-P energy: -12.050 bonds (distance) P-C4' energy: -6.445 flat angles C4'-P-C4' energy: -8.012 flat angles P-C4'-P energy: -8.613 tors. eta vs tors. theta energy: 3.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -203.569735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.569735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.569735 (E_RNA) where: Base-Base interactions energy: -136.872 where: short stacking energy: -54.343 Base-Backbone interact. energy: -0.866 local terms energy: -65.831530 where: bonds (distance) C4'-P energy: -12.778 bonds (distance) P-C4' energy: -13.243 flat angles C4'-P-C4' energy: -12.438 flat angles P-C4'-P energy: -10.463 tors. eta vs tors. theta energy: -16.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -203.145481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.145481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.145481 (E_RNA) where: Base-Base interactions energy: -137.517 where: short stacking energy: -57.268 Base-Backbone interact. energy: -0.002 local terms energy: -65.626363 where: bonds (distance) C4'-P energy: -12.485 bonds (distance) P-C4' energy: -11.512 flat angles C4'-P-C4' energy: -14.422 flat angles P-C4'-P energy: -10.193 tors. eta vs tors. theta energy: -17.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -195.072409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.072409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.072409 (E_RNA) where: Base-Base interactions energy: -129.903 where: short stacking energy: -56.066 Base-Backbone interact. energy: -0.001 local terms energy: -65.168582 where: bonds (distance) C4'-P energy: -11.967 bonds (distance) P-C4' energy: -13.007 flat angles C4'-P-C4' energy: -13.569 flat angles P-C4'-P energy: -9.810 tors. eta vs tors. theta energy: -16.816 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: 5 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -201.009567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.009567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.009567 (E_RNA) where: Base-Base interactions energy: -137.058 where: short stacking energy: -59.508 Base-Backbone interact. energy: -0.001 local terms energy: -63.950915 where: bonds (distance) C4'-P energy: -13.462 bonds (distance) P-C4' energy: -13.507 flat angles C4'-P-C4' energy: -13.402 flat angles P-C4'-P energy: -8.044 tors. eta vs tors. theta energy: -15.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -187.901668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.901668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.901668 (E_RNA) where: Base-Base interactions energy: -131.543 where: short stacking energy: -53.397 Base-Backbone interact. energy: -1.018 local terms energy: -55.340860 where: bonds (distance) C4'-P energy: -11.222 bonds (distance) P-C4' energy: -9.438 flat angles C4'-P-C4' energy: -10.605 flat angles P-C4'-P energy: -8.730 tors. eta vs tors. theta energy: -15.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -181.045257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.045257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.045257 (E_RNA) where: Base-Base interactions energy: -127.405 where: short stacking energy: -54.513 Base-Backbone interact. energy: -0.002 local terms energy: -53.638366 where: bonds (distance) C4'-P energy: -8.481 bonds (distance) P-C4' energy: -14.343 flat angles C4'-P-C4' energy: -8.225 flat angles P-C4'-P energy: -8.578 tors. eta vs tors. theta energy: -14.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -188.839156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.839156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.839156 (E_RNA) where: Base-Base interactions energy: -131.612 where: short stacking energy: -57.039 Base-Backbone interact. energy: -0.026 local terms energy: -57.200719 where: bonds (distance) C4'-P energy: -11.090 bonds (distance) P-C4' energy: -10.100 flat angles C4'-P-C4' energy: -12.536 flat angles P-C4'-P energy: -7.957 tors. eta vs tors. theta energy: -15.519 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: 1 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -165.951816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.951816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.951816 (E_RNA) where: Base-Base interactions energy: -103.899 where: short stacking energy: -41.195 Base-Backbone interact. energy: -0.030 local terms energy: -62.023711 where: bonds (distance) C4'-P energy: -14.579 bonds (distance) P-C4' energy: -13.541 flat angles C4'-P-C4' energy: -12.623 flat angles P-C4'-P energy: -9.488 tors. eta vs tors. theta energy: -11.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -72.569112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.569112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.569112 (E_RNA) where: Base-Base interactions energy: -26.074 where: short stacking energy: -26.074 Base-Backbone interact. energy: -0.010 local terms energy: -46.485610 where: bonds (distance) C4'-P energy: -10.281 bonds (distance) P-C4' energy: -12.972 flat angles C4'-P-C4' energy: -12.195 flat angles P-C4'-P energy: -6.581 tors. eta vs tors. theta energy: -4.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -63.434912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.434912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.434912 (E_RNA) where: Base-Base interactions energy: -21.805 where: short stacking energy: -20.646 Base-Backbone interact. energy: -0.091 local terms energy: -41.538557 where: bonds (distance) C4'-P energy: -9.652 bonds (distance) P-C4' energy: -13.024 flat angles C4'-P-C4' energy: -10.998 flat angles P-C4'-P energy: -5.575 tors. eta vs tors. theta energy: -2.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -204.692891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.692891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.692891 (E_RNA) where: Base-Base interactions energy: -134.160 where: short stacking energy: -60.250 Base-Backbone interact. energy: -0.358 local terms energy: -70.174439 where: bonds (distance) C4'-P energy: -12.161 bonds (distance) P-C4' energy: -14.184 flat angles C4'-P-C4' energy: -14.756 flat angles P-C4'-P energy: -11.224 tors. eta vs tors. theta energy: -17.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -200.450522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.450522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.450522 (E_RNA) where: Base-Base interactions energy: -133.904 where: short stacking energy: -56.821 Base-Backbone interact. energy: -0.001 local terms energy: -66.544921 where: bonds (distance) C4'-P energy: -13.015 bonds (distance) P-C4' energy: -12.542 flat angles C4'-P-C4' energy: -12.955 flat angles P-C4'-P energy: -10.297 tors. eta vs tors. theta energy: -17.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -183.781778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.781778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.781778 (E_RNA) where: Base-Base interactions energy: -127.530 where: short stacking energy: -49.615 Base-Backbone interact. energy: -0.947 local terms energy: -55.304768 where: bonds (distance) C4'-P energy: -8.155 bonds (distance) P-C4' energy: -11.407 flat angles C4'-P-C4' energy: -11.890 flat angles P-C4'-P energy: -11.405 tors. eta vs tors. theta energy: -12.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -196.740822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.740822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.740822 (E_RNA) where: Base-Base interactions energy: -134.623 where: short stacking energy: -53.252 Base-Backbone interact. energy: -0.010 local terms energy: -62.108268 where: bonds (distance) C4'-P energy: -11.297 bonds (distance) P-C4' energy: -14.653 flat angles C4'-P-C4' energy: -13.981 flat angles P-C4'-P energy: -7.089 tors. eta vs tors. theta energy: -15.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -195.365419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.365419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.365419 (E_RNA) where: Base-Base interactions energy: -134.355 where: short stacking energy: -63.793 Base-Backbone interact. energy: -0.006 local terms energy: -61.004055 where: bonds (distance) C4'-P energy: -13.772 bonds (distance) P-C4' energy: -6.700 flat angles C4'-P-C4' energy: -13.388 flat angles P-C4'-P energy: -10.859 tors. eta vs tors. theta energy: -16.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -180.889919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.889919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.889919 (E_RNA) where: Base-Base interactions energy: -127.548 where: short stacking energy: -53.876 Base-Backbone interact. energy: -0.016 local terms energy: -53.325774 where: bonds (distance) C4'-P energy: -11.172 bonds (distance) P-C4' energy: -12.303 flat angles C4'-P-C4' energy: -12.322 flat angles P-C4'-P energy: -4.055 tors. eta vs tors. theta energy: -13.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -188.137952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.137952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.137952 (E_RNA) where: Base-Base interactions energy: -127.300 where: short stacking energy: -56.589 Base-Backbone interact. energy: -0.120 local terms energy: -60.717885 where: bonds (distance) C4'-P energy: -13.814 bonds (distance) P-C4' energy: -12.592 flat angles C4'-P-C4' energy: -10.253 flat angles P-C4'-P energy: -9.676 tors. eta vs tors. theta energy: -14.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -169.991755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.991755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.991755 (E_RNA) where: Base-Base interactions energy: -118.255 where: short stacking energy: -56.884 Base-Backbone interact. energy: -0.001 local terms energy: -51.735466 where: bonds (distance) C4'-P energy: -9.784 bonds (distance) P-C4' energy: -10.361 flat angles C4'-P-C4' energy: -8.234 flat angles P-C4'-P energy: -7.084 tors. eta vs tors. theta energy: -16.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -82.097889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.097889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.097889 (E_RNA) where: Base-Base interactions energy: -38.740 where: short stacking energy: -30.782 Base-Backbone interact. energy: -0.156 local terms energy: -43.202343 where: bonds (distance) C4'-P energy: -10.874 bonds (distance) P-C4' energy: -6.919 flat angles C4'-P-C4' energy: -12.491 flat angles P-C4'-P energy: -7.650 tors. eta vs tors. theta energy: -5.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -61.040953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.040953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.040953 (E_RNA) where: Base-Base interactions energy: -24.090 where: short stacking energy: -17.172 Base-Backbone interact. energy: -0.278 local terms energy: -36.672944 where: bonds (distance) C4'-P energy: -6.512 bonds (distance) P-C4' energy: -12.036 flat angles C4'-P-C4' energy: -12.183 flat angles P-C4'-P energy: -5.017 tors. eta vs tors. theta energy: -0.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -206.575980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.575980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.575980 (E_RNA) where: Base-Base interactions energy: -139.967 where: short stacking energy: -60.897 Base-Backbone interact. energy: -0.001 local terms energy: -66.608511 where: bonds (distance) C4'-P energy: -12.422 bonds (distance) P-C4' energy: -13.113 flat angles C4'-P-C4' energy: -14.807 flat angles P-C4'-P energy: -9.084 tors. eta vs tors. theta energy: -17.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -189.121204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.121204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.121204 (E_RNA) where: Base-Base interactions energy: -131.483 where: short stacking energy: -54.965 Base-Backbone interact. energy: -0.001 local terms energy: -57.637793 where: bonds (distance) C4'-P energy: -10.858 bonds (distance) P-C4' energy: -13.141 flat angles C4'-P-C4' energy: -10.367 flat angles P-C4'-P energy: -8.928 tors. eta vs tors. theta energy: -14.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -196.820278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.820278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.820278 (E_RNA) where: Base-Base interactions energy: -141.207 where: short stacking energy: -61.433 Base-Backbone interact. energy: -0.000 local terms energy: -55.612625 where: bonds (distance) C4'-P energy: -12.388 bonds (distance) P-C4' energy: -9.266 flat angles C4'-P-C4' energy: -13.307 flat angles P-C4'-P energy: -5.106 tors. eta vs tors. theta energy: -15.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -188.708382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.708382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.708382 (E_RNA) where: Base-Base interactions energy: -131.629 where: short stacking energy: -55.410 Base-Backbone interact. energy: -0.009 local terms energy: -57.069979 where: bonds (distance) C4'-P energy: -11.798 bonds (distance) P-C4' energy: -10.665 flat angles C4'-P-C4' energy: -10.515 flat angles P-C4'-P energy: -9.176 tors. eta vs tors. theta energy: -14.916 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: 5, replica: 7 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -166.047120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.047120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.047120 (E_RNA) where: Base-Base interactions energy: -111.726 where: short stacking energy: -46.509 Base-Backbone interact. energy: -0.176 local terms energy: -54.145143 where: bonds (distance) C4'-P energy: -9.029 bonds (distance) P-C4' energy: -13.708 flat angles C4'-P-C4' energy: -9.724 flat angles P-C4'-P energy: -10.192 tors. eta vs tors. theta energy: -11.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -173.013053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.013053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.013053 (E_RNA) where: Base-Base interactions energy: -122.361 where: short stacking energy: -42.799 Base-Backbone interact. energy: -0.219 local terms energy: -50.433671 where: bonds (distance) C4'-P energy: -9.554 bonds (distance) P-C4' energy: -7.930 flat angles C4'-P-C4' energy: -13.334 flat angles P-C4'-P energy: -8.527 tors. eta vs tors. theta energy: -11.089 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: 1 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -179.887299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.887299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.887299 (E_RNA) where: Base-Base interactions energy: -127.186 where: short stacking energy: -48.756 Base-Backbone interact. energy: -0.082 local terms energy: -52.618995 where: bonds (distance) C4'-P energy: -10.923 bonds (distance) P-C4' energy: -13.128 flat angles C4'-P-C4' energy: -11.165 flat angles P-C4'-P energy: -7.022 tors. eta vs tors. theta energy: -10.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -172.399002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.399002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.399002 (E_RNA) where: Base-Base interactions energy: -116.944 where: short stacking energy: -54.551 Base-Backbone interact. energy: -0.001 local terms energy: -55.454470 where: bonds (distance) C4'-P energy: -11.454 bonds (distance) P-C4' energy: -12.306 flat angles C4'-P-C4' energy: -10.163 flat angles P-C4'-P energy: -8.786 tors. eta vs tors. theta energy: -12.746 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: 3 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -66.270063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.270063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.270063 (E_RNA) where: Base-Base interactions energy: -27.828 where: short stacking energy: -27.828 Base-Backbone interact. energy: -0.126 local terms energy: -38.315606 where: bonds (distance) C4'-P energy: -7.550 bonds (distance) P-C4' energy: -11.655 flat angles C4'-P-C4' energy: -9.544 flat angles P-C4'-P energy: -6.002 tors. eta vs tors. theta energy: -3.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -65.313199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.313199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.313199 (E_RNA) where: Base-Base interactions energy: -18.270 where: short stacking energy: -18.270 Base-Backbone interact. energy: -0.136 local terms energy: -46.906877 where: bonds (distance) C4'-P energy: -10.171 bonds (distance) P-C4' energy: -11.129 flat angles C4'-P-C4' energy: -13.000 flat angles P-C4'-P energy: -8.332 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: 1, replica: 6 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -207.997544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.997544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.997544 (E_RNA) where: Base-Base interactions energy: -141.185 where: short stacking energy: -57.617 Base-Backbone interact. energy: -0.008 local terms energy: -66.804489 where: bonds (distance) C4'-P energy: -13.872 bonds (distance) P-C4' energy: -13.589 flat angles C4'-P-C4' energy: -12.634 flat angles P-C4'-P energy: -9.393 tors. eta vs tors. theta energy: -17.317 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: 2 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -200.607783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.607783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.607783 (E_RNA) where: Base-Base interactions energy: -139.508 where: short stacking energy: -57.340 Base-Backbone interact. energy: -0.003 local terms energy: -61.096578 where: bonds (distance) C4'-P energy: -9.658 bonds (distance) P-C4' energy: -11.705 flat angles C4'-P-C4' energy: -12.796 flat angles P-C4'-P energy: -8.757 tors. eta vs tors. theta energy: -18.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -188.058147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.058147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.058147 (E_RNA) where: Base-Base interactions energy: -133.776 where: short stacking energy: -54.073 Base-Backbone interact. energy: -0.007 local terms energy: -54.275553 where: bonds (distance) C4'-P energy: -12.630 bonds (distance) P-C4' energy: -14.442 flat angles C4'-P-C4' energy: -7.296 flat angles P-C4'-P energy: -5.572 tors. eta vs tors. theta energy: -14.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -171.292350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.292350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.292350 (E_RNA) where: Base-Base interactions energy: -117.835 where: short stacking energy: -52.984 Base-Backbone interact. energy: 0.139 local terms energy: -53.596318 where: bonds (distance) C4'-P energy: -11.641 bonds (distance) P-C4' energy: -14.864 flat angles C4'-P-C4' energy: -10.800 flat angles P-C4'-P energy: -5.749 tors. eta vs tors. theta energy: -10.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -193.723425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.723425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.723425 (E_RNA) where: Base-Base interactions energy: -131.027 where: short stacking energy: -52.410 Base-Backbone interact. energy: -0.070 local terms energy: -62.625941 where: bonds (distance) C4'-P energy: -12.217 bonds (distance) P-C4' energy: -14.224 flat angles C4'-P-C4' energy: -11.334 flat angles P-C4'-P energy: -9.147 tors. eta vs tors. theta energy: -15.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -190.563817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.563817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.563817 (E_RNA) where: Base-Base interactions energy: -129.159 where: short stacking energy: -52.672 Base-Backbone interact. energy: -0.013 local terms energy: -61.392279 where: bonds (distance) C4'-P energy: -12.617 bonds (distance) P-C4' energy: -14.613 flat angles C4'-P-C4' energy: -11.286 flat angles P-C4'-P energy: -10.303 tors. eta vs tors. theta energy: -12.573 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: 7, replica: 5 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -188.097021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.097021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.097021 (E_RNA) where: Base-Base interactions energy: -131.571 where: short stacking energy: -59.102 Base-Backbone interact. energy: -0.000 local terms energy: -56.525504 where: bonds (distance) C4'-P energy: -10.443 bonds (distance) P-C4' energy: -12.066 flat angles C4'-P-C4' energy: -13.167 flat angles P-C4'-P energy: -5.644 tors. eta vs tors. theta energy: -15.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -163.587047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.587047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.587047 (E_RNA) where: Base-Base interactions energy: -121.203 where: short stacking energy: -47.489 Base-Backbone interact. energy: -0.024 local terms energy: -42.360223 where: bonds (distance) C4'-P energy: -6.213 bonds (distance) P-C4' energy: -11.672 flat angles C4'-P-C4' energy: -6.244 flat angles P-C4'-P energy: -7.649 tors. eta vs tors. theta energy: -10.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -67.479492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.479492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.479492 (E_RNA) where: Base-Base interactions energy: -29.146 where: short stacking energy: -29.146 Base-Backbone interact. energy: -0.105 local terms energy: -38.228296 where: bonds (distance) C4'-P energy: -11.570 bonds (distance) P-C4' energy: -12.571 flat angles C4'-P-C4' energy: -9.764 flat angles P-C4'-P energy: -2.098 tors. eta vs tors. theta energy: -2.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -65.941740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.941740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.941740 (E_RNA) where: Base-Base interactions energy: -21.800 where: short stacking energy: -21.350 Base-Backbone interact. energy: -0.244 local terms energy: -43.897658 where: bonds (distance) C4'-P energy: -8.603 bonds (distance) P-C4' energy: -14.428 flat angles C4'-P-C4' energy: -13.805 flat angles P-C4'-P energy: -6.329 tors. eta vs tors. theta energy: -0.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -202.875597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.875597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.875597 (E_RNA) where: Base-Base interactions energy: -141.423 where: short stacking energy: -61.315 Base-Backbone interact. energy: -0.122 local terms energy: -61.329814 where: bonds (distance) C4'-P energy: -10.320 bonds (distance) P-C4' energy: -13.128 flat angles C4'-P-C4' energy: -13.655 flat angles P-C4'-P energy: -7.360 tors. eta vs tors. theta energy: -16.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -198.334657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.334657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.334657 (E_RNA) where: Base-Base interactions energy: -139.834 where: short stacking energy: -57.487 Base-Backbone interact. energy: -0.004 local terms energy: -58.496858 where: bonds (distance) C4'-P energy: -12.250 bonds (distance) P-C4' energy: -11.849 flat angles C4'-P-C4' energy: -11.009 flat angles P-C4'-P energy: -6.966 tors. eta vs tors. theta energy: -16.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -190.371734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.371734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.371734 (E_RNA) where: Base-Base interactions energy: -139.209 where: short stacking energy: -54.398 Base-Backbone interact. energy: -0.011 local terms energy: -51.151801 where: bonds (distance) C4'-P energy: -10.584 bonds (distance) P-C4' energy: -8.199 flat angles C4'-P-C4' energy: -9.278 flat angles P-C4'-P energy: -8.845 tors. eta vs tors. theta energy: -14.246 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: 7 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -178.642721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.642721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.642721 (E_RNA) where: Base-Base interactions energy: -120.661 where: short stacking energy: -52.607 Base-Backbone interact. energy: -0.003 local terms energy: -57.978367 where: bonds (distance) C4'-P energy: -10.614 bonds (distance) P-C4' energy: -9.725 flat angles C4'-P-C4' energy: -12.517 flat angles P-C4'-P energy: -10.404 tors. eta vs tors. theta energy: -14.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -187.134928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.134928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.134928 (E_RNA) where: Base-Base interactions energy: -132.649 where: short stacking energy: -54.328 Base-Backbone interact. energy: -0.020 local terms energy: -54.466137 where: bonds (distance) C4'-P energy: -11.677 bonds (distance) P-C4' energy: -11.136 flat angles C4'-P-C4' energy: -10.090 flat angles P-C4'-P energy: -6.963 tors. eta vs tors. theta energy: -14.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -181.845577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.845577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.845577 (E_RNA) where: Base-Base interactions energy: -122.660 where: short stacking energy: -56.425 Base-Backbone interact. energy: -0.022 local terms energy: -59.164303 where: bonds (distance) C4'-P energy: -12.688 bonds (distance) P-C4' energy: -13.712 flat angles C4'-P-C4' energy: -12.645 flat angles P-C4'-P energy: -6.388 tors. eta vs tors. theta energy: -13.731 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: 9 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -167.486582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.486582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.486582 (E_RNA) where: Base-Base interactions energy: -116.899 where: short stacking energy: -45.909 Base-Backbone interact. energy: -0.164 local terms energy: -50.423502 where: bonds (distance) C4'-P energy: -12.671 bonds (distance) P-C4' energy: -9.668 flat angles C4'-P-C4' energy: -8.070 flat angles P-C4'-P energy: -9.913 tors. eta vs tors. theta energy: -10.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -165.116357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.116357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.116357 (E_RNA) where: Base-Base interactions energy: -112.208 where: short stacking energy: -51.408 Base-Backbone interact. energy: -0.020 local terms energy: -52.888784 where: bonds (distance) C4'-P energy: -12.642 bonds (distance) P-C4' energy: -8.862 flat angles C4'-P-C4' energy: -9.895 flat angles P-C4'-P energy: -8.716 tors. eta vs tors. theta energy: -12.775 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: 3 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -71.173193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.173193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.173193 (E_RNA) where: Base-Base interactions energy: -24.109 where: short stacking energy: -24.109 Base-Backbone interact. energy: -0.086 local terms energy: -46.978702 where: bonds (distance) C4'-P energy: -12.540 bonds (distance) P-C4' energy: -14.255 flat angles C4'-P-C4' energy: -9.769 flat angles P-C4'-P energy: -5.030 tors. eta vs tors. theta energy: -5.385 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: 8 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -65.922315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.922315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.922315 (E_RNA) where: Base-Base interactions energy: -21.054 where: short stacking energy: -21.054 Base-Backbone interact. energy: -0.116 local terms energy: -44.752341 where: bonds (distance) C4'-P energy: -12.174 bonds (distance) P-C4' energy: -13.386 flat angles C4'-P-C4' energy: -13.264 flat angles P-C4'-P energy: -6.548 tors. eta vs tors. theta energy: 0.620 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: 2 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -201.815406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.815406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.815406 (E_RNA) where: Base-Base interactions energy: -137.384 where: short stacking energy: -56.682 Base-Backbone interact. energy: -0.100 local terms energy: -64.331544 where: bonds (distance) C4'-P energy: -10.650 bonds (distance) P-C4' energy: -13.864 flat angles C4'-P-C4' energy: -13.385 flat angles P-C4'-P energy: -9.536 tors. eta vs tors. theta energy: -16.896 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: 6 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -204.998608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.998608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.998608 (E_RNA) where: Base-Base interactions energy: -139.452 where: short stacking energy: -54.569 Base-Backbone interact. energy: -0.001 local terms energy: -65.545093 where: bonds (distance) C4'-P energy: -12.248 bonds (distance) P-C4' energy: -13.024 flat angles C4'-P-C4' energy: -12.550 flat angles P-C4'-P energy: -8.516 tors. eta vs tors. theta energy: -19.207 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: 10 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -191.773385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.773385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.773385 (E_RNA) where: Base-Base interactions energy: -131.879 where: short stacking energy: -55.006 Base-Backbone interact. energy: -0.394 local terms energy: -59.500571 where: bonds (distance) C4'-P energy: -12.365 bonds (distance) P-C4' energy: -13.110 flat angles C4'-P-C4' energy: -12.541 flat angles P-C4'-P energy: -4.633 tors. eta vs tors. theta energy: -16.851 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: 4, replica: 4 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -190.524107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.524107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.524107 (E_RNA) where: Base-Base interactions energy: -128.266 where: short stacking energy: -60.317 Base-Backbone interact. energy: -0.203 local terms energy: -62.055374 where: bonds (distance) C4'-P energy: -8.254 bonds (distance) P-C4' energy: -11.522 flat angles C4'-P-C4' energy: -14.904 flat angles P-C4'-P energy: -8.337 tors. eta vs tors. theta energy: -19.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -180.967459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.967459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.967459 (E_RNA) where: Base-Base interactions energy: -127.800 where: short stacking energy: -53.201 Base-Backbone interact. energy: -0.624 local terms energy: -52.543556 where: bonds (distance) C4'-P energy: -9.980 bonds (distance) P-C4' energy: -12.525 flat angles C4'-P-C4' energy: -10.320 flat angles P-C4'-P energy: -8.569 tors. eta vs tors. theta energy: -11.150 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: 9 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -189.835982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.835982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.835982 (E_RNA) where: Base-Base interactions energy: -133.603 where: short stacking energy: -54.913 Base-Backbone interact. energy: -0.025 local terms energy: -56.207619 where: bonds (distance) C4'-P energy: -12.796 bonds (distance) P-C4' energy: -8.107 flat angles C4'-P-C4' energy: -8.570 flat angles P-C4'-P energy: -10.880 tors. eta vs tors. theta energy: -15.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -178.649340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.649340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.649340 (E_RNA) where: Base-Base interactions energy: -122.186 where: short stacking energy: -50.751 Base-Backbone interact. energy: -0.097 local terms energy: -56.366833 where: bonds (distance) C4'-P energy: -10.725 bonds (distance) P-C4' energy: -8.412 flat angles C4'-P-C4' energy: -11.518 flat angles P-C4'-P energy: -12.338 tors. eta vs tors. theta energy: -13.374 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: 8, replica: 5 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -166.759509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.759509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.759509 (E_RNA) where: Base-Base interactions energy: -118.328 where: short stacking energy: -47.015 Base-Backbone interact. energy: -0.039 local terms energy: -48.392798 where: bonds (distance) C4'-P energy: -10.288 bonds (distance) P-C4' energy: -9.299 flat angles C4'-P-C4' energy: -9.630 flat angles P-C4'-P energy: -6.723 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: 9, replica: 3 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -76.361235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.361235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.361235 (E_RNA) where: Base-Base interactions energy: -40.507 where: short stacking energy: -23.071 Base-Backbone interact. energy: 0.441 local terms energy: -36.295677 where: bonds (distance) C4'-P energy: -10.626 bonds (distance) P-C4' energy: -10.972 flat angles C4'-P-C4' energy: -8.099 flat angles P-C4'-P energy: -4.954 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: 8 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -72.575910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.575910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.575910 (E_RNA) where: Base-Base interactions energy: -28.233 where: short stacking energy: -28.233 Base-Backbone interact. energy: -0.040 local terms energy: -44.303536 where: bonds (distance) C4'-P energy: -9.438 bonds (distance) P-C4' energy: -9.760 flat angles C4'-P-C4' energy: -9.768 flat angles P-C4'-P energy: -9.400 tors. eta vs tors. theta energy: -5.937 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: 6 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -206.464349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.464349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.464349 (E_RNA) where: Base-Base interactions energy: -140.838 where: short stacking energy: -63.648 Base-Backbone interact. energy: -0.158 local terms energy: -65.468185 where: bonds (distance) C4'-P energy: -11.607 bonds (distance) P-C4' energy: -12.334 flat angles C4'-P-C4' energy: -14.748 flat angles P-C4'-P energy: -10.541 tors. eta vs tors. theta energy: -16.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -200.394873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.394873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.394873 (E_RNA) where: Base-Base interactions energy: -139.240 where: short stacking energy: -57.599 Base-Backbone interact. energy: -0.099 local terms energy: -61.056251 where: bonds (distance) C4'-P energy: -9.130 bonds (distance) P-C4' energy: -11.601 flat angles C4'-P-C4' energy: -13.934 flat angles P-C4'-P energy: -8.274 tors. eta vs tors. theta energy: -18.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -198.748095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.748095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.748095 (E_RNA) where: Base-Base interactions energy: -140.780 where: short stacking energy: -62.171 Base-Backbone interact. energy: -0.002 local terms energy: -57.966212 where: bonds (distance) C4'-P energy: -11.995 bonds (distance) P-C4' energy: -11.883 flat angles C4'-P-C4' energy: -13.519 flat angles P-C4'-P energy: -6.875 tors. eta vs tors. theta energy: -13.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -185.237172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.237172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.237172 (E_RNA) where: Base-Base interactions energy: -133.990 where: short stacking energy: -47.409 Base-Backbone interact. energy: -0.034 local terms energy: -51.213333 where: bonds (distance) C4'-P energy: -9.995 bonds (distance) P-C4' energy: -11.785 flat angles C4'-P-C4' energy: -10.277 flat angles P-C4'-P energy: -8.550 tors. eta vs tors. theta energy: -10.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -187.610098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.610098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.610098 (E_RNA) where: Base-Base interactions energy: -129.419 where: short stacking energy: -58.438 Base-Backbone interact. energy: -0.003 local terms energy: -58.188610 where: bonds (distance) C4'-P energy: -10.481 bonds (distance) P-C4' energy: -10.930 flat angles C4'-P-C4' energy: -11.972 flat angles P-C4'-P energy: -9.759 tors. eta vs tors. theta energy: -15.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -185.432265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.432265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.432265 (E_RNA) where: Base-Base interactions energy: -127.975 where: short stacking energy: -53.793 Base-Backbone interact. energy: 0.661 local terms energy: -58.117881 where: bonds (distance) C4'-P energy: -11.569 bonds (distance) P-C4' energy: -12.055 flat angles C4'-P-C4' energy: -9.990 flat angles P-C4'-P energy: -9.671 tors. eta vs tors. theta energy: -14.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -175.983925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.983925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.983925 (E_RNA) where: Base-Base interactions energy: -118.706 where: short stacking energy: -44.429 Base-Backbone interact. energy: -0.105 local terms energy: -57.173407 where: bonds (distance) C4'-P energy: -11.468 bonds (distance) P-C4' energy: -10.800 flat angles C4'-P-C4' energy: -12.257 flat angles P-C4'-P energy: -9.594 tors. eta vs tors. theta energy: -13.055 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: 416 Temperature: 1.250000 Total energy: -162.957824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.957824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.957824 (E_RNA) where: Base-Base interactions energy: -112.221 where: short stacking energy: -43.051 Base-Backbone interact. energy: -0.047 local terms energy: -50.690429 where: bonds (distance) C4'-P energy: -11.669 bonds (distance) P-C4' energy: -10.980 flat angles C4'-P-C4' energy: -9.523 flat angles P-C4'-P energy: -5.719 tors. eta vs tors. theta energy: -12.800 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: 9, replica: 8 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -69.870012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.870012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.870012 (E_RNA) where: Base-Base interactions energy: -23.941 where: short stacking energy: -23.941 Base-Backbone interact. energy: -0.142 local terms energy: -45.786216 where: bonds (distance) C4'-P energy: -9.066 bonds (distance) P-C4' energy: -12.824 flat angles C4'-P-C4' energy: -8.601 flat angles P-C4'-P energy: -9.317 tors. eta vs tors. theta energy: -5.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -62.929511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.929511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.929511 (E_RNA) where: Base-Base interactions energy: -22.582 where: short stacking energy: -15.724 Base-Backbone interact. energy: 0.263 local terms energy: -40.610746 where: bonds (distance) C4'-P energy: -8.753 bonds (distance) P-C4' energy: -11.744 flat angles C4'-P-C4' energy: -10.708 flat angles P-C4'-P energy: -8.431 tors. eta vs tors. theta energy: -0.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -204.584133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.584133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.584133 (E_RNA) where: Base-Base interactions energy: -137.362 where: short stacking energy: -58.432 Base-Backbone interact. energy: -0.001 local terms energy: -67.220392 where: bonds (distance) C4'-P energy: -12.659 bonds (distance) P-C4' energy: -15.082 flat angles C4'-P-C4' energy: -12.462 flat angles P-C4'-P energy: -10.874 tors. eta vs tors. theta energy: -16.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -196.585686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.585686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.585686 (E_RNA) where: Base-Base interactions energy: -134.561 where: short stacking energy: -59.095 Base-Backbone interact. energy: -0.209 local terms energy: -61.815922 where: bonds (distance) C4'-P energy: -11.373 bonds (distance) P-C4' energy: -12.609 flat angles C4'-P-C4' energy: -12.938 flat angles P-C4'-P energy: -9.581 tors. eta vs tors. theta energy: -15.315 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: 2 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -203.924587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.924587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.924587 (E_RNA) where: Base-Base interactions energy: -139.785 where: short stacking energy: -57.437 Base-Backbone interact. energy: -0.088 local terms energy: -64.051295 where: bonds (distance) C4'-P energy: -13.205 bonds (distance) P-C4' energy: -12.358 flat angles C4'-P-C4' energy: -14.085 flat angles P-C4'-P energy: -7.856 tors. eta vs tors. theta energy: -16.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -189.305192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.305192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.305192 (E_RNA) where: Base-Base interactions energy: -132.773 where: short stacking energy: -54.389 Base-Backbone interact. energy: -0.005 local terms energy: -56.527111 where: bonds (distance) C4'-P energy: -9.959 bonds (distance) P-C4' energy: -10.640 flat angles C4'-P-C4' energy: -13.444 flat angles P-C4'-P energy: -8.364 tors. eta vs tors. theta energy: -14.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -186.025119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.025119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.025119 (E_RNA) where: Base-Base interactions energy: -129.113 where: short stacking energy: -54.596 Base-Backbone interact. energy: -0.002 local terms energy: -56.909926 where: bonds (distance) C4'-P energy: -8.559 bonds (distance) P-C4' energy: -13.458 flat angles C4'-P-C4' energy: -12.816 flat angles P-C4'-P energy: -10.280 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: 6, replica: 7 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -192.489447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.489447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.489447 (E_RNA) where: Base-Base interactions energy: -130.280 where: short stacking energy: -56.947 Base-Backbone interact. energy: -0.348 local terms energy: -61.862093 where: bonds (distance) C4'-P energy: -10.212 bonds (distance) P-C4' energy: -12.833 flat angles C4'-P-C4' energy: -12.737 flat angles P-C4'-P energy: -8.538 tors. eta vs tors. theta energy: -17.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -181.132750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.132750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.132750 (E_RNA) where: Base-Base interactions energy: -127.779 where: short stacking energy: -56.971 Base-Backbone interact. energy: 0.796 local terms energy: -54.149770 where: bonds (distance) C4'-P energy: -13.143 bonds (distance) P-C4' energy: -5.580 flat angles C4'-P-C4' energy: -10.837 flat angles P-C4'-P energy: -6.123 tors. eta vs tors. theta energy: -18.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -72.767322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.767322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.767322 (E_RNA) where: Base-Base interactions energy: -31.999 where: short stacking energy: -31.999 Base-Backbone interact. energy: -0.422 local terms energy: -40.346478 where: bonds (distance) C4'-P energy: -8.610 bonds (distance) P-C4' energy: -8.995 flat angles C4'-P-C4' energy: -12.356 flat angles P-C4'-P energy: -2.710 tors. eta vs tors. theta energy: -7.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -171.969615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.969615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.969615 (E_RNA) where: Base-Base interactions energy: -125.727 where: short stacking energy: -52.666 Base-Backbone interact. energy: -0.031 local terms energy: -46.211414 where: bonds (distance) C4'-P energy: -9.094 bonds (distance) P-C4' energy: -8.815 flat angles C4'-P-C4' energy: -8.340 flat angles P-C4'-P energy: -7.251 tors. eta vs tors. theta energy: -12.711 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: 3 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -61.882305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.882305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.882305 (E_RNA) where: Base-Base interactions energy: -18.770 where: short stacking energy: -15.261 Base-Backbone interact. energy: 2.222 local terms energy: -45.333577 where: bonds (distance) C4'-P energy: -12.608 bonds (distance) P-C4' energy: -11.580 flat angles C4'-P-C4' energy: -10.183 flat angles P-C4'-P energy: -8.129 tors. eta vs tors. theta energy: -2.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -207.156177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.156177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.156177 (E_RNA) where: Base-Base interactions energy: -140.386 where: short stacking energy: -64.059 Base-Backbone interact. energy: -0.875 local terms energy: -65.895225 where: bonds (distance) C4'-P energy: -10.295 bonds (distance) P-C4' energy: -13.846 flat angles C4'-P-C4' energy: -14.103 flat angles P-C4'-P energy: -9.434 tors. eta vs tors. theta energy: -18.217 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: 2, replica: 6 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -197.236777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.236777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.236777 (E_RNA) where: Base-Base interactions energy: -132.401 where: short stacking energy: -53.885 Base-Backbone interact. energy: -0.361 local terms energy: -64.474172 where: bonds (distance) C4'-P energy: -13.189 bonds (distance) P-C4' energy: -12.594 flat angles C4'-P-C4' energy: -13.452 flat angles P-C4'-P energy: -7.269 tors. eta vs tors. theta energy: -17.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -199.369181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.369181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.369181 (E_RNA) where: Base-Base interactions energy: -139.666 where: short stacking energy: -60.483 Base-Backbone interact. energy: -0.002 local terms energy: -59.700781 where: bonds (distance) C4'-P energy: -11.317 bonds (distance) P-C4' energy: -8.297 flat angles C4'-P-C4' energy: -13.436 flat angles P-C4'-P energy: -9.261 tors. eta vs tors. theta energy: -17.390 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: 418 Temperature: 1.050000 Total energy: -195.950723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.950723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.950723 (E_RNA) where: Base-Base interactions energy: -136.407 where: short stacking energy: -56.083 Base-Backbone interact. energy: -0.052 local terms energy: -59.491654 where: bonds (distance) C4'-P energy: -10.646 bonds (distance) P-C4' energy: -11.495 flat angles C4'-P-C4' energy: -14.711 flat angles P-C4'-P energy: -7.158 tors. eta vs tors. theta energy: -15.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -193.892908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.892908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.892908 (E_RNA) where: Base-Base interactions energy: -139.506 where: short stacking energy: -58.622 Base-Backbone interact. energy: -0.001 local terms energy: -54.386217 where: bonds (distance) C4'-P energy: -9.510 bonds (distance) P-C4' energy: -13.959 flat angles C4'-P-C4' energy: -9.559 flat angles P-C4'-P energy: -6.040 tors. eta vs tors. theta energy: -15.318 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: 10 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -185.472301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.472301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.472301 (E_RNA) where: Base-Base interactions energy: -125.006 where: short stacking energy: -50.644 Base-Backbone interact. energy: -0.004 local terms energy: -60.461773 where: bonds (distance) C4'-P energy: -12.596 bonds (distance) P-C4' energy: -12.066 flat angles C4'-P-C4' energy: -13.349 flat angles P-C4'-P energy: -5.320 tors. eta vs tors. theta energy: -17.131 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: 1 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -172.724657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.724657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.724657 (E_RNA) where: Base-Base interactions energy: -120.166 where: short stacking energy: -50.272 Base-Backbone interact. energy: -0.087 local terms energy: -52.471651 where: bonds (distance) C4'-P energy: -9.865 bonds (distance) P-C4' energy: -15.034 flat angles C4'-P-C4' energy: -9.136 flat angles P-C4'-P energy: -7.235 tors. eta vs tors. theta energy: -11.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -69.721206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.721206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.721206 (E_RNA) where: Base-Base interactions energy: -23.175 where: short stacking energy: -21.352 Base-Backbone interact. energy: -0.113 local terms energy: -46.433270 where: bonds (distance) C4'-P energy: -11.181 bonds (distance) P-C4' energy: -9.913 flat angles C4'-P-C4' energy: -12.940 flat angles P-C4'-P energy: -8.855 tors. eta vs tors. theta energy: -3.544 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: 5 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -153.373071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.373071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.373071 (E_RNA) where: Base-Base interactions energy: -104.844 where: short stacking energy: -36.372 Base-Backbone interact. energy: -0.027 local terms energy: -48.502537 where: bonds (distance) C4'-P energy: -11.168 bonds (distance) P-C4' energy: -12.355 flat angles C4'-P-C4' energy: -12.353 flat angles P-C4'-P energy: -4.652 tors. eta vs tors. theta energy: -7.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -68.702095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.702095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.702095 (E_RNA) where: Base-Base interactions energy: -25.261 where: short stacking energy: -19.811 Base-Backbone interact. energy: -0.025 local terms energy: -43.416080 where: bonds (distance) C4'-P energy: -13.487 bonds (distance) P-C4' energy: -10.496 flat angles C4'-P-C4' energy: -9.010 flat angles P-C4'-P energy: -5.612 tors. eta vs tors. theta energy: -4.811 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: 4 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -205.506730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.506730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.506730 (E_RNA) where: Base-Base interactions energy: -142.173 where: short stacking energy: -58.602 Base-Backbone interact. energy: -0.001 local terms energy: -63.332865 where: bonds (distance) C4'-P energy: -9.890 bonds (distance) P-C4' energy: -15.045 flat angles C4'-P-C4' energy: -14.090 flat angles P-C4'-P energy: -7.629 tors. eta vs tors. theta energy: -16.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -200.536765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.536765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.536765 (E_RNA) where: Base-Base interactions energy: -137.719 where: short stacking energy: -55.825 Base-Backbone interact. energy: -0.001 local terms energy: -62.816061 where: bonds (distance) C4'-P energy: -12.626 bonds (distance) P-C4' energy: -11.447 flat angles C4'-P-C4' energy: -13.465 flat angles P-C4'-P energy: -10.836 tors. eta vs tors. theta energy: -14.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -201.952593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.952593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.952593 (E_RNA) where: Base-Base interactions energy: -138.009 where: short stacking energy: -60.136 Base-Backbone interact. energy: -0.001 local terms energy: -63.942163 where: bonds (distance) C4'-P energy: -9.350 bonds (distance) P-C4' energy: -14.389 flat angles C4'-P-C4' energy: -14.453 flat angles P-C4'-P energy: -9.956 tors. eta vs tors. theta energy: -15.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -198.035962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.035962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.035962 (E_RNA) where: Base-Base interactions energy: -134.728 where: short stacking energy: -57.998 Base-Backbone interact. energy: -0.002 local terms energy: -63.305820 where: bonds (distance) C4'-P energy: -12.439 bonds (distance) P-C4' energy: -11.112 flat angles C4'-P-C4' energy: -12.519 flat angles P-C4'-P energy: -10.406 tors. eta vs tors. theta energy: -16.830 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: 419 Temperature: 1.100000 Total energy: -187.602213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.602213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.602213 (E_RNA) where: Base-Base interactions energy: -128.344 where: short stacking energy: -54.019 Base-Backbone interact. energy: -0.002 local terms energy: -59.256856 where: bonds (distance) C4'-P energy: -9.513 bonds (distance) P-C4' energy: -15.376 flat angles C4'-P-C4' energy: -13.057 flat angles P-C4'-P energy: -7.262 tors. eta vs tors. theta energy: -14.049 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: 1 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -166.563879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.563879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.563879 (E_RNA) where: Base-Base interactions energy: -112.718 where: short stacking energy: -39.869 Base-Backbone interact. energy: -0.952 local terms energy: -52.893980 where: bonds (distance) C4'-P energy: -11.231 bonds (distance) P-C4' energy: -8.616 flat angles C4'-P-C4' energy: -13.447 flat angles P-C4'-P energy: -9.638 tors. eta vs tors. theta energy: -9.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -164.487177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.487177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.487177 (E_RNA) where: Base-Base interactions energy: -113.860 where: short stacking energy: -42.252 Base-Backbone interact. energy: -0.022 local terms energy: -50.605189 where: bonds (distance) C4'-P energy: -12.229 bonds (distance) P-C4' energy: -11.411 flat angles C4'-P-C4' energy: -9.202 flat angles P-C4'-P energy: -6.537 tors. eta vs tors. theta energy: -11.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -168.490768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.490768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.490768 (E_RNA) where: Base-Base interactions energy: -121.569 where: short stacking energy: -45.070 Base-Backbone interact. energy: -0.015 local terms energy: -46.907043 where: bonds (distance) C4'-P energy: -8.925 bonds (distance) P-C4' energy: -12.604 flat angles C4'-P-C4' energy: -6.712 flat angles P-C4'-P energy: -6.872 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: 9, replica: 8 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -66.245903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.245903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.245903 (E_RNA) where: Base-Base interactions energy: -32.186 where: short stacking energy: -20.162 Base-Backbone interact. energy: -0.107 local terms energy: -33.952533 where: bonds (distance) C4'-P energy: -12.308 bonds (distance) P-C4' energy: -6.742 flat angles C4'-P-C4' energy: -9.054 flat angles P-C4'-P energy: -5.680 tors. eta vs tors. theta energy: -0.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -70.218092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.218092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.218092 (E_RNA) where: Base-Base interactions energy: -26.542 where: short stacking energy: -21.538 Base-Backbone interact. energy: -0.027 local terms energy: -43.648346 where: bonds (distance) C4'-P energy: -12.109 bonds (distance) P-C4' energy: -12.397 flat angles C4'-P-C4' energy: -10.736 flat angles P-C4'-P energy: -6.455 tors. eta vs tors. theta energy: -1.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -208.305754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.305754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.305754 (E_RNA) where: Base-Base interactions energy: -142.476 where: short stacking energy: -61.688 Base-Backbone interact. energy: -0.004 local terms energy: -65.825854 where: bonds (distance) C4'-P energy: -12.663 bonds (distance) P-C4' energy: -14.352 flat angles C4'-P-C4' energy: -13.715 flat angles P-C4'-P energy: -10.358 tors. eta vs tors. theta energy: -14.737 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: 4 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -196.420279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.420279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.420279 (E_RNA) where: Base-Base interactions energy: -133.402 where: short stacking energy: -58.561 Base-Backbone interact. energy: -0.321 local terms energy: -62.697200 where: bonds (distance) C4'-P energy: -10.825 bonds (distance) P-C4' energy: -13.043 flat angles C4'-P-C4' energy: -13.464 flat angles P-C4'-P energy: -8.164 tors. eta vs tors. theta energy: -17.200 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: 3, replica: 9 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -191.135377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.135377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.135377 (E_RNA) where: Base-Base interactions energy: -131.506 where: short stacking energy: -53.482 Base-Backbone interact. energy: -0.099 local terms energy: -59.530581 where: bonds (distance) C4'-P energy: -10.415 bonds (distance) P-C4' energy: -14.262 flat angles C4'-P-C4' energy: -12.569 flat angles P-C4'-P energy: -6.297 tors. eta vs tors. theta energy: -15.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -193.890955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.890955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.890955 (E_RNA) where: Base-Base interactions energy: -128.567 where: short stacking energy: -55.364 Base-Backbone interact. energy: -0.008 local terms energy: -65.316307 where: bonds (distance) C4'-P energy: -12.548 bonds (distance) P-C4' energy: -12.825 flat angles C4'-P-C4' energy: -15.491 flat angles P-C4'-P energy: -7.600 tors. eta vs tors. theta energy: -16.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -182.593705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.593705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.593705 (E_RNA) where: Base-Base interactions energy: -125.721 where: short stacking energy: -51.715 Base-Backbone interact. energy: -0.005 local terms energy: -56.867707 where: bonds (distance) C4'-P energy: -9.433 bonds (distance) P-C4' energy: -12.976 flat angles C4'-P-C4' energy: -13.859 flat angles P-C4'-P energy: -7.946 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: 6, replica: 7 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -182.218404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.218404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.218404 (E_RNA) where: Base-Base interactions energy: -123.933 where: short stacking energy: -53.567 Base-Backbone interact. energy: -0.001 local terms energy: -58.284926 where: bonds (distance) C4'-P energy: -12.538 bonds (distance) P-C4' energy: -13.976 flat angles C4'-P-C4' energy: -11.860 flat angles P-C4'-P energy: -6.136 tors. eta vs tors. theta energy: -13.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -164.915573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.915573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.915573 (E_RNA) where: Base-Base interactions energy: -115.902 where: short stacking energy: -42.354 Base-Backbone interact. energy: -0.053 local terms energy: -48.960771 where: bonds (distance) C4'-P energy: -12.030 bonds (distance) P-C4' energy: -9.962 flat angles C4'-P-C4' energy: -11.082 flat angles P-C4'-P energy: -6.210 tors. eta vs tors. theta energy: -9.678 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: 10 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -166.988059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.988059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.988059 (E_RNA) where: Base-Base interactions energy: -118.572 where: short stacking energy: -49.607 Base-Backbone interact. energy: -0.003 local terms energy: -48.413062 where: bonds (distance) C4'-P energy: -11.578 bonds (distance) P-C4' energy: -7.565 flat angles C4'-P-C4' energy: -13.322 flat angles P-C4'-P energy: -3.998 tors. eta vs tors. theta energy: -11.950 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: 8 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -68.403632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.403632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.403632 (E_RNA) where: Base-Base interactions energy: -28.904 where: short stacking energy: -13.082 Base-Backbone interact. energy: -0.197 local terms energy: -39.302961 where: bonds (distance) C4'-P energy: -12.233 bonds (distance) P-C4' energy: -9.741 flat angles C4'-P-C4' energy: -10.551 flat angles P-C4'-P energy: -8.415 tors. eta vs tors. theta energy: 1.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -64.151019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.151019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.151019 (E_RNA) where: Base-Base interactions energy: -26.689 where: short stacking energy: -25.973 Base-Backbone interact. energy: -0.142 local terms energy: -37.320114 where: bonds (distance) C4'-P energy: -7.587 bonds (distance) P-C4' energy: -9.205 flat angles C4'-P-C4' energy: -9.515 flat angles P-C4'-P energy: -9.481 tors. eta vs tors. theta energy: -1.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -207.948512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.948512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.948512 (E_RNA) where: Base-Base interactions energy: -140.424 where: short stacking energy: -60.336 Base-Backbone interact. energy: -0.001 local terms energy: -67.523006 where: bonds (distance) C4'-P energy: -13.135 bonds (distance) P-C4' energy: -14.385 flat angles C4'-P-C4' energy: -13.002 flat angles P-C4'-P energy: -11.380 tors. eta vs tors. theta energy: -15.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -194.926089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.926089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.926089 (E_RNA) where: Base-Base interactions energy: -135.653 where: short stacking energy: -48.342 Base-Backbone interact. energy: -0.027 local terms energy: -59.245583 where: bonds (distance) C4'-P energy: -14.654 bonds (distance) P-C4' energy: -13.032 flat angles C4'-P-C4' energy: -12.335 flat angles P-C4'-P energy: -8.895 tors. eta vs tors. theta energy: -10.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -182.370169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.370169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.370169 (E_RNA) where: Base-Base interactions energy: -125.622 where: short stacking energy: -52.276 Base-Backbone interact. energy: -0.001 local terms energy: -56.747191 where: bonds (distance) C4'-P energy: -11.296 bonds (distance) P-C4' energy: -13.700 flat angles C4'-P-C4' energy: -11.687 flat angles P-C4'-P energy: -9.898 tors. eta vs tors. theta energy: -10.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -191.784625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.784625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.784625 (E_RNA) where: Base-Base interactions energy: -128.885 where: short stacking energy: -60.181 Base-Backbone interact. energy: -0.052 local terms energy: -62.847546 where: bonds (distance) C4'-P energy: -13.024 bonds (distance) P-C4' energy: -14.106 flat angles C4'-P-C4' energy: -12.716 flat angles P-C4'-P energy: -5.644 tors. eta vs tors. theta energy: -17.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -187.325835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.325835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.325835 (E_RNA) where: Base-Base interactions energy: -124.163 where: short stacking energy: -49.316 Base-Backbone interact. energy: -0.001 local terms energy: -63.161817 where: bonds (distance) C4'-P energy: -11.615 bonds (distance) P-C4' energy: -14.600 flat angles C4'-P-C4' energy: -13.803 flat angles P-C4'-P energy: -7.655 tors. eta vs tors. theta energy: -15.490 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: 5 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -188.830587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.830587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.830587 (E_RNA) where: Base-Base interactions energy: -125.451 where: short stacking energy: -57.611 Base-Backbone interact. energy: -0.033 local terms energy: -63.346388 where: bonds (distance) C4'-P energy: -12.418 bonds (distance) P-C4' energy: -11.148 flat angles C4'-P-C4' energy: -12.768 flat angles P-C4'-P energy: -9.176 tors. eta vs tors. theta energy: -17.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -188.200521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.200521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.200521 (E_RNA) where: Base-Base interactions energy: -132.494 where: short stacking energy: -57.211 Base-Backbone interact. energy: -0.002 local terms energy: -55.704368 where: bonds (distance) C4'-P energy: -8.080 bonds (distance) P-C4' energy: -10.583 flat angles C4'-P-C4' energy: -12.994 flat angles P-C4'-P energy: -8.298 tors. eta vs tors. theta energy: -15.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -170.435974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.435974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.435974 (E_RNA) where: Base-Base interactions energy: -116.254 where: short stacking energy: -47.428 Base-Backbone interact. energy: -0.045 local terms energy: -54.137568 where: bonds (distance) C4'-P energy: -9.698 bonds (distance) P-C4' energy: -10.165 flat angles C4'-P-C4' energy: -11.609 flat angles P-C4'-P energy: -7.618 tors. eta vs tors. theta energy: -15.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -70.055837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.055837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.055837 (E_RNA) where: Base-Base interactions energy: -31.593 where: short stacking energy: -23.741 Base-Backbone interact. energy: -0.006 local terms energy: -38.457263 where: bonds (distance) C4'-P energy: -11.818 bonds (distance) P-C4' energy: -12.333 flat angles C4'-P-C4' energy: -10.320 flat angles P-C4'-P energy: -4.845 tors. eta vs tors. theta energy: 0.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -63.770397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.770397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.770397 (E_RNA) where: Base-Base interactions energy: -26.852 where: short stacking energy: -26.852 Base-Backbone interact. energy: 0.519 local terms energy: -37.437518 where: bonds (distance) C4'-P energy: -9.281 bonds (distance) P-C4' energy: -7.228 flat angles C4'-P-C4' energy: -8.351 flat angles P-C4'-P energy: -8.737 tors. eta vs tors. theta energy: -3.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -206.762987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.762987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.762987 (E_RNA) where: Base-Base interactions energy: -143.271 where: short stacking energy: -61.616 Base-Backbone interact. energy: -0.001 local terms energy: -63.491443 where: bonds (distance) C4'-P energy: -13.251 bonds (distance) P-C4' energy: -11.721 flat angles C4'-P-C4' energy: -12.741 flat angles P-C4'-P energy: -7.370 tors. eta vs tors. theta energy: -18.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -195.728930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.728930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.728930 (E_RNA) where: Base-Base interactions energy: -137.768 where: short stacking energy: -60.634 Base-Backbone interact. energy: -0.240 local terms energy: -57.720937 where: bonds (distance) C4'-P energy: -10.121 bonds (distance) P-C4' energy: -13.959 flat angles C4'-P-C4' energy: -10.405 flat angles P-C4'-P energy: -8.319 tors. eta vs tors. theta energy: -14.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -188.911844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.911844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.911844 (E_RNA) where: Base-Base interactions energy: -130.934 where: short stacking energy: -54.136 Base-Backbone interact. energy: -0.012 local terms energy: -57.965654 where: bonds (distance) C4'-P energy: -10.945 bonds (distance) P-C4' energy: -12.881 flat angles C4'-P-C4' energy: -14.821 flat angles P-C4'-P energy: -4.015 tors. eta vs tors. theta energy: -15.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -197.271275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.271275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.271275 (E_RNA) where: Base-Base interactions energy: -135.608 where: short stacking energy: -59.947 Base-Backbone interact. energy: -0.004 local terms energy: -61.659393 where: bonds (distance) C4'-P energy: -10.601 bonds (distance) P-C4' energy: -11.681 flat angles C4'-P-C4' energy: -13.446 flat angles P-C4'-P energy: -8.547 tors. eta vs tors. theta energy: -17.384 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: 5 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -183.247955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.247955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.247955 (E_RNA) where: Base-Base interactions energy: -131.699 where: short stacking energy: -56.634 Base-Backbone interact. energy: -0.205 local terms energy: -51.344017 where: bonds (distance) C4'-P energy: -7.306 bonds (distance) P-C4' energy: -10.153 flat angles C4'-P-C4' energy: -12.331 flat angles P-C4'-P energy: -7.943 tors. eta vs tors. theta energy: -13.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -185.323257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.323257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.323257 (E_RNA) where: Base-Base interactions energy: -126.076 where: short stacking energy: -55.915 Base-Backbone interact. energy: -0.040 local terms energy: -59.207405 where: bonds (distance) C4'-P energy: -9.926 bonds (distance) P-C4' energy: -11.434 flat angles C4'-P-C4' energy: -10.532 flat angles P-C4'-P energy: -11.369 tors. eta vs tors. theta energy: -15.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -160.279791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.279791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.279791 (E_RNA) where: Base-Base interactions energy: -114.580 where: short stacking energy: -36.993 Base-Backbone interact. energy: -0.435 local terms energy: -45.263953 where: bonds (distance) C4'-P energy: -11.745 bonds (distance) P-C4' energy: -5.876 flat angles C4'-P-C4' energy: -11.849 flat angles P-C4'-P energy: -7.091 tors. eta vs tors. theta energy: -8.704 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: 7 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -169.324617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.324617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.324617 (E_RNA) where: Base-Base interactions energy: -113.914 where: short stacking energy: -48.817 Base-Backbone interact. energy: -0.006 local terms energy: -55.405377 where: bonds (distance) C4'-P energy: -12.207 bonds (distance) P-C4' energy: -13.870 flat angles C4'-P-C4' energy: -11.348 flat angles P-C4'-P energy: -5.751 tors. eta vs tors. theta energy: -12.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -70.405251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.405251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.405251 (E_RNA) where: Base-Base interactions energy: -27.470 where: short stacking energy: -27.470 Base-Backbone interact. energy: -0.008 local terms energy: -42.927878 where: bonds (distance) C4'-P energy: -7.256 bonds (distance) P-C4' energy: -12.401 flat angles C4'-P-C4' energy: -10.696 flat angles P-C4'-P energy: -3.050 tors. eta vs tors. theta energy: -9.524 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: 8 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -70.764146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.764146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.764146 (E_RNA) where: Base-Base interactions energy: -33.353 where: short stacking energy: -28.227 Base-Backbone interact. energy: -0.276 local terms energy: -37.135947 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -11.665 flat angles C4'-P-C4' energy: -10.807 flat angles P-C4'-P energy: -2.430 tors. eta vs tors. theta energy: -4.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -204.371212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.371212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.371212 (E_RNA) where: Base-Base interactions energy: -148.727 where: short stacking energy: -62.614 Base-Backbone interact. energy: -0.000 local terms energy: -55.644195 where: bonds (distance) C4'-P energy: -11.351 bonds (distance) P-C4' energy: -12.424 flat angles C4'-P-C4' energy: -13.039 flat angles P-C4'-P energy: -0.623 tors. eta vs tors. theta energy: -18.207 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: 2, replica: 1 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -198.953456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.953456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.953456 (E_RNA) where: Base-Base interactions energy: -142.271 where: short stacking energy: -57.195 Base-Backbone interact. energy: -0.016 local terms energy: -56.665992 where: bonds (distance) C4'-P energy: -7.429 bonds (distance) P-C4' energy: -10.862 flat angles C4'-P-C4' energy: -14.949 flat angles P-C4'-P energy: -8.583 tors. eta vs tors. theta energy: -14.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -199.375856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.375856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.375856 (E_RNA) where: Base-Base interactions energy: -137.809 where: short stacking energy: -57.316 Base-Backbone interact. energy: -0.100 local terms energy: -61.466535 where: bonds (distance) C4'-P energy: -10.937 bonds (distance) P-C4' energy: -11.922 flat angles C4'-P-C4' energy: -14.081 flat angles P-C4'-P energy: -8.958 tors. eta vs tors. theta energy: -15.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -191.949992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.949992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.949992 (E_RNA) where: Base-Base interactions energy: -133.160 where: short stacking energy: -58.336 Base-Backbone interact. energy: 1.537 local terms energy: -60.327161 where: bonds (distance) C4'-P energy: -10.502 bonds (distance) P-C4' energy: -11.515 flat angles C4'-P-C4' energy: -13.142 flat angles P-C4'-P energy: -9.524 tors. eta vs tors. theta energy: -15.643 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: 5, replica: 4 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -183.757121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.757121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.757121 (E_RNA) where: Base-Base interactions energy: -131.838 where: short stacking energy: -52.547 Base-Backbone interact. energy: -0.120 local terms energy: -51.799594 where: bonds (distance) C4'-P energy: -11.000 bonds (distance) P-C4' energy: -7.043 flat angles C4'-P-C4' energy: -12.815 flat angles P-C4'-P energy: -9.361 tors. eta vs tors. theta energy: -11.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -170.361306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.361306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.361306 (E_RNA) where: Base-Base interactions energy: -116.318 where: short stacking energy: -44.871 Base-Backbone interact. energy: -0.196 local terms energy: -53.847310 where: bonds (distance) C4'-P energy: -7.595 bonds (distance) P-C4' energy: -14.199 flat angles C4'-P-C4' energy: -13.875 flat angles P-C4'-P energy: -9.649 tors. eta vs tors. theta energy: -8.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -177.719980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.719980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.719980 (E_RNA) where: Base-Base interactions energy: -122.374 where: short stacking energy: -48.109 Base-Backbone interact. energy: -0.001 local terms energy: -55.344742 where: bonds (distance) C4'-P energy: -12.427 bonds (distance) P-C4' energy: -9.521 flat angles C4'-P-C4' energy: -13.823 flat angles P-C4'-P energy: -4.263 tors. eta vs tors. theta energy: -15.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -173.107534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.107534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.107534 (E_RNA) where: Base-Base interactions energy: -123.554 where: short stacking energy: -51.169 Base-Backbone interact. energy: -0.083 local terms energy: -49.470593 where: bonds (distance) C4'-P energy: -9.334 bonds (distance) P-C4' energy: -11.225 flat angles C4'-P-C4' energy: -5.543 flat angles P-C4'-P energy: -8.732 tors. eta vs tors. theta energy: -14.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -68.410540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.410540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.410540 (E_RNA) where: Base-Base interactions energy: -26.865 where: short stacking energy: -24.658 Base-Backbone interact. energy: -0.090 local terms energy: -41.455516 where: bonds (distance) C4'-P energy: -12.341 bonds (distance) P-C4' energy: -9.164 flat angles C4'-P-C4' energy: -9.064 flat angles P-C4'-P energy: -8.097 tors. eta vs tors. theta energy: -2.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -62.340029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.340029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.340029 (E_RNA) where: Base-Base interactions energy: -26.092 where: short stacking energy: -26.092 Base-Backbone interact. energy: -0.024 local terms energy: -36.223232 where: bonds (distance) C4'-P energy: -7.794 bonds (distance) P-C4' energy: -9.393 flat angles C4'-P-C4' energy: -9.334 flat angles P-C4'-P energy: -4.510 tors. eta vs tors. theta energy: -5.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -201.837716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.837716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.837716 (E_RNA) where: Base-Base interactions energy: -138.454 where: short stacking energy: -60.993 Base-Backbone interact. energy: -0.002 local terms energy: -63.382023 where: bonds (distance) C4'-P energy: -10.738 bonds (distance) P-C4' energy: -13.872 flat angles C4'-P-C4' energy: -12.118 flat angles P-C4'-P energy: -8.614 tors. eta vs tors. theta energy: -18.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -200.769077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.769077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.769077 (E_RNA) where: Base-Base interactions energy: -136.705 where: short stacking energy: -59.165 Base-Backbone interact. energy: -0.004 local terms energy: -64.060265 where: bonds (distance) C4'-P energy: -14.625 bonds (distance) P-C4' energy: -12.331 flat angles C4'-P-C4' energy: -11.821 flat angles P-C4'-P energy: -8.574 tors. eta vs tors. theta energy: -16.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -204.733933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.733933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.733933 (E_RNA) where: Base-Base interactions energy: -139.101 where: short stacking energy: -56.826 Base-Backbone interact. energy: -0.002 local terms energy: -65.631116 where: bonds (distance) C4'-P energy: -12.067 bonds (distance) P-C4' energy: -13.145 flat angles C4'-P-C4' energy: -13.917 flat angles P-C4'-P energy: -9.713 tors. eta vs tors. theta energy: -16.789 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: 9 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -196.036957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.036957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.036957 (E_RNA) where: Base-Base interactions energy: -134.314 where: short stacking energy: -60.034 Base-Backbone interact. energy: 0.121 local terms energy: -61.844381 where: bonds (distance) C4'-P energy: -8.986 bonds (distance) P-C4' energy: -11.285 flat angles C4'-P-C4' energy: -14.309 flat angles P-C4'-P energy: -10.303 tors. eta vs tors. theta energy: -16.961 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: 4 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -198.257778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.257778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.257778 (E_RNA) where: Base-Base interactions energy: -138.731 where: short stacking energy: -57.927 Base-Backbone interact. energy: 0.562 local terms energy: -60.088125 where: bonds (distance) C4'-P energy: -13.583 bonds (distance) P-C4' energy: -6.400 flat angles C4'-P-C4' energy: -12.677 flat angles P-C4'-P energy: -10.810 tors. eta vs tors. theta energy: -16.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -170.091604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.091604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.091604 (E_RNA) where: Base-Base interactions energy: -114.282 where: short stacking energy: -54.537 Base-Backbone interact. energy: -0.292 local terms energy: -55.517475 where: bonds (distance) C4'-P energy: -13.202 bonds (distance) P-C4' energy: -9.098 flat angles C4'-P-C4' energy: -9.513 flat angles P-C4'-P energy: -7.381 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: 7, replica: 6 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -171.157024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.157024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.157024 (E_RNA) where: Base-Base interactions energy: -115.298 where: short stacking energy: -50.588 Base-Backbone interact. energy: -0.137 local terms energy: -55.721929 where: bonds (distance) C4'-P energy: -7.564 bonds (distance) P-C4' energy: -13.283 flat angles C4'-P-C4' energy: -14.353 flat angles P-C4'-P energy: -10.886 tors. eta vs tors. theta energy: -9.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -166.563605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.563605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.563605 (E_RNA) where: Base-Base interactions energy: -116.620 where: short stacking energy: -45.393 Base-Backbone interact. energy: -0.116 local terms energy: -49.827647 where: bonds (distance) C4'-P energy: -6.847 bonds (distance) P-C4' energy: -13.973 flat angles C4'-P-C4' energy: -8.078 flat angles P-C4'-P energy: -7.839 tors. eta vs tors. theta energy: -13.091 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: 8 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -70.315011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.315011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.315011 (E_RNA) where: Base-Base interactions energy: -26.730 where: short stacking energy: -26.730 Base-Backbone interact. energy: 0.064 local terms energy: -43.648074 where: bonds (distance) C4'-P energy: -11.944 bonds (distance) P-C4' energy: -11.961 flat angles C4'-P-C4' energy: -11.534 flat angles P-C4'-P energy: -5.964 tors. eta vs tors. theta energy: -2.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -83.828026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.828026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.828026 (E_RNA) where: Base-Base interactions energy: -30.705 where: short stacking energy: -29.380 Base-Backbone interact. energy: -0.078 local terms energy: -53.045824 where: bonds (distance) C4'-P energy: -14.092 bonds (distance) P-C4' energy: -13.289 flat angles C4'-P-C4' energy: -6.035 flat angles P-C4'-P energy: -10.057 tors. eta vs tors. theta energy: -9.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -198.352568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.352568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.352568 (E_RNA) where: Base-Base interactions energy: -133.444 where: short stacking energy: -60.034 Base-Backbone interact. energy: 0.556 local terms energy: -65.464097 where: bonds (distance) C4'-P energy: -13.611 bonds (distance) P-C4' energy: -15.086 flat angles C4'-P-C4' energy: -13.402 flat angles P-C4'-P energy: -8.987 tors. eta vs tors. theta energy: -14.379 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: 425 Temperature: 0.950000 Total energy: -189.807347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.807347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.807347 (E_RNA) where: Base-Base interactions energy: -127.569 where: short stacking energy: -51.273 Base-Backbone interact. energy: -0.616 local terms energy: -61.622668 where: bonds (distance) C4'-P energy: -12.246 bonds (distance) P-C4' energy: -11.952 flat angles C4'-P-C4' energy: -13.441 flat angles P-C4'-P energy: -11.442 tors. eta vs tors. theta energy: -12.542 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: 5 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -195.429587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.429587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.429587 (E_RNA) where: Base-Base interactions energy: -135.146 where: short stacking energy: -58.570 Base-Backbone interact. energy: -0.041 local terms energy: -60.242128 where: bonds (distance) C4'-P energy: -10.521 bonds (distance) P-C4' energy: -13.405 flat angles C4'-P-C4' energy: -14.419 flat angles P-C4'-P energy: -8.600 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: 4, replica: 9 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -196.608804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.608804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.608804 (E_RNA) where: Base-Base interactions energy: -137.124 where: short stacking energy: -56.946 Base-Backbone interact. energy: 0.089 local terms energy: -59.573863 where: bonds (distance) C4'-P energy: -12.155 bonds (distance) P-C4' energy: -8.933 flat angles C4'-P-C4' energy: -12.020 flat angles P-C4'-P energy: -10.311 tors. eta vs tors. theta energy: -16.156 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: 4 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -178.603344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.603344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.603344 (E_RNA) where: Base-Base interactions energy: -126.810 where: short stacking energy: -45.866 Base-Backbone interact. energy: -0.406 local terms energy: -51.386744 where: bonds (distance) C4'-P energy: -10.510 bonds (distance) P-C4' energy: -13.050 flat angles C4'-P-C4' energy: -12.785 flat angles P-C4'-P energy: -3.287 tors. eta vs tors. theta energy: -11.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -180.026918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.026918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.026918 (E_RNA) where: Base-Base interactions energy: -124.837 where: short stacking energy: -56.422 Base-Backbone interact. energy: 0.234 local terms energy: -55.424157 where: bonds (distance) C4'-P energy: -10.622 bonds (distance) P-C4' energy: -10.931 flat angles C4'-P-C4' energy: -7.996 flat angles P-C4'-P energy: -10.083 tors. eta vs tors. theta energy: -15.792 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: 425 Temperature: 1.200000 Total energy: -186.805644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.805644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.805644 (E_RNA) where: Base-Base interactions energy: -128.784 where: short stacking energy: -58.630 Base-Backbone interact. energy: -0.101 local terms energy: -57.920733 where: bonds (distance) C4'-P energy: -13.258 bonds (distance) P-C4' energy: -9.498 flat angles C4'-P-C4' energy: -13.826 flat angles P-C4'-P energy: -7.261 tors. eta vs tors. theta energy: -14.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -172.595295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.595295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.595295 (E_RNA) where: Base-Base interactions energy: -119.230 where: short stacking energy: -51.148 Base-Backbone interact. energy: 3.183 local terms energy: -56.547598 where: bonds (distance) C4'-P energy: -6.631 bonds (distance) P-C4' energy: -12.793 flat angles C4'-P-C4' energy: -13.536 flat angles P-C4'-P energy: -7.806 tors. eta vs tors. theta energy: -15.782 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: 8 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -76.591134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.591134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.591134 (E_RNA) where: Base-Base interactions energy: -29.463 where: short stacking energy: -21.394 Base-Backbone interact. energy: -0.102 local terms energy: -47.026625 where: bonds (distance) C4'-P energy: -10.084 bonds (distance) P-C4' energy: -12.589 flat angles C4'-P-C4' energy: -11.347 flat angles P-C4'-P energy: -6.642 tors. eta vs tors. theta energy: -6.365 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: 3 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -64.218576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.218576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.218576 (E_RNA) where: Base-Base interactions energy: -25.949 where: short stacking energy: -23.809 Base-Backbone interact. energy: -1.241 local terms energy: -37.029139 where: bonds (distance) C4'-P energy: -10.104 bonds (distance) P-C4' energy: -9.349 flat angles C4'-P-C4' energy: -9.086 flat angles P-C4'-P energy: -6.459 tors. eta vs tors. theta energy: -2.031 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: 1 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -204.376814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.376814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.376814 (E_RNA) where: Base-Base interactions energy: -141.482 where: short stacking energy: -60.389 Base-Backbone interact. energy: -0.043 local terms energy: -62.852544 where: bonds (distance) C4'-P energy: -11.012 bonds (distance) P-C4' energy: -13.560 flat angles C4'-P-C4' energy: -15.165 flat angles P-C4'-P energy: -7.284 tors. eta vs tors. theta energy: -15.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -201.828528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.828528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.828528 (E_RNA) where: Base-Base interactions energy: -138.901 where: short stacking energy: -59.441 Base-Backbone interact. energy: -0.005 local terms energy: -62.923073 where: bonds (distance) C4'-P energy: -12.754 bonds (distance) P-C4' energy: -13.557 flat angles C4'-P-C4' energy: -11.463 flat angles P-C4'-P energy: -6.722 tors. eta vs tors. theta energy: -18.428 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: 5 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -197.961935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.961935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.961935 (E_RNA) where: Base-Base interactions energy: -131.617 where: short stacking energy: -55.210 Base-Backbone interact. energy: -0.744 local terms energy: -65.601243 where: bonds (distance) C4'-P energy: -12.943 bonds (distance) P-C4' energy: -14.008 flat angles C4'-P-C4' energy: -13.579 flat angles P-C4'-P energy: -6.709 tors. eta vs tors. theta energy: -18.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -188.559742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.559742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.559742 (E_RNA) where: Base-Base interactions energy: -133.013 where: short stacking energy: -57.912 Base-Backbone interact. energy: -0.000 local terms energy: -55.546828 where: bonds (distance) C4'-P energy: -9.844 bonds (distance) P-C4' energy: -8.463 flat angles C4'-P-C4' energy: -12.359 flat angles P-C4'-P energy: -7.325 tors. eta vs tors. theta energy: -17.556 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: 4 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -186.836266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.836266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.836266 (E_RNA) where: Base-Base interactions energy: -134.959 where: short stacking energy: -47.450 Base-Backbone interact. energy: -0.001 local terms energy: -51.876022 where: bonds (distance) C4'-P energy: -12.150 bonds (distance) P-C4' energy: -10.460 flat angles C4'-P-C4' energy: -10.221 flat angles P-C4'-P energy: -5.050 tors. eta vs tors. theta energy: -13.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -164.672516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.672516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.672516 (E_RNA) where: Base-Base interactions energy: -113.159 where: short stacking energy: -43.498 Base-Backbone interact. energy: -0.053 local terms energy: -51.459775 where: bonds (distance) C4'-P energy: -11.347 bonds (distance) P-C4' energy: -9.533 flat angles C4'-P-C4' energy: -9.809 flat angles P-C4'-P energy: -8.208 tors. eta vs tors. theta energy: -12.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -173.801194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.801194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.801194 (E_RNA) where: Base-Base interactions energy: -116.710 where: short stacking energy: -48.705 Base-Backbone interact. energy: -0.051 local terms energy: -57.040454 where: bonds (distance) C4'-P energy: -14.100 bonds (distance) P-C4' energy: -10.582 flat angles C4'-P-C4' energy: -11.546 flat angles P-C4'-P energy: -8.203 tors. eta vs tors. theta energy: -12.610 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: 8, replica: 6 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -182.228340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.228340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.228340 (E_RNA) where: Base-Base interactions energy: -122.624 where: short stacking energy: -56.627 Base-Backbone interact. energy: -0.025 local terms energy: -59.578763 where: bonds (distance) C4'-P energy: -12.117 bonds (distance) P-C4' energy: -8.558 flat angles C4'-P-C4' energy: -13.145 flat angles P-C4'-P energy: -8.106 tors. eta vs tors. theta energy: -17.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -72.316827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.316827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.316827 (E_RNA) where: Base-Base interactions energy: -26.337 where: short stacking energy: -26.337 Base-Backbone interact. energy: -0.013 local terms energy: -45.966610 where: bonds (distance) C4'-P energy: -14.297 bonds (distance) P-C4' energy: -9.626 flat angles C4'-P-C4' energy: -12.780 flat angles P-C4'-P energy: -6.472 tors. eta vs tors. theta energy: -2.790 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: 3 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -78.076181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.076181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.076181 (E_RNA) where: Base-Base interactions energy: -26.441 where: short stacking energy: -24.115 Base-Backbone interact. energy: -0.159 local terms energy: -51.476114 where: bonds (distance) C4'-P energy: -11.210 bonds (distance) P-C4' energy: -12.052 flat angles C4'-P-C4' energy: -13.032 flat angles P-C4'-P energy: -9.620 tors. eta vs tors. theta energy: -5.562 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: 1 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -203.799877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.799877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.799877 (E_RNA) where: Base-Base interactions energy: -145.384 where: short stacking energy: -60.996 Base-Backbone interact. energy: -0.165 local terms energy: -58.250495 where: bonds (distance) C4'-P energy: -11.401 bonds (distance) P-C4' energy: -12.222 flat angles C4'-P-C4' energy: -14.656 flat angles P-C4'-P energy: -5.367 tors. eta vs tors. theta energy: -14.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -202.774350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.774350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.774350 (E_RNA) where: Base-Base interactions energy: -138.503 where: short stacking energy: -63.730 Base-Backbone interact. energy: -0.006 local terms energy: -64.265130 where: bonds (distance) C4'-P energy: -11.373 bonds (distance) P-C4' energy: -13.132 flat angles C4'-P-C4' energy: -12.366 flat angles P-C4'-P energy: -11.239 tors. eta vs tors. theta energy: -16.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -195.302776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.302776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.302776 (E_RNA) where: Base-Base interactions energy: -133.420 where: short stacking energy: -55.809 Base-Backbone interact. energy: -0.002 local terms energy: -61.880354 where: bonds (distance) C4'-P energy: -11.297 bonds (distance) P-C4' energy: -12.978 flat angles C4'-P-C4' energy: -13.348 flat angles P-C4'-P energy: -8.732 tors. eta vs tors. theta energy: -15.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -197.428775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.428775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.428775 (E_RNA) where: Base-Base interactions energy: -137.054 where: short stacking energy: -50.105 Base-Backbone interact. energy: -0.194 local terms energy: -60.180666 where: bonds (distance) C4'-P energy: -13.594 bonds (distance) P-C4' energy: -9.942 flat angles C4'-P-C4' energy: -14.248 flat angles P-C4'-P energy: -6.924 tors. eta vs tors. theta energy: -15.472 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: 9 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -181.947920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.947920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.947920 (E_RNA) where: Base-Base interactions energy: -122.448 where: short stacking energy: -49.609 Base-Backbone interact. energy: -0.716 local terms energy: -58.784256 where: bonds (distance) C4'-P energy: -11.851 bonds (distance) P-C4' energy: -13.745 flat angles C4'-P-C4' energy: -8.671 flat angles P-C4'-P energy: -10.172 tors. eta vs tors. theta energy: -14.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -185.048066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.048066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.048066 (E_RNA) where: Base-Base interactions energy: -128.178 where: short stacking energy: -52.743 Base-Backbone interact. energy: -0.177 local terms energy: -56.692827 where: bonds (distance) C4'-P energy: -9.673 bonds (distance) P-C4' energy: -8.538 flat angles C4'-P-C4' energy: -15.578 flat angles P-C4'-P energy: -7.578 tors. eta vs tors. theta energy: -15.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -173.326678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.326678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.326678 (E_RNA) where: Base-Base interactions energy: -121.160 where: short stacking energy: -53.765 Base-Backbone interact. energy: -0.036 local terms energy: -52.130670 where: bonds (distance) C4'-P energy: -11.064 bonds (distance) P-C4' energy: -8.941 flat angles C4'-P-C4' energy: -10.929 flat angles P-C4'-P energy: -6.226 tors. eta vs tors. theta energy: -14.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -191.205945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.205945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.205945 (E_RNA) where: Base-Base interactions energy: -135.188 where: short stacking energy: -57.023 Base-Backbone interact. energy: -0.088 local terms energy: -55.929934 where: bonds (distance) C4'-P energy: -13.052 bonds (distance) P-C4' energy: -10.830 flat angles C4'-P-C4' energy: -12.275 flat angles P-C4'-P energy: -4.330 tors. eta vs tors. theta energy: -15.443 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: 8 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -65.265420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.265420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.265420 (E_RNA) where: Base-Base interactions energy: -24.904 where: short stacking energy: -13.234 Base-Backbone interact. energy: -0.211 local terms energy: -40.149563 where: bonds (distance) C4'-P energy: -13.051 bonds (distance) P-C4' energy: -12.810 flat angles C4'-P-C4' energy: -12.662 flat angles P-C4'-P energy: -5.472 tors. eta vs tors. theta energy: 3.846 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: 3 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -54.159236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.159236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.159236 (E_RNA) where: Base-Base interactions energy: -18.505 where: short stacking energy: -16.627 Base-Backbone interact. energy: -0.159 local terms energy: -35.495581 where: bonds (distance) C4'-P energy: -8.283 bonds (distance) P-C4' energy: -10.204 flat angles C4'-P-C4' energy: -11.722 flat angles P-C4'-P energy: -6.469 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: 5 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -201.618694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.618694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.618694 (E_RNA) where: Base-Base interactions energy: -136.196 where: short stacking energy: -56.999 Base-Backbone interact. energy: -0.012 local terms energy: -65.410030 where: bonds (distance) C4'-P energy: -13.281 bonds (distance) P-C4' energy: -11.417 flat angles C4'-P-C4' energy: -12.251 flat angles P-C4'-P energy: -11.714 tors. eta vs tors. theta energy: -16.748 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: 2, replica: 1 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -201.334258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.334258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.334258 (E_RNA) where: Base-Base interactions energy: -143.209 where: short stacking energy: -64.405 Base-Backbone interact. energy: -0.000 local terms energy: -58.125129 where: bonds (distance) C4'-P energy: -9.385 bonds (distance) P-C4' energy: -12.448 flat angles C4'-P-C4' energy: -12.755 flat angles P-C4'-P energy: -8.521 tors. eta vs tors. theta energy: -15.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -197.113270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.113270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.113270 (E_RNA) where: Base-Base interactions energy: -134.294 where: short stacking energy: -57.794 Base-Backbone interact. energy: -0.722 local terms energy: -62.097282 where: bonds (distance) C4'-P energy: -12.688 bonds (distance) P-C4' energy: -10.507 flat angles C4'-P-C4' energy: -13.828 flat angles P-C4'-P energy: -9.941 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: 4, replica: 2 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -194.842595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.842595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.842595 (E_RNA) where: Base-Base interactions energy: -133.413 where: short stacking energy: -59.478 Base-Backbone interact. energy: 0.542 local terms energy: -61.971096 where: bonds (distance) C4'-P energy: -10.851 bonds (distance) P-C4' energy: -12.230 flat angles C4'-P-C4' energy: -12.012 flat angles P-C4'-P energy: -10.480 tors. eta vs tors. theta energy: -16.398 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: 7 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -178.862953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.862953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.862953 (E_RNA) where: Base-Base interactions energy: -119.922 where: short stacking energy: -44.183 Base-Backbone interact. energy: -0.683 local terms energy: -58.258150 where: bonds (distance) C4'-P energy: -8.448 bonds (distance) P-C4' energy: -15.584 flat angles C4'-P-C4' energy: -14.266 flat angles P-C4'-P energy: -8.076 tors. eta vs tors. theta energy: -11.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -182.731363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.731363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.731363 (E_RNA) where: Base-Base interactions energy: -126.326 where: short stacking energy: -51.655 Base-Backbone interact. energy: -0.008 local terms energy: -56.396493 where: bonds (distance) C4'-P energy: -13.677 bonds (distance) P-C4' energy: -9.694 flat angles C4'-P-C4' energy: -12.417 flat angles P-C4'-P energy: -7.098 tors. eta vs tors. theta energy: -13.510 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: 10 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -189.724231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.724231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.724231 (E_RNA) where: Base-Base interactions energy: -130.565 where: short stacking energy: -53.391 Base-Backbone interact. energy: 0.622 local terms energy: -59.781596 where: bonds (distance) C4'-P energy: -10.420 bonds (distance) P-C4' energy: -13.542 flat angles C4'-P-C4' energy: -9.885 flat angles P-C4'-P energy: -9.354 tors. eta vs tors. theta energy: -16.581 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: 6 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -171.246789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.246789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.246789 (E_RNA) where: Base-Base interactions energy: -118.253 where: short stacking energy: -51.898 Base-Backbone interact. energy: -0.026 local terms energy: -52.968008 where: bonds (distance) C4'-P energy: -11.677 bonds (distance) P-C4' energy: -8.853 flat angles C4'-P-C4' energy: -9.881 flat angles P-C4'-P energy: -9.315 tors. eta vs tors. theta energy: -13.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -70.682586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.682586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.682586 (E_RNA) where: Base-Base interactions energy: -23.369 where: short stacking energy: -23.369 Base-Backbone interact. energy: 1.071 local terms energy: -48.383990 where: bonds (distance) C4'-P energy: -12.208 bonds (distance) P-C4' energy: -13.043 flat angles C4'-P-C4' energy: -11.475 flat angles P-C4'-P energy: -6.923 tors. eta vs tors. theta energy: -4.735 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: 8 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -64.204000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.204000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.204000 (E_RNA) where: Base-Base interactions energy: -22.081 where: short stacking energy: -22.081 Base-Backbone interact. energy: -0.009 local terms energy: -42.114933 where: bonds (distance) C4'-P energy: -8.843 bonds (distance) P-C4' energy: -8.427 flat angles C4'-P-C4' energy: -12.032 flat angles P-C4'-P energy: -8.740 tors. eta vs tors. theta energy: -4.073 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: 5 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -202.666176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.666176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.666176 (E_RNA) where: Base-Base interactions energy: -137.771 where: short stacking energy: -57.571 Base-Backbone interact. energy: -0.004 local terms energy: -64.891327 where: bonds (distance) C4'-P energy: -10.049 bonds (distance) P-C4' energy: -12.058 flat angles C4'-P-C4' energy: -13.825 flat angles P-C4'-P energy: -11.557 tors. eta vs tors. theta energy: -17.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -202.901378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.901378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.901378 (E_RNA) where: Base-Base interactions energy: -141.125 where: short stacking energy: -59.014 Base-Backbone interact. energy: 0.638 local terms energy: -62.413983 where: bonds (distance) C4'-P energy: -10.929 bonds (distance) P-C4' energy: -13.236 flat angles C4'-P-C4' energy: -11.459 flat angles P-C4'-P energy: -10.925 tors. eta vs tors. theta energy: -15.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -197.287445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.287445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.287445 (E_RNA) where: Base-Base interactions energy: -130.475 where: short stacking energy: -50.527 Base-Backbone interact. energy: -0.914 local terms energy: -65.898334 where: bonds (distance) C4'-P energy: -13.433 bonds (distance) P-C4' energy: -14.019 flat angles C4'-P-C4' energy: -13.628 flat angles P-C4'-P energy: -8.651 tors. eta vs tors. theta energy: -16.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -199.759762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.759762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.759762 (E_RNA) where: Base-Base interactions energy: -140.173 where: short stacking energy: -59.178 Base-Backbone interact. energy: -0.023 local terms energy: -59.563216 where: bonds (distance) C4'-P energy: -11.710 bonds (distance) P-C4' energy: -11.490 flat angles C4'-P-C4' energy: -11.142 flat angles P-C4'-P energy: -6.685 tors. eta vs tors. theta energy: -18.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -177.879414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.879414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.879414 (E_RNA) where: Base-Base interactions energy: -120.230 where: short stacking energy: -43.597 Base-Backbone interact. energy: -0.046 local terms energy: -57.603788 where: bonds (distance) C4'-P energy: -10.282 bonds (distance) P-C4' energy: -13.913 flat angles C4'-P-C4' energy: -11.624 flat angles P-C4'-P energy: -9.358 tors. eta vs tors. theta energy: -12.427 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: 10 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -176.733573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.733573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.733573 (E_RNA) where: Base-Base interactions energy: -120.896 where: short stacking energy: -53.142 Base-Backbone interact. energy: 0.354 local terms energy: -56.191373 where: bonds (distance) C4'-P energy: -12.468 bonds (distance) P-C4' energy: -9.555 flat angles C4'-P-C4' energy: -12.137 flat angles P-C4'-P energy: -6.690 tors. eta vs tors. theta energy: -15.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -178.393280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.393280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.393280 (E_RNA) where: Base-Base interactions energy: -126.527 where: short stacking energy: -52.794 Base-Backbone interact. energy: -0.025 local terms energy: -51.840614 where: bonds (distance) C4'-P energy: -5.568 bonds (distance) P-C4' energy: -12.895 flat angles C4'-P-C4' energy: -10.315 flat angles P-C4'-P energy: -7.310 tors. eta vs tors. theta energy: -15.753 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: 6 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -166.668018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.668018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.668018 (E_RNA) where: Base-Base interactions energy: -112.818 where: short stacking energy: -45.326 Base-Backbone interact. energy: -0.096 local terms energy: -53.753767 where: bonds (distance) C4'-P energy: -14.199 bonds (distance) P-C4' energy: -7.794 flat angles C4'-P-C4' energy: -11.168 flat angles P-C4'-P energy: -9.913 tors. eta vs tors. theta energy: -10.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -76.692864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.692864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.692864 (E_RNA) where: Base-Base interactions energy: -30.955 where: short stacking energy: -30.955 Base-Backbone interact. energy: -0.001 local terms energy: -45.737238 where: bonds (distance) C4'-P energy: -11.785 bonds (distance) P-C4' energy: -12.603 flat angles C4'-P-C4' energy: -7.418 flat angles P-C4'-P energy: -5.778 tors. eta vs tors. theta energy: -8.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -66.362758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.362758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.362758 (E_RNA) where: Base-Base interactions energy: -17.434 where: short stacking energy: -17.318 Base-Backbone interact. energy: -0.078 local terms energy: -48.850695 where: bonds (distance) C4'-P energy: -11.148 bonds (distance) P-C4' energy: -13.606 flat angles C4'-P-C4' energy: -10.699 flat angles P-C4'-P energy: -11.451 tors. eta vs tors. theta energy: -1.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -205.700154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.700154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.700154 (E_RNA) where: Base-Base interactions energy: -139.983 where: short stacking energy: -61.990 Base-Backbone interact. energy: -0.789 local terms energy: -64.928318 where: bonds (distance) C4'-P energy: -12.874 bonds (distance) P-C4' energy: -13.060 flat angles C4'-P-C4' energy: -11.838 flat angles P-C4'-P energy: -8.975 tors. eta vs tors. theta energy: -18.180 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: 5 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -198.970848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.970848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.970848 (E_RNA) where: Base-Base interactions energy: -138.895 where: short stacking energy: -54.882 Base-Backbone interact. energy: -0.004 local terms energy: -60.072169 where: bonds (distance) C4'-P energy: -10.005 bonds (distance) P-C4' energy: -13.159 flat angles C4'-P-C4' energy: -12.913 flat angles P-C4'-P energy: -9.366 tors. eta vs tors. theta energy: -14.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -193.770739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.770739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.770739 (E_RNA) where: Base-Base interactions energy: -131.543 where: short stacking energy: -55.636 Base-Backbone interact. energy: -0.001 local terms energy: -62.227342 where: bonds (distance) C4'-P energy: -13.454 bonds (distance) P-C4' energy: -13.944 flat angles C4'-P-C4' energy: -11.937 flat angles P-C4'-P energy: -5.458 tors. eta vs tors. theta energy: -17.434 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: 4 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -187.605300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.605300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.605300 (E_RNA) where: Base-Base interactions energy: -131.921 where: short stacking energy: -54.511 Base-Backbone interact. energy: -0.011 local terms energy: -55.672855 where: bonds (distance) C4'-P energy: -8.498 bonds (distance) P-C4' energy: -14.674 flat angles C4'-P-C4' energy: -11.119 flat angles P-C4'-P energy: -8.504 tors. eta vs tors. theta energy: -12.878 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: 10 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -188.295725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.295725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.295725 (E_RNA) where: Base-Base interactions energy: -128.392 where: short stacking energy: -51.166 Base-Backbone interact. energy: -0.032 local terms energy: -59.871141 where: bonds (distance) C4'-P energy: -10.816 bonds (distance) P-C4' energy: -12.388 flat angles C4'-P-C4' energy: -13.677 flat angles P-C4'-P energy: -7.422 tors. eta vs tors. theta energy: -15.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -182.659499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.659499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.659499 (E_RNA) where: Base-Base interactions energy: -125.292 where: short stacking energy: -47.623 Base-Backbone interact. energy: 1.093 local terms energy: -58.461144 where: bonds (distance) C4'-P energy: -13.355 bonds (distance) P-C4' energy: -12.982 flat angles C4'-P-C4' energy: -11.820 flat angles P-C4'-P energy: -9.660 tors. eta vs tors. theta energy: -10.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -182.364945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.364945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.364945 (E_RNA) where: Base-Base interactions energy: -124.945 where: short stacking energy: -48.203 Base-Backbone interact. energy: -0.117 local terms energy: -57.302797 where: bonds (distance) C4'-P energy: -9.972 bonds (distance) P-C4' energy: -14.214 flat angles C4'-P-C4' energy: -11.341 flat angles P-C4'-P energy: -7.371 tors. eta vs tors. theta energy: -14.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -167.705155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.705155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.705155 (E_RNA) where: Base-Base interactions energy: -114.544 where: short stacking energy: -51.709 Base-Backbone interact. energy: -0.001 local terms energy: -53.160985 where: bonds (distance) C4'-P energy: -13.524 bonds (distance) P-C4' energy: -7.960 flat angles C4'-P-C4' energy: -10.664 flat angles P-C4'-P energy: -5.313 tors. eta vs tors. theta energy: -15.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -76.482181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.482181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.482181 (E_RNA) where: Base-Base interactions energy: -32.086 where: short stacking energy: -27.949 Base-Backbone interact. energy: -0.148 local terms energy: -44.248330 where: bonds (distance) C4'-P energy: -8.382 bonds (distance) P-C4' energy: -11.756 flat angles C4'-P-C4' energy: -14.112 flat angles P-C4'-P energy: -4.729 tors. eta vs tors. theta energy: -5.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -65.406767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.406767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.406767 (E_RNA) where: Base-Base interactions energy: -24.592 where: short stacking energy: -19.055 Base-Backbone interact. energy: -0.041 local terms energy: -40.774264 where: bonds (distance) C4'-P energy: -14.092 bonds (distance) P-C4' energy: -10.358 flat angles C4'-P-C4' energy: -9.722 flat angles P-C4'-P energy: -5.283 tors. eta vs tors. theta energy: -1.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -204.844176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.844176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.844176 (E_RNA) where: Base-Base interactions energy: -142.416 where: short stacking energy: -62.422 Base-Backbone interact. energy: -0.001 local terms energy: -62.427378 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -15.027 flat angles C4'-P-C4' energy: -13.719 flat angles P-C4'-P energy: -8.616 tors. eta vs tors. theta energy: -16.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -202.463374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.463374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.463374 (E_RNA) where: Base-Base interactions energy: -144.038 where: short stacking energy: -61.149 Base-Backbone interact. energy: 0.261 local terms energy: -58.686253 where: bonds (distance) C4'-P energy: -12.146 bonds (distance) P-C4' energy: -11.859 flat angles C4'-P-C4' energy: -10.998 flat angles P-C4'-P energy: -7.054 tors. eta vs tors. theta energy: -16.630 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: 5 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -194.326412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.326412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.326412 (E_RNA) where: Base-Base interactions energy: -136.245 where: short stacking energy: -58.673 Base-Backbone interact. energy: -0.126 local terms energy: -57.955784 where: bonds (distance) C4'-P energy: -7.985 bonds (distance) P-C4' energy: -10.862 flat angles C4'-P-C4' energy: -12.344 flat angles P-C4'-P energy: -9.321 tors. eta vs tors. theta energy: -17.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -182.546946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.546946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.546946 (E_RNA) where: Base-Base interactions energy: -122.957 where: short stacking energy: -53.022 Base-Backbone interact. energy: -0.000 local terms energy: -59.589537 where: bonds (distance) C4'-P energy: -10.490 bonds (distance) P-C4' energy: -12.827 flat angles C4'-P-C4' energy: -12.700 flat angles P-C4'-P energy: -7.862 tors. eta vs tors. theta energy: -15.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -189.823310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.823310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.823310 (E_RNA) where: Base-Base interactions energy: -131.346 where: short stacking energy: -56.391 Base-Backbone interact. energy: -0.069 local terms energy: -58.408661 where: bonds (distance) C4'-P energy: -10.946 bonds (distance) P-C4' energy: -12.331 flat angles C4'-P-C4' energy: -12.073 flat angles P-C4'-P energy: -6.192 tors. eta vs tors. theta energy: -16.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -185.206106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.206106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.206106 (E_RNA) where: Base-Base interactions energy: -133.990 where: short stacking energy: -58.066 Base-Backbone interact. energy: -0.126 local terms energy: -51.090148 where: bonds (distance) C4'-P energy: -13.967 bonds (distance) P-C4' energy: -6.433 flat angles C4'-P-C4' energy: -8.213 flat angles P-C4'-P energy: -5.416 tors. eta vs tors. theta energy: -17.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -164.754210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.754210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.754210 (E_RNA) where: Base-Base interactions energy: -114.137 where: short stacking energy: -46.665 Base-Backbone interact. energy: -0.230 local terms energy: -50.387381 where: bonds (distance) C4'-P energy: -9.040 bonds (distance) P-C4' energy: -6.913 flat angles C4'-P-C4' energy: -13.938 flat angles P-C4'-P energy: -9.791 tors. eta vs tors. theta energy: -10.705 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: 9 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -177.136405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.136405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.136405 (E_RNA) where: Base-Base interactions energy: -122.564 where: short stacking energy: -56.002 Base-Backbone interact. energy: -0.019 local terms energy: -54.554121 where: bonds (distance) C4'-P energy: -4.158 bonds (distance) P-C4' energy: -10.822 flat angles C4'-P-C4' energy: -13.985 flat angles P-C4'-P energy: -10.904 tors. eta vs tors. theta energy: -14.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -63.654539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.654539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.654539 (E_RNA) where: Base-Base interactions energy: -23.141 where: short stacking energy: -17.922 Base-Backbone interact. energy: -0.148 local terms energy: -40.365469 where: bonds (distance) C4'-P energy: -12.307 bonds (distance) P-C4' energy: -11.131 flat angles C4'-P-C4' energy: -7.939 flat angles P-C4'-P energy: -9.013 tors. eta vs tors. theta energy: 0.025 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: 10, replica: 3 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -72.048040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.048040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.048040 (E_RNA) where: Base-Base interactions energy: -27.598 where: short stacking energy: -25.973 Base-Backbone interact. energy: -0.073 local terms energy: -44.376332 where: bonds (distance) C4'-P energy: -12.199 bonds (distance) P-C4' energy: -9.151 flat angles C4'-P-C4' energy: -10.091 flat angles P-C4'-P energy: -10.290 tors. eta vs tors. theta energy: -2.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -206.242031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.242031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.242031 (E_RNA) where: Base-Base interactions energy: -140.478 where: short stacking energy: -59.359 Base-Backbone interact. energy: -0.021 local terms energy: -65.743231 where: bonds (distance) C4'-P energy: -10.651 bonds (distance) P-C4' energy: -14.029 flat angles C4'-P-C4' energy: -12.784 flat angles P-C4'-P energy: -10.153 tors. eta vs tors. theta energy: -18.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -203.861804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.861804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.861804 (E_RNA) where: Base-Base interactions energy: -140.529 where: short stacking energy: -60.193 Base-Backbone interact. energy: -0.003 local terms energy: -63.330078 where: bonds (distance) C4'-P energy: -13.612 bonds (distance) P-C4' energy: -14.029 flat angles C4'-P-C4' energy: -11.400 flat angles P-C4'-P energy: -9.262 tors. eta vs tors. theta energy: -15.027 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: 5 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -200.951723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.951723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.951723 (E_RNA) where: Base-Base interactions energy: -136.232 where: short stacking energy: -59.612 Base-Backbone interact. energy: -0.138 local terms energy: -64.581343 where: bonds (distance) C4'-P energy: -10.853 bonds (distance) P-C4' energy: -13.064 flat angles C4'-P-C4' energy: -13.294 flat angles P-C4'-P energy: -8.545 tors. eta vs tors. theta energy: -18.824 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: 10 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -194.374117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.374117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.374117 (E_RNA) where: Base-Base interactions energy: -138.296 where: short stacking energy: -59.486 Base-Backbone interact. energy: -0.001 local terms energy: -56.077507 where: bonds (distance) C4'-P energy: -11.606 bonds (distance) P-C4' energy: -10.180 flat angles C4'-P-C4' energy: -12.399 flat angles P-C4'-P energy: -6.540 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: 5, replica: 6 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -190.848639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.848639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.848639 (E_RNA) where: Base-Base interactions energy: -131.164 where: short stacking energy: -59.136 Base-Backbone interact. energy: -0.345 local terms energy: -59.339168 where: bonds (distance) C4'-P energy: -12.917 bonds (distance) P-C4' energy: -12.895 flat angles C4'-P-C4' energy: -9.711 flat angles P-C4'-P energy: -6.359 tors. eta vs tors. theta energy: -17.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -182.877054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.877054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.877054 (E_RNA) where: Base-Base interactions energy: -127.689 where: short stacking energy: -51.319 Base-Backbone interact. energy: -0.007 local terms energy: -55.181071 where: bonds (distance) C4'-P energy: -9.095 bonds (distance) P-C4' energy: -11.806 flat angles C4'-P-C4' energy: -11.333 flat angles P-C4'-P energy: -9.235 tors. eta vs tors. theta energy: -13.713 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: 9 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -181.644278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.644278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.644278 (E_RNA) where: Base-Base interactions energy: -128.743 where: short stacking energy: -54.143 Base-Backbone interact. energy: 0.849 local terms energy: -53.750209 where: bonds (distance) C4'-P energy: -7.347 bonds (distance) P-C4' energy: -10.994 flat angles C4'-P-C4' energy: -9.858 flat angles P-C4'-P energy: -10.374 tors. eta vs tors. theta energy: -15.176 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: 7 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -163.549820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.549820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.549820 (E_RNA) where: Base-Base interactions energy: -115.077 where: short stacking energy: -44.672 Base-Backbone interact. energy: -0.151 local terms energy: -48.322379 where: bonds (distance) C4'-P energy: -8.324 bonds (distance) P-C4' energy: -11.150 flat angles C4'-P-C4' energy: -12.325 flat angles P-C4'-P energy: -7.196 tors. eta vs tors. theta energy: -9.328 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: 8 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -94.653525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.653525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.653525 (E_RNA) where: Base-Base interactions energy: -54.226 where: short stacking energy: -31.009 Base-Backbone interact. energy: 0.005 local terms energy: -40.432566 where: bonds (distance) C4'-P energy: -7.524 bonds (distance) P-C4' energy: -13.254 flat angles C4'-P-C4' energy: -8.371 flat angles P-C4'-P energy: -3.641 tors. eta vs tors. theta energy: -7.643 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: 3 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -70.585353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.585353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.585353 (E_RNA) where: Base-Base interactions energy: -34.430 where: short stacking energy: -30.773 Base-Backbone interact. energy: -0.308 local terms energy: -35.847949 where: bonds (distance) C4'-P energy: -6.220 bonds (distance) P-C4' energy: -8.178 flat angles C4'-P-C4' energy: -9.255 flat angles P-C4'-P energy: -4.538 tors. eta vs tors. theta energy: -7.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -209.188738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.188738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.188738 (E_RNA) where: Base-Base interactions energy: -146.560 where: short stacking energy: -63.351 Base-Backbone interact. energy: -0.001 local terms energy: -62.627190 where: bonds (distance) C4'-P energy: -13.777 bonds (distance) P-C4' energy: -12.426 flat angles C4'-P-C4' energy: -12.548 flat angles P-C4'-P energy: -8.463 tors. eta vs tors. theta energy: -15.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -185.560219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.560219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.560219 (E_RNA) where: Base-Base interactions energy: -125.397 where: short stacking energy: -58.604 Base-Backbone interact. energy: 0.133 local terms energy: -60.296606 where: bonds (distance) C4'-P energy: -11.056 bonds (distance) P-C4' energy: -11.156 flat angles C4'-P-C4' energy: -12.477 flat angles P-C4'-P energy: -10.854 tors. eta vs tors. theta energy: -14.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -201.369784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.369784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.369784 (E_RNA) where: Base-Base interactions energy: -142.023 where: short stacking energy: -62.190 Base-Backbone interact. energy: 0.631 local terms energy: -59.976969 where: bonds (distance) C4'-P energy: -8.892 bonds (distance) P-C4' energy: -14.029 flat angles C4'-P-C4' energy: -14.010 flat angles P-C4'-P energy: -8.684 tors. eta vs tors. theta energy: -14.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -197.323793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.323793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.323793 (E_RNA) where: Base-Base interactions energy: -134.975 where: short stacking energy: -51.771 Base-Backbone interact. energy: -0.001 local terms energy: -62.348169 where: bonds (distance) C4'-P energy: -12.641 bonds (distance) P-C4' energy: -13.518 flat angles C4'-P-C4' energy: -10.533 flat angles P-C4'-P energy: -8.892 tors. eta vs tors. theta energy: -16.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -185.041304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.041304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.041304 (E_RNA) where: Base-Base interactions energy: -128.236 where: short stacking energy: -54.229 Base-Backbone interact. energy: 1.728 local terms energy: -58.533053 where: bonds (distance) C4'-P energy: -11.781 bonds (distance) P-C4' energy: -14.371 flat angles C4'-P-C4' energy: -8.904 flat angles P-C4'-P energy: -8.380 tors. eta vs tors. theta energy: -15.097 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: 9 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -179.267112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.267112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.267112 (E_RNA) where: Base-Base interactions energy: -127.494 where: short stacking energy: -49.361 Base-Backbone interact. energy: -0.048 local terms energy: -51.725205 where: bonds (distance) C4'-P energy: -5.919 bonds (distance) P-C4' energy: -12.452 flat angles C4'-P-C4' energy: -13.981 flat angles P-C4'-P energy: -7.725 tors. eta vs tors. theta energy: -11.647 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: 7, replica: 4 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -171.248408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.248408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.248408 (E_RNA) where: Base-Base interactions energy: -123.254 where: short stacking energy: -41.720 Base-Backbone interact. energy: 0.214 local terms energy: -48.208491 where: bonds (distance) C4'-P energy: -11.943 bonds (distance) P-C4' energy: -11.132 flat angles C4'-P-C4' energy: -8.955 flat angles P-C4'-P energy: -4.997 tors. eta vs tors. theta energy: -11.181 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: 7 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -159.788038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.788038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.788038 (E_RNA) where: Base-Base interactions energy: -116.306 where: short stacking energy: -43.877 Base-Backbone interact. energy: -0.129 local terms energy: -43.353860 where: bonds (distance) C4'-P energy: -10.817 bonds (distance) P-C4' energy: -9.083 flat angles C4'-P-C4' energy: -9.609 flat angles P-C4'-P energy: -7.701 tors. eta vs tors. theta energy: -6.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -89.448362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.448362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.448362 (E_RNA) where: Base-Base interactions energy: -49.261 where: short stacking energy: -20.126 Base-Backbone interact. energy: -1.030 local terms energy: -39.157105 where: bonds (distance) C4'-P energy: -7.243 bonds (distance) P-C4' energy: -12.899 flat angles C4'-P-C4' energy: -7.286 flat angles P-C4'-P energy: -9.528 tors. eta vs tors. theta energy: -2.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -62.916079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.916079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.916079 (E_RNA) where: Base-Base interactions energy: -20.094 where: short stacking energy: -20.094 Base-Backbone interact. energy: -0.034 local terms energy: -42.787978 where: bonds (distance) C4'-P energy: -10.734 bonds (distance) P-C4' energy: -10.112 flat angles C4'-P-C4' energy: -13.459 flat angles P-C4'-P energy: -5.425 tors. eta vs tors. theta energy: -3.058 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: 1, replica: 5 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -201.272235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.272235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.272235 (E_RNA) where: Base-Base interactions energy: -141.549 where: short stacking energy: -52.330 Base-Backbone interact. energy: -0.106 local terms energy: -59.616966 where: bonds (distance) C4'-P energy: -10.800 bonds (distance) P-C4' energy: -12.613 flat angles C4'-P-C4' energy: -12.111 flat angles P-C4'-P energy: -8.660 tors. eta vs tors. theta energy: -15.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -201.559943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.559943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.559943 (E_RNA) where: Base-Base interactions energy: -135.861 where: short stacking energy: -55.825 Base-Backbone interact. energy: -0.002 local terms energy: -65.697211 where: bonds (distance) C4'-P energy: -11.259 bonds (distance) P-C4' energy: -12.700 flat angles C4'-P-C4' energy: -15.542 flat angles P-C4'-P energy: -8.983 tors. eta vs tors. theta energy: -17.214 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: 10 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -196.999296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.999296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.999296 (E_RNA) where: Base-Base interactions energy: -140.044 where: short stacking energy: -54.624 Base-Backbone interact. energy: -0.249 local terms energy: -56.705680 where: bonds (distance) C4'-P energy: -9.297 bonds (distance) P-C4' energy: -11.598 flat angles C4'-P-C4' energy: -11.435 flat angles P-C4'-P energy: -9.421 tors. eta vs tors. theta energy: -14.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -195.365737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.365737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.365737 (E_RNA) where: Base-Base interactions energy: -139.566 where: short stacking energy: -58.568 Base-Backbone interact. energy: 1.189 local terms energy: -56.988686 where: bonds (distance) C4'-P energy: -12.049 bonds (distance) P-C4' energy: -11.911 flat angles C4'-P-C4' energy: -12.610 flat angles P-C4'-P energy: -4.812 tors. eta vs tors. theta energy: -15.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -180.292969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.292969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.292969 (E_RNA) where: Base-Base interactions energy: -130.573 where: short stacking energy: -47.439 Base-Backbone interact. energy: -0.496 local terms energy: -49.223708 where: bonds (distance) C4'-P energy: -8.651 bonds (distance) P-C4' energy: -12.656 flat angles C4'-P-C4' energy: -11.003 flat angles P-C4'-P energy: -5.985 tors. eta vs tors. theta energy: -10.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -179.943832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.943832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.943832 (E_RNA) where: Base-Base interactions energy: -127.355 where: short stacking energy: -50.789 Base-Backbone interact. energy: 1.437 local terms energy: -54.026664 where: bonds (distance) C4'-P energy: -11.309 bonds (distance) P-C4' energy: -13.118 flat angles C4'-P-C4' energy: -9.240 flat angles P-C4'-P energy: -8.202 tors. eta vs tors. theta energy: -12.157 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: 7 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -181.791070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.791070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.791070 (E_RNA) where: Base-Base interactions energy: -126.892 where: short stacking energy: -51.506 Base-Backbone interact. energy: -0.078 local terms energy: -54.820754 where: bonds (distance) C4'-P energy: -12.191 bonds (distance) P-C4' energy: -13.966 flat angles C4'-P-C4' energy: -9.226 flat angles P-C4'-P energy: -4.097 tors. eta vs tors. theta energy: -15.340 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: 4 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -176.829554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.829554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.829554 (E_RNA) where: Base-Base interactions energy: -123.973 where: short stacking energy: -49.939 Base-Backbone interact. energy: -0.553 local terms energy: -52.303636 where: bonds (distance) C4'-P energy: -11.918 bonds (distance) P-C4' energy: -7.848 flat angles C4'-P-C4' energy: -11.043 flat angles P-C4'-P energy: -6.362 tors. eta vs tors. theta energy: -15.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -65.220328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.220328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.220328 (E_RNA) where: Base-Base interactions energy: -22.169 where: short stacking energy: -20.916 Base-Backbone interact. energy: -0.259 local terms energy: -42.792105 where: bonds (distance) C4'-P energy: -11.810 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -11.891 flat angles P-C4'-P energy: -9.678 tors. eta vs tors. theta energy: -2.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -60.155411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.155411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.155411 (E_RNA) where: Base-Base interactions energy: -21.854 where: short stacking energy: -21.249 Base-Backbone interact. energy: 0.450 local terms energy: -38.751299 where: bonds (distance) C4'-P energy: -11.434 bonds (distance) P-C4' energy: -11.644 flat angles C4'-P-C4' energy: -7.498 flat angles P-C4'-P energy: -4.058 tors. eta vs tors. theta energy: -4.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -191.524727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.524727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.524727 (E_RNA) where: Base-Base interactions energy: -136.009 where: short stacking energy: -47.819 Base-Backbone interact. energy: -0.223 local terms energy: -55.291840 where: bonds (distance) C4'-P energy: -7.654 bonds (distance) P-C4' energy: -14.557 flat angles C4'-P-C4' energy: -14.091 flat angles P-C4'-P energy: -8.418 tors. eta vs tors. theta energy: -10.573 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: 10 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -186.026813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.026813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.026813 (E_RNA) where: Base-Base interactions energy: -137.004 where: short stacking energy: -53.961 Base-Backbone interact. energy: -0.003 local terms energy: -49.019764 where: bonds (distance) C4'-P energy: -3.125 bonds (distance) P-C4' energy: -11.824 flat angles C4'-P-C4' energy: -13.260 flat angles P-C4'-P energy: -8.209 tors. eta vs tors. theta energy: -12.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -195.724838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.724838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.724838 (E_RNA) where: Base-Base interactions energy: -130.936 where: short stacking energy: -55.379 Base-Backbone interact. energy: -0.741 local terms energy: -64.047980 where: bonds (distance) C4'-P energy: -10.282 bonds (distance) P-C4' energy: -13.765 flat angles C4'-P-C4' energy: -15.039 flat angles P-C4'-P energy: -8.481 tors. eta vs tors. theta energy: -16.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -190.378502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.378502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.378502 (E_RNA) where: Base-Base interactions energy: -132.134 where: short stacking energy: -53.958 Base-Backbone interact. energy: -0.589 local terms energy: -57.655003 where: bonds (distance) C4'-P energy: -10.005 bonds (distance) P-C4' energy: -10.384 flat angles C4'-P-C4' energy: -13.603 flat angles P-C4'-P energy: -6.461 tors. eta vs tors. theta energy: -17.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -180.886035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.886035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.886035 (E_RNA) where: Base-Base interactions energy: -123.209 where: short stacking energy: -50.256 Base-Backbone interact. energy: -0.107 local terms energy: -57.569694 where: bonds (distance) C4'-P energy: -11.628 bonds (distance) P-C4' energy: -11.475 flat angles C4'-P-C4' energy: -12.722 flat angles P-C4'-P energy: -6.329 tors. eta vs tors. theta energy: -15.417 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: 6 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -193.009459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.009459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.009459 (E_RNA) where: Base-Base interactions energy: -136.029 where: short stacking energy: -59.311 Base-Backbone interact. energy: 0.382 local terms energy: -57.362110 where: bonds (distance) C4'-P energy: -10.439 bonds (distance) P-C4' energy: -12.898 flat angles C4'-P-C4' energy: -8.883 flat angles P-C4'-P energy: -10.653 tors. eta vs tors. theta energy: -14.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -171.520082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.520082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.520082 (E_RNA) where: Base-Base interactions energy: -110.218 where: short stacking energy: -46.790 Base-Backbone interact. energy: -0.191 local terms energy: -61.111460 where: bonds (distance) C4'-P energy: -11.918 bonds (distance) P-C4' energy: -15.143 flat angles C4'-P-C4' energy: -12.982 flat angles P-C4'-P energy: -8.575 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: 8, replica: 4 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -174.525185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.525185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.525185 (E_RNA) where: Base-Base interactions energy: -118.088 where: short stacking energy: -48.581 Base-Backbone interact. energy: -0.016 local terms energy: -56.421302 where: bonds (distance) C4'-P energy: -10.710 bonds (distance) P-C4' energy: -13.386 flat angles C4'-P-C4' energy: -12.367 flat angles P-C4'-P energy: -8.936 tors. eta vs tors. theta energy: -11.022 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: 9, replica: 3 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -86.319319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.319319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.319319 (E_RNA) where: Base-Base interactions energy: -47.506 where: short stacking energy: -26.382 Base-Backbone interact. energy: 0.259 local terms energy: -39.072965 where: bonds (distance) C4'-P energy: -9.777 bonds (distance) P-C4' energy: -11.824 flat angles C4'-P-C4' energy: -9.431 flat angles P-C4'-P energy: -5.482 tors. eta vs tors. theta energy: -2.558 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: 10, replica: 8 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -61.634607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.634607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.634607 (E_RNA) where: Base-Base interactions energy: -24.275 where: short stacking energy: -21.981 Base-Backbone interact. energy: -0.041 local terms energy: -37.318803 where: bonds (distance) C4'-P energy: -12.866 bonds (distance) P-C4' energy: -9.972 flat angles C4'-P-C4' energy: -7.278 flat angles P-C4'-P energy: -5.687 tors. eta vs tors. theta energy: -1.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -201.812981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.812981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.812981 (E_RNA) where: Base-Base interactions energy: -141.058 where: short stacking energy: -60.389 Base-Backbone interact. energy: -0.008 local terms energy: -60.747757 where: bonds (distance) C4'-P energy: -10.243 bonds (distance) P-C4' energy: -13.209 flat angles C4'-P-C4' energy: -13.718 flat angles P-C4'-P energy: -9.593 tors. eta vs tors. theta energy: -13.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -194.296076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.296076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.296076 (E_RNA) where: Base-Base interactions energy: -136.196 where: short stacking energy: -53.844 Base-Backbone interact. energy: -0.016 local terms energy: -58.084134 where: bonds (distance) C4'-P energy: -10.916 bonds (distance) P-C4' energy: -14.134 flat angles C4'-P-C4' energy: -12.554 flat angles P-C4'-P energy: -6.831 tors. eta vs tors. theta energy: -13.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -195.133752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.133752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.133752 (E_RNA) where: Base-Base interactions energy: -132.303 where: short stacking energy: -53.716 Base-Backbone interact. energy: -0.716 local terms energy: -62.114753 where: bonds (distance) C4'-P energy: -9.161 bonds (distance) P-C4' energy: -13.031 flat angles C4'-P-C4' energy: -14.376 flat angles P-C4'-P energy: -8.382 tors. eta vs tors. theta energy: -17.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -195.819194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.819194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.819194 (E_RNA) where: Base-Base interactions energy: -130.209 where: short stacking energy: -52.896 Base-Backbone interact. energy: -0.000 local terms energy: -65.610115 where: bonds (distance) C4'-P energy: -12.054 bonds (distance) P-C4' energy: -14.384 flat angles C4'-P-C4' energy: -13.031 flat angles P-C4'-P energy: -9.443 tors. eta vs tors. theta energy: -16.698 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: 6 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -186.991968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.991968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.991968 (E_RNA) where: Base-Base interactions energy: -130.994 where: short stacking energy: -50.836 Base-Backbone interact. energy: -0.005 local terms energy: -55.992354 where: bonds (distance) C4'-P energy: -12.726 bonds (distance) P-C4' energy: -9.340 flat angles C4'-P-C4' energy: -13.505 flat angles P-C4'-P energy: -6.748 tors. eta vs tors. theta energy: -13.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -182.981277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.981277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.981277 (E_RNA) where: Base-Base interactions energy: -124.605 where: short stacking energy: -50.508 Base-Backbone interact. energy: -0.001 local terms energy: -58.375325 where: bonds (distance) C4'-P energy: -9.506 bonds (distance) P-C4' energy: -12.323 flat angles C4'-P-C4' energy: -10.696 flat angles P-C4'-P energy: -8.488 tors. eta vs tors. theta energy: -17.363 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: 7, replica: 4 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -181.415436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.415436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.415436 (E_RNA) where: Base-Base interactions energy: -123.489 where: short stacking energy: -52.726 Base-Backbone interact. energy: -0.002 local terms energy: -57.924601 where: bonds (distance) C4'-P energy: -9.463 bonds (distance) P-C4' energy: -12.785 flat angles C4'-P-C4' energy: -12.920 flat angles P-C4'-P energy: -7.325 tors. eta vs tors. theta energy: -15.431 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: 7 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -160.053273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.053273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.053273 (E_RNA) where: Base-Base interactions energy: -113.365 where: short stacking energy: -41.469 Base-Backbone interact. energy: -0.125 local terms energy: -46.563634 where: bonds (distance) C4'-P energy: -11.329 bonds (distance) P-C4' energy: -8.263 flat angles C4'-P-C4' energy: -9.404 flat angles P-C4'-P energy: -7.828 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: 9, replica: 8 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -66.500265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.500265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.500265 (E_RNA) where: Base-Base interactions energy: -26.140 where: short stacking energy: -21.135 Base-Backbone interact. energy: 0.307 local terms energy: -40.666735 where: bonds (distance) C4'-P energy: -10.344 bonds (distance) P-C4' energy: -11.319 flat angles C4'-P-C4' energy: -9.548 flat angles P-C4'-P energy: -6.764 tors. eta vs tors. theta energy: -2.691 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: 3 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -59.677552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.677552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.677552 (E_RNA) where: Base-Base interactions energy: -19.141 where: short stacking energy: -19.141 Base-Backbone interact. energy: -0.006 local terms energy: -40.531168 where: bonds (distance) C4'-P energy: -11.888 bonds (distance) P-C4' energy: -7.901 flat angles C4'-P-C4' energy: -10.668 flat angles P-C4'-P energy: -8.384 tors. eta vs tors. theta energy: -1.692 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: 1, replica: 10 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -201.005901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.005901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.005901 (E_RNA) where: Base-Base interactions energy: -138.967 where: short stacking energy: -59.643 Base-Backbone interact. energy: -1.056 local terms energy: -60.983382 where: bonds (distance) C4'-P energy: -11.438 bonds (distance) P-C4' energy: -13.295 flat angles C4'-P-C4' energy: -12.616 flat angles P-C4'-P energy: -8.173 tors. eta vs tors. theta energy: -15.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -201.704436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.704436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.704436 (E_RNA) where: Base-Base interactions energy: -138.522 where: short stacking energy: -60.154 Base-Backbone interact. energy: -0.001 local terms energy: -63.181754 where: bonds (distance) C4'-P energy: -9.645 bonds (distance) P-C4' energy: -14.370 flat angles C4'-P-C4' energy: -12.063 flat angles P-C4'-P energy: -10.666 tors. eta vs tors. theta energy: -16.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -193.780583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.780583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.780583 (E_RNA) where: Base-Base interactions energy: -135.138 where: short stacking energy: -54.011 Base-Backbone interact. energy: -0.001 local terms energy: -58.641642 where: bonds (distance) C4'-P energy: -11.950 bonds (distance) P-C4' energy: -13.131 flat angles C4'-P-C4' energy: -11.046 flat angles P-C4'-P energy: -8.817 tors. eta vs tors. theta energy: -13.697 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: 6 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -196.846999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.846999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.846999 (E_RNA) where: Base-Base interactions energy: -134.777 where: short stacking energy: -55.360 Base-Backbone interact. energy: 0.222 local terms energy: -62.292687 where: bonds (distance) C4'-P energy: -13.194 bonds (distance) P-C4' energy: -11.200 flat angles C4'-P-C4' energy: -14.026 flat angles P-C4'-P energy: -7.945 tors. eta vs tors. theta energy: -15.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -188.685063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.685063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.685063 (E_RNA) where: Base-Base interactions energy: -131.657 where: short stacking energy: -53.110 Base-Backbone interact. energy: 0.217 local terms energy: -57.244990 where: bonds (distance) C4'-P energy: -8.929 bonds (distance) P-C4' energy: -10.939 flat angles C4'-P-C4' energy: -12.141 flat angles P-C4'-P energy: -8.679 tors. eta vs tors. theta energy: -16.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -176.658226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.658226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.658226 (E_RNA) where: Base-Base interactions energy: -119.165 where: short stacking energy: -50.770 Base-Backbone interact. energy: -0.002 local terms energy: -57.490829 where: bonds (distance) C4'-P energy: -8.279 bonds (distance) P-C4' energy: -14.442 flat angles C4'-P-C4' energy: -13.298 flat angles P-C4'-P energy: -8.973 tors. eta vs tors. theta energy: -12.499 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: 9 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -175.362085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.362085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.362085 (E_RNA) where: Base-Base interactions energy: -123.605 where: short stacking energy: -44.721 Base-Backbone interact. energy: -0.025 local terms energy: -51.732254 where: bonds (distance) C4'-P energy: -12.331 bonds (distance) P-C4' energy: -9.054 flat angles C4'-P-C4' energy: -12.476 flat angles P-C4'-P energy: -8.185 tors. eta vs tors. theta energy: -9.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -159.031678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.031678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.031678 (E_RNA) where: Base-Base interactions energy: -110.233 where: short stacking energy: -48.926 Base-Backbone interact. energy: 0.362 local terms energy: -49.161124 where: bonds (distance) C4'-P energy: -9.127 bonds (distance) P-C4' energy: -12.598 flat angles C4'-P-C4' energy: -11.913 flat angles P-C4'-P energy: -6.522 tors. eta vs tors. theta energy: -9.001 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: 9, replica: 8 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -78.314968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.314968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.314968 (E_RNA) where: Base-Base interactions energy: -32.382 where: short stacking energy: -32.382 Base-Backbone interact. energy: -0.000 local terms energy: -45.932193 where: bonds (distance) C4'-P energy: -7.769 bonds (distance) P-C4' energy: -12.067 flat angles C4'-P-C4' energy: -12.574 flat angles P-C4'-P energy: -8.943 tors. eta vs tors. theta energy: -4.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -70.963427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.963427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.963427 (E_RNA) where: Base-Base interactions energy: -27.082 where: short stacking energy: -21.030 Base-Backbone interact. energy: -0.119 local terms energy: -43.762102 where: bonds (distance) C4'-P energy: -9.959 bonds (distance) P-C4' energy: -14.882 flat angles C4'-P-C4' energy: -9.944 flat angles P-C4'-P energy: -9.013 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: 2 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -205.543576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.543576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.543576 (E_RNA) where: Base-Base interactions energy: -142.615 where: short stacking energy: -62.728 Base-Backbone interact. energy: -0.001 local terms energy: -62.927622 where: bonds (distance) C4'-P energy: -12.460 bonds (distance) P-C4' energy: -9.552 flat angles C4'-P-C4' energy: -14.376 flat angles P-C4'-P energy: -8.058 tors. eta vs tors. theta energy: -18.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -190.884570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.884570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.884570 (E_RNA) where: Base-Base interactions energy: -129.291 where: short stacking energy: -57.921 Base-Backbone interact. energy: -0.012 local terms energy: -61.581552 where: bonds (distance) C4'-P energy: -12.973 bonds (distance) P-C4' energy: -12.324 flat angles C4'-P-C4' energy: -12.790 flat angles P-C4'-P energy: -9.641 tors. eta vs tors. theta energy: -13.854 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: 6 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -194.817647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.817647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.817647 (E_RNA) where: Base-Base interactions energy: -133.835 where: short stacking energy: -51.750 Base-Backbone interact. energy: -0.261 local terms energy: -60.721566 where: bonds (distance) C4'-P energy: -12.323 bonds (distance) P-C4' energy: -13.047 flat angles C4'-P-C4' energy: -10.974 flat angles P-C4'-P energy: -7.175 tors. eta vs tors. theta energy: -17.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -197.252699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.252699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.252699 (E_RNA) where: Base-Base interactions energy: -132.828 where: short stacking energy: -53.912 Base-Backbone interact. energy: -0.001 local terms energy: -64.423484 where: bonds (distance) C4'-P energy: -12.998 bonds (distance) P-C4' energy: -12.529 flat angles C4'-P-C4' energy: -10.679 flat angles P-C4'-P energy: -9.683 tors. eta vs tors. theta energy: -18.533 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: 5, replica: 4 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -185.798043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.798043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.798043 (E_RNA) where: Base-Base interactions energy: -129.588 where: short stacking energy: -56.741 Base-Backbone interact. energy: -0.528 local terms energy: -55.682557 where: bonds (distance) C4'-P energy: -8.275 bonds (distance) P-C4' energy: -12.877 flat angles C4'-P-C4' energy: -11.576 flat angles P-C4'-P energy: -5.829 tors. eta vs tors. theta energy: -17.126 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: 438 Temperature: 1.150000 Total energy: -179.117331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.117331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.117331 (E_RNA) where: Base-Base interactions energy: -123.458 where: short stacking energy: -53.655 Base-Backbone interact. energy: -0.010 local terms energy: -55.649113 where: bonds (distance) C4'-P energy: -9.765 bonds (distance) P-C4' energy: -13.378 flat angles C4'-P-C4' energy: -8.851 flat angles P-C4'-P energy: -7.514 tors. eta vs tors. theta energy: -16.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -175.192866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.192866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.192866 (E_RNA) where: Base-Base interactions energy: -121.116 where: short stacking energy: -48.604 Base-Backbone interact. energy: -0.003 local terms energy: -54.073780 where: bonds (distance) C4'-P energy: -12.687 bonds (distance) P-C4' energy: -10.731 flat angles C4'-P-C4' energy: -12.341 flat angles P-C4'-P energy: -8.243 tors. eta vs tors. theta energy: -10.071 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: 7 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -156.604353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.604353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.604353 (E_RNA) where: Base-Base interactions energy: -108.878 where: short stacking energy: -40.514 Base-Backbone interact. energy: -0.268 local terms energy: -47.458199 where: bonds (distance) C4'-P energy: -9.971 bonds (distance) P-C4' energy: -6.409 flat angles C4'-P-C4' energy: -14.145 flat angles P-C4'-P energy: -7.276 tors. eta vs tors. theta energy: -9.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -71.095916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.095916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.095916 (E_RNA) where: Base-Base interactions energy: -25.772 where: short stacking energy: -22.181 Base-Backbone interact. energy: -0.210 local terms energy: -45.113454 where: bonds (distance) C4'-P energy: -9.863 bonds (distance) P-C4' energy: -14.907 flat angles C4'-P-C4' energy: -12.967 flat angles P-C4'-P energy: -5.298 tors. eta vs tors. theta energy: -2.077 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: 10, replica: 8 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -63.605153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.605153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.605153 (E_RNA) where: Base-Base interactions energy: -21.297 where: short stacking energy: -14.284 Base-Backbone interact. energy: -0.017 local terms energy: -42.291546 where: bonds (distance) C4'-P energy: -9.281 bonds (distance) P-C4' energy: -14.135 flat angles C4'-P-C4' energy: -11.116 flat angles P-C4'-P energy: -6.485 tors. eta vs tors. theta energy: -1.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -205.173908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.173908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.173908 (E_RNA) where: Base-Base interactions energy: -140.704 where: short stacking energy: -58.738 Base-Backbone interact. energy: -0.073 local terms energy: -64.397283 where: bonds (distance) C4'-P energy: -13.984 bonds (distance) P-C4' energy: -14.446 flat angles C4'-P-C4' energy: -12.585 flat angles P-C4'-P energy: -5.846 tors. eta vs tors. theta energy: -17.536 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: 6 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -200.631521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.631521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.631521 (E_RNA) where: Base-Base interactions energy: -138.023 where: short stacking energy: -61.908 Base-Backbone interact. energy: -0.003 local terms energy: -62.605713 where: bonds (distance) C4'-P energy: -11.425 bonds (distance) P-C4' energy: -11.258 flat angles C4'-P-C4' energy: -12.299 flat angles P-C4'-P energy: -9.097 tors. eta vs tors. theta energy: -18.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -196.659752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.659752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.659752 (E_RNA) where: Base-Base interactions energy: -132.989 where: short stacking energy: -60.466 Base-Backbone interact. energy: 0.408 local terms energy: -64.078387 where: bonds (distance) C4'-P energy: -10.813 bonds (distance) P-C4' energy: -14.300 flat angles C4'-P-C4' energy: -14.241 flat angles P-C4'-P energy: -10.192 tors. eta vs tors. theta energy: -14.532 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: 5 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -187.213964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.213964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.213964 (E_RNA) where: Base-Base interactions energy: -126.119 where: short stacking energy: -53.978 Base-Backbone interact. energy: -0.079 local terms energy: -61.015980 where: bonds (distance) C4'-P energy: -10.059 bonds (distance) P-C4' energy: -14.227 flat angles C4'-P-C4' energy: -13.463 flat angles P-C4'-P energy: -9.039 tors. eta vs tors. theta energy: -14.228 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: 4 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -191.558908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.558908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.558908 (E_RNA) where: Base-Base interactions energy: -123.918 where: short stacking energy: -55.267 Base-Backbone interact. energy: -0.003 local terms energy: -67.638161 where: bonds (distance) C4'-P energy: -14.153 bonds (distance) P-C4' energy: -12.597 flat angles C4'-P-C4' energy: -13.927 flat angles P-C4'-P energy: -8.473 tors. eta vs tors. theta energy: -18.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -182.929951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.929951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.929951 (E_RNA) where: Base-Base interactions energy: -122.690 where: short stacking energy: -52.882 Base-Backbone interact. energy: -0.049 local terms energy: -60.191156 where: bonds (distance) C4'-P energy: -10.758 bonds (distance) P-C4' energy: -12.855 flat angles C4'-P-C4' energy: -13.187 flat angles P-C4'-P energy: -6.810 tors. eta vs tors. theta energy: -16.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -188.684601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.684601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.684601 (E_RNA) where: Base-Base interactions energy: -132.750 where: short stacking energy: -53.468 Base-Backbone interact. energy: -0.364 local terms energy: -55.570931 where: bonds (distance) C4'-P energy: -14.434 bonds (distance) P-C4' energy: -10.260 flat angles C4'-P-C4' energy: -8.552 flat angles P-C4'-P energy: -5.315 tors. eta vs tors. theta energy: -17.009 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: 7 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -165.376643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.376643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.376643 (E_RNA) where: Base-Base interactions energy: -112.930 where: short stacking energy: -47.988 Base-Backbone interact. energy: -0.073 local terms energy: -52.373252 where: bonds (distance) C4'-P energy: -10.870 bonds (distance) P-C4' energy: -8.102 flat angles C4'-P-C4' energy: -9.638 flat angles P-C4'-P energy: -9.310 tors. eta vs tors. theta energy: -14.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -72.735669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.735669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.735669 (E_RNA) where: Base-Base interactions energy: -31.704 where: short stacking energy: -31.704 Base-Backbone interact. energy: -0.034 local terms energy: -40.997573 where: bonds (distance) C4'-P energy: -10.565 bonds (distance) P-C4' energy: -10.612 flat angles C4'-P-C4' energy: -9.247 flat angles P-C4'-P energy: -2.987 tors. eta vs tors. theta energy: -7.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -63.446691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.446691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.446691 (E_RNA) where: Base-Base interactions energy: -16.160 where: short stacking energy: -15.832 Base-Backbone interact. energy: -0.174 local terms energy: -47.112290 where: bonds (distance) C4'-P energy: -12.473 bonds (distance) P-C4' energy: -13.994 flat angles C4'-P-C4' energy: -12.001 flat angles P-C4'-P energy: -7.214 tors. eta vs tors. theta energy: -1.429 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: 6 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -203.698001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.698001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.698001 (E_RNA) where: Base-Base interactions energy: -140.659 where: short stacking energy: -57.669 Base-Backbone interact. energy: -0.001 local terms energy: -63.037160 where: bonds (distance) C4'-P energy: -12.308 bonds (distance) P-C4' energy: -13.061 flat angles C4'-P-C4' energy: -13.084 flat angles P-C4'-P energy: -7.935 tors. eta vs tors. theta energy: -16.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -197.705481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.705481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.705481 (E_RNA) where: Base-Base interactions energy: -133.619 where: short stacking energy: -53.414 Base-Backbone interact. energy: -0.110 local terms energy: -63.976747 where: bonds (distance) C4'-P energy: -12.878 bonds (distance) P-C4' energy: -12.722 flat angles C4'-P-C4' energy: -12.745 flat angles P-C4'-P energy: -8.404 tors. eta vs tors. theta energy: -17.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -186.037168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.037168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.037168 (E_RNA) where: Base-Base interactions energy: -132.642 where: short stacking energy: -48.175 Base-Backbone interact. energy: -0.101 local terms energy: -53.294128 where: bonds (distance) C4'-P energy: -12.394 bonds (distance) P-C4' energy: -11.869 flat angles C4'-P-C4' energy: -8.431 flat angles P-C4'-P energy: -8.539 tors. eta vs tors. theta energy: -12.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -196.137014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.137014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.137014 (E_RNA) where: Base-Base interactions energy: -138.896 where: short stacking energy: -59.753 Base-Backbone interact. energy: -0.004 local terms energy: -57.237489 where: bonds (distance) C4'-P energy: -10.890 bonds (distance) P-C4' energy: -13.226 flat angles C4'-P-C4' energy: -12.161 flat angles P-C4'-P energy: -3.998 tors. eta vs tors. theta energy: -16.962 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: 5, replica: 9 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -194.349458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.349458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.349458 (E_RNA) where: Base-Base interactions energy: -136.777 where: short stacking energy: -59.898 Base-Backbone interact. energy: -0.004 local terms energy: -57.567977 where: bonds (distance) C4'-P energy: -11.951 bonds (distance) P-C4' energy: -10.113 flat angles C4'-P-C4' energy: -12.980 flat angles P-C4'-P energy: -7.805 tors. eta vs tors. theta energy: -14.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -185.246548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.246548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.246548 (E_RNA) where: Base-Base interactions energy: -124.573 where: short stacking energy: -54.106 Base-Backbone interact. energy: -0.061 local terms energy: -60.613188 where: bonds (distance) C4'-P energy: -11.773 bonds (distance) P-C4' energy: -13.343 flat angles C4'-P-C4' energy: -11.893 flat angles P-C4'-P energy: -8.296 tors. eta vs tors. theta energy: -15.309 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: 7 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -167.769874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.769874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.769874 (E_RNA) where: Base-Base interactions energy: -113.562 where: short stacking energy: -41.706 Base-Backbone interact. energy: -0.730 local terms energy: -53.477303 where: bonds (distance) C4'-P energy: -10.995 bonds (distance) P-C4' energy: -10.576 flat angles C4'-P-C4' energy: -13.905 flat angles P-C4'-P energy: -8.231 tors. eta vs tors. theta energy: -9.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -175.808056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.808056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.808056 (E_RNA) where: Base-Base interactions energy: -126.179 where: short stacking energy: -52.241 Base-Backbone interact. energy: -0.008 local terms energy: -49.620974 where: bonds (distance) C4'-P energy: -9.926 bonds (distance) P-C4' energy: -12.419 flat angles C4'-P-C4' energy: -8.565 flat angles P-C4'-P energy: -3.890 tors. eta vs tors. theta energy: -14.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -81.769420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.769420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.769420 (E_RNA) where: Base-Base interactions energy: -35.665 where: short stacking energy: -19.428 Base-Backbone interact. energy: -0.042 local terms energy: -46.062243 where: bonds (distance) C4'-P energy: -12.969 bonds (distance) P-C4' energy: -10.861 flat angles C4'-P-C4' energy: -11.419 flat angles P-C4'-P energy: -10.323 tors. eta vs tors. theta energy: -0.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -77.385197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.385197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.385197 (E_RNA) where: Base-Base interactions energy: -37.495 where: short stacking energy: -17.049 Base-Backbone interact. energy: 0.109 local terms energy: -39.999846 where: bonds (distance) C4'-P energy: -12.571 bonds (distance) P-C4' energy: -11.423 flat angles C4'-P-C4' energy: -9.006 flat angles P-C4'-P energy: -7.516 tors. eta vs tors. theta energy: 0.517 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: 6 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -208.160880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.160880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.160880 (E_RNA) where: Base-Base interactions energy: -140.665 where: short stacking energy: -60.280 Base-Backbone interact. energy: -0.000 local terms energy: -67.495554 where: bonds (distance) C4'-P energy: -12.915 bonds (distance) P-C4' energy: -14.227 flat angles C4'-P-C4' energy: -13.201 flat angles P-C4'-P energy: -9.937 tors. eta vs tors. theta energy: -17.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -199.475256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.475256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.475256 (E_RNA) where: Base-Base interactions energy: -138.750 where: short stacking energy: -58.342 Base-Backbone interact. energy: -0.006 local terms energy: -60.719617 where: bonds (distance) C4'-P energy: -13.288 bonds (distance) P-C4' energy: -13.014 flat angles C4'-P-C4' energy: -13.592 flat angles P-C4'-P energy: -6.027 tors. eta vs tors. theta energy: -14.798 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: 5 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -183.839719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.839719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.839719 (E_RNA) where: Base-Base interactions energy: -132.194 where: short stacking energy: -48.034 Base-Backbone interact. energy: -0.125 local terms energy: -51.520898 where: bonds (distance) C4'-P energy: -10.080 bonds (distance) P-C4' energy: -11.446 flat angles C4'-P-C4' energy: -11.753 flat angles P-C4'-P energy: -7.925 tors. eta vs tors. theta energy: -10.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -196.331040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.331040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.331040 (E_RNA) where: Base-Base interactions energy: -137.586 where: short stacking energy: -59.759 Base-Backbone interact. energy: -0.002 local terms energy: -58.742772 where: bonds (distance) C4'-P energy: -9.519 bonds (distance) P-C4' energy: -11.234 flat angles C4'-P-C4' energy: -10.405 flat angles P-C4'-P energy: -9.733 tors. eta vs tors. theta energy: -17.851 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: 5, replica: 10 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -176.092595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.092595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.092595 (E_RNA) where: Base-Base interactions energy: -122.551 where: short stacking energy: -52.467 Base-Backbone interact. energy: 0.417 local terms energy: -53.958123 where: bonds (distance) C4'-P energy: -11.028 bonds (distance) P-C4' energy: -10.475 flat angles C4'-P-C4' energy: -11.980 flat angles P-C4'-P energy: -9.670 tors. eta vs tors. theta energy: -10.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -188.001120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.001120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.001120 (E_RNA) where: Base-Base interactions energy: -124.999 where: short stacking energy: -54.761 Base-Backbone interact. energy: -0.021 local terms energy: -62.980791 where: bonds (distance) C4'-P energy: -12.891 bonds (distance) P-C4' energy: -8.760 flat angles C4'-P-C4' energy: -15.028 flat angles P-C4'-P energy: -9.513 tors. eta vs tors. theta energy: -16.789 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: 7 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -163.716167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.716167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.716167 (E_RNA) where: Base-Base interactions energy: -109.808 where: short stacking energy: -45.498 Base-Backbone interact. energy: -0.004 local terms energy: -53.904757 where: bonds (distance) C4'-P energy: -11.483 bonds (distance) P-C4' energy: -13.213 flat angles C4'-P-C4' energy: -13.056 flat angles P-C4'-P energy: -4.268 tors. eta vs tors. theta energy: -11.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -180.953864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.953864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.953864 (E_RNA) where: Base-Base interactions energy: -123.430 where: short stacking energy: -49.301 Base-Backbone interact. energy: -0.418 local terms energy: -57.105326 where: bonds (distance) C4'-P energy: -10.804 bonds (distance) P-C4' energy: -12.198 flat angles C4'-P-C4' energy: -10.147 flat angles P-C4'-P energy: -9.019 tors. eta vs tors. theta energy: -14.937 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: 8 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -79.124098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.124098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.124098 (E_RNA) where: Base-Base interactions energy: -44.398 where: short stacking energy: -17.421 Base-Backbone interact. energy: -0.166 local terms energy: -34.559445 where: bonds (distance) C4'-P energy: -10.390 bonds (distance) P-C4' energy: -13.913 flat angles C4'-P-C4' energy: -5.500 flat angles P-C4'-P energy: -5.287 tors. eta vs tors. theta energy: 0.531 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: 10, replica: 3 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -73.039961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.039961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.039961 (E_RNA) where: Base-Base interactions energy: -31.319 where: short stacking energy: -20.474 Base-Backbone interact. energy: 1.516 local terms energy: -43.237290 where: bonds (distance) C4'-P energy: -13.694 bonds (distance) P-C4' energy: -13.479 flat angles C4'-P-C4' energy: -9.962 flat angles P-C4'-P energy: -6.010 tors. eta vs tors. theta energy: -0.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -194.407937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.407937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.407937 (E_RNA) where: Base-Base interactions energy: -134.938 where: short stacking energy: -54.051 Base-Backbone interact. energy: -0.007 local terms energy: -59.462879 where: bonds (distance) C4'-P energy: -11.917 bonds (distance) P-C4' energy: -12.709 flat angles C4'-P-C4' energy: -10.054 flat angles P-C4'-P energy: -10.963 tors. eta vs tors. theta energy: -13.820 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: 2 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -198.288299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.288299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.288299 (E_RNA) where: Base-Base interactions energy: -131.776 where: short stacking energy: -50.013 Base-Backbone interact. energy: -0.037 local terms energy: -66.475311 where: bonds (distance) C4'-P energy: -10.081 bonds (distance) P-C4' energy: -13.321 flat angles C4'-P-C4' energy: -15.143 flat angles P-C4'-P energy: -11.519 tors. eta vs tors. theta energy: -16.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -195.890152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.890152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.890152 (E_RNA) where: Base-Base interactions energy: -130.945 where: short stacking energy: -55.456 Base-Backbone interact. energy: -0.083 local terms energy: -64.863010 where: bonds (distance) C4'-P energy: -10.506 bonds (distance) P-C4' energy: -14.839 flat angles C4'-P-C4' energy: -11.538 flat angles P-C4'-P energy: -12.488 tors. eta vs tors. theta energy: -15.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -194.645904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.645904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.645904 (E_RNA) where: Base-Base interactions energy: -133.412 where: short stacking energy: -54.496 Base-Backbone interact. energy: -0.030 local terms energy: -61.203842 where: bonds (distance) C4'-P energy: -11.455 bonds (distance) P-C4' energy: -14.413 flat angles C4'-P-C4' energy: -13.060 flat angles P-C4'-P energy: -4.460 tors. eta vs tors. theta energy: -17.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -181.480530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.480530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.480530 (E_RNA) where: Base-Base interactions energy: -126.094 where: short stacking energy: -50.707 Base-Backbone interact. energy: -0.009 local terms energy: -55.377943 where: bonds (distance) C4'-P energy: -11.683 bonds (distance) P-C4' energy: -9.886 flat angles C4'-P-C4' energy: -11.979 flat angles P-C4'-P energy: -7.557 tors. eta vs tors. theta energy: -14.273 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: 6, replica: 10 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -169.326910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.326910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.326910 (E_RNA) where: Base-Base interactions energy: -119.307 where: short stacking energy: -51.977 Base-Backbone interact. energy: -0.066 local terms energy: -49.953312 where: bonds (distance) C4'-P energy: -8.398 bonds (distance) P-C4' energy: -11.570 flat angles C4'-P-C4' energy: -10.745 flat angles P-C4'-P energy: -6.491 tors. eta vs tors. theta energy: -12.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -164.827011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.827011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.827011 (E_RNA) where: Base-Base interactions energy: -106.462 where: short stacking energy: -41.540 Base-Backbone interact. energy: -0.002 local terms energy: -58.362840 where: bonds (distance) C4'-P energy: -10.895 bonds (distance) P-C4' energy: -11.570 flat angles C4'-P-C4' energy: -13.325 flat angles P-C4'-P energy: -8.282 tors. eta vs tors. theta energy: -14.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -166.013334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.013334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.013334 (E_RNA) where: Base-Base interactions energy: -115.094 where: short stacking energy: -48.120 Base-Backbone interact. energy: -0.925 local terms energy: -49.994394 where: bonds (distance) C4'-P energy: -9.616 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -9.666 flat angles P-C4'-P energy: -7.782 tors. eta vs tors. theta energy: -15.365 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: 9, replica: 3 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -77.696575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.696575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.696575 (E_RNA) where: Base-Base interactions energy: -32.282 where: short stacking energy: -32.282 Base-Backbone interact. energy: -0.006 local terms energy: -45.407968 where: bonds (distance) C4'-P energy: -9.926 bonds (distance) P-C4' energy: -10.704 flat angles C4'-P-C4' energy: -12.424 flat angles P-C4'-P energy: -5.598 tors. eta vs tors. theta energy: -6.756 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: 8 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -65.016523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.016523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.016523 (E_RNA) where: Base-Base interactions energy: -23.804 where: short stacking energy: -23.804 Base-Backbone interact. energy: -0.029 local terms energy: -41.183837 where: bonds (distance) C4'-P energy: -11.106 bonds (distance) P-C4' energy: -9.518 flat angles C4'-P-C4' energy: -10.219 flat angles P-C4'-P energy: -8.002 tors. eta vs tors. theta energy: -2.339 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: 6 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -205.538070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.538070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.538070 (E_RNA) where: Base-Base interactions energy: -140.297 where: short stacking energy: -62.060 Base-Backbone interact. energy: -0.005 local terms energy: -65.235699 where: bonds (distance) C4'-P energy: -13.574 bonds (distance) P-C4' energy: -9.922 flat angles C4'-P-C4' energy: -15.366 flat angles P-C4'-P energy: -11.112 tors. eta vs tors. theta energy: -15.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -199.332896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.332896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.332896 (E_RNA) where: Base-Base interactions energy: -133.317 where: short stacking energy: -57.727 Base-Backbone interact. energy: 0.051 local terms energy: -66.067129 where: bonds (distance) C4'-P energy: -13.611 bonds (distance) P-C4' energy: -12.419 flat angles C4'-P-C4' energy: -13.514 flat angles P-C4'-P energy: -10.103 tors. eta vs tors. theta energy: -16.421 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: 2 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -191.836082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.836082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.836082 (E_RNA) where: Base-Base interactions energy: -126.089 where: short stacking energy: -57.037 Base-Backbone interact. energy: -0.112 local terms energy: -65.635323 where: bonds (distance) C4'-P energy: -13.648 bonds (distance) P-C4' energy: -13.183 flat angles C4'-P-C4' energy: -14.603 flat angles P-C4'-P energy: -9.527 tors. eta vs tors. theta energy: -14.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -184.050950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.050950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.050950 (E_RNA) where: Base-Base interactions energy: -122.324 where: short stacking energy: -48.877 Base-Backbone interact. energy: -0.042 local terms energy: -61.684672 where: bonds (distance) C4'-P energy: -13.080 bonds (distance) P-C4' energy: -14.871 flat angles C4'-P-C4' energy: -9.005 flat angles P-C4'-P energy: -9.822 tors. eta vs tors. theta energy: -14.907 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: 4 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -196.228187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.228187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.228187 (E_RNA) where: Base-Base interactions energy: -139.092 where: short stacking energy: -61.755 Base-Backbone interact. energy: -0.003 local terms energy: -57.133339 where: bonds (distance) C4'-P energy: -8.610 bonds (distance) P-C4' energy: -13.246 flat angles C4'-P-C4' energy: -12.817 flat angles P-C4'-P energy: -5.604 tors. eta vs tors. theta energy: -16.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -167.949787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.949787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.949787 (E_RNA) where: Base-Base interactions energy: -113.278 where: short stacking energy: -49.076 Base-Backbone interact. energy: -0.042 local terms energy: -54.629195 where: bonds (distance) C4'-P energy: -10.563 bonds (distance) P-C4' energy: -14.864 flat angles C4'-P-C4' energy: -10.231 flat angles P-C4'-P energy: -8.406 tors. eta vs tors. theta energy: -10.566 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: 10 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -173.182664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.182664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.182664 (E_RNA) where: Base-Base interactions energy: -119.111 where: short stacking energy: -49.996 Base-Backbone interact. energy: -0.041 local terms energy: -54.029943 where: bonds (distance) C4'-P energy: -10.328 bonds (distance) P-C4' energy: -12.187 flat angles C4'-P-C4' energy: -12.389 flat angles P-C4'-P energy: -7.454 tors. eta vs tors. theta energy: -11.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -169.979173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.979173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.979173 (E_RNA) where: Base-Base interactions energy: -116.835 where: short stacking energy: -42.703 Base-Backbone interact. energy: -0.108 local terms energy: -53.036696 where: bonds (distance) C4'-P energy: -10.663 bonds (distance) P-C4' energy: -12.874 flat angles C4'-P-C4' energy: -13.405 flat angles P-C4'-P energy: -7.681 tors. eta vs tors. theta energy: -8.413 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: 3 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -63.211578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.211578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.211578 (E_RNA) where: Base-Base interactions energy: -20.710 where: short stacking energy: -18.350 Base-Backbone interact. energy: -0.043 local terms energy: -42.458251 where: bonds (distance) C4'-P energy: -11.392 bonds (distance) P-C4' energy: -12.962 flat angles C4'-P-C4' energy: -11.235 flat angles P-C4'-P energy: -5.493 tors. eta vs tors. theta energy: -1.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -68.013978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.013978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.013978 (E_RNA) where: Base-Base interactions energy: -26.117 where: short stacking energy: -17.614 Base-Backbone interact. energy: -0.410 local terms energy: -41.487098 where: bonds (distance) C4'-P energy: -8.150 bonds (distance) P-C4' energy: -11.051 flat angles C4'-P-C4' energy: -11.513 flat angles P-C4'-P energy: -8.587 tors. eta vs tors. theta energy: -2.186 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: 9 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -199.672357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.672357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.672357 (E_RNA) where: Base-Base interactions energy: -141.137 where: short stacking energy: -59.177 Base-Backbone interact. energy: -0.012 local terms energy: -58.523266 where: bonds (distance) C4'-P energy: -10.928 bonds (distance) P-C4' energy: -13.144 flat angles C4'-P-C4' energy: -10.454 flat angles P-C4'-P energy: -8.960 tors. eta vs tors. theta energy: -15.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -197.618196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.618196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.618196 (E_RNA) where: Base-Base interactions energy: -139.267 where: short stacking energy: -58.094 Base-Backbone interact. energy: -0.002 local terms energy: -58.348972 where: bonds (distance) C4'-P energy: -12.447 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -12.122 flat angles P-C4'-P energy: -7.222 tors. eta vs tors. theta energy: -17.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -199.000875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.000875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.000875 (E_RNA) where: Base-Base interactions energy: -139.004 where: short stacking energy: -55.882 Base-Backbone interact. energy: -1.055 local terms energy: -58.941832 where: bonds (distance) C4'-P energy: -11.267 bonds (distance) P-C4' energy: -11.557 flat angles C4'-P-C4' energy: -11.336 flat angles P-C4'-P energy: -9.449 tors. eta vs tors. theta energy: -15.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -199.235256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.235256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.235256 (E_RNA) where: Base-Base interactions energy: -137.763 where: short stacking energy: -58.235 Base-Backbone interact. energy: -0.000 local terms energy: -61.472076 where: bonds (distance) C4'-P energy: -11.541 bonds (distance) P-C4' energy: -15.594 flat angles C4'-P-C4' energy: -12.185 flat angles P-C4'-P energy: -6.634 tors. eta vs tors. theta energy: -15.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -170.341333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.341333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.341333 (E_RNA) where: Base-Base interactions energy: -115.715 where: short stacking energy: -41.972 Base-Backbone interact. energy: -0.085 local terms energy: -54.541835 where: bonds (distance) C4'-P energy: -11.330 bonds (distance) P-C4' energy: -15.333 flat angles C4'-P-C4' energy: -10.025 flat angles P-C4'-P energy: -6.622 tors. eta vs tors. theta energy: -11.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -183.960056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.960056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.960056 (E_RNA) where: Base-Base interactions energy: -128.597 where: short stacking energy: -51.906 Base-Backbone interact. energy: -0.004 local terms energy: -55.358301 where: bonds (distance) C4'-P energy: -11.114 bonds (distance) P-C4' energy: -9.643 flat angles C4'-P-C4' energy: -12.055 flat angles P-C4'-P energy: -9.189 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: 7, replica: 7 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -172.970497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.970497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.970497 (E_RNA) where: Base-Base interactions energy: -113.257 where: short stacking energy: -45.983 Base-Backbone interact. energy: -0.022 local terms energy: -59.691831 where: bonds (distance) C4'-P energy: -13.292 bonds (distance) P-C4' energy: -14.212 flat angles C4'-P-C4' energy: -12.095 flat angles P-C4'-P energy: -7.087 tors. eta vs tors. theta energy: -13.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -173.158457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.158457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.158457 (E_RNA) where: Base-Base interactions energy: -122.660 where: short stacking energy: -52.754 Base-Backbone interact. energy: -0.017 local terms energy: -50.482021 where: bonds (distance) C4'-P energy: -9.546 bonds (distance) P-C4' energy: -12.236 flat angles C4'-P-C4' energy: -12.241 flat angles P-C4'-P energy: -6.339 tors. eta vs tors. theta energy: -10.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -68.374213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.374213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.374213 (E_RNA) where: Base-Base interactions energy: -30.322 where: short stacking energy: -25.385 Base-Backbone interact. energy: -0.197 local terms energy: -37.855508 where: bonds (distance) C4'-P energy: -8.920 bonds (distance) P-C4' energy: -10.361 flat angles C4'-P-C4' energy: -11.533 flat angles P-C4'-P energy: -6.187 tors. eta vs tors. theta energy: -0.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -76.127164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.127164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.127164 (E_RNA) where: Base-Base interactions energy: -34.680 where: short stacking energy: -24.225 Base-Backbone interact. energy: -0.131 local terms energy: -41.316837 where: bonds (distance) C4'-P energy: -11.037 bonds (distance) P-C4' energy: -13.680 flat angles C4'-P-C4' energy: -10.011 flat angles P-C4'-P energy: -6.765 tors. eta vs tors. theta energy: 0.177 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: 9 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -200.717676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.717676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.717676 (E_RNA) where: Base-Base interactions energy: -140.931 where: short stacking energy: -60.496 Base-Backbone interact. energy: -0.241 local terms energy: -59.545597 where: bonds (distance) C4'-P energy: -12.911 bonds (distance) P-C4' energy: -12.880 flat angles C4'-P-C4' energy: -11.239 flat angles P-C4'-P energy: -4.795 tors. eta vs tors. theta energy: -17.721 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: 445 Temperature: 0.950000 Total energy: -200.032812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.032812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.032812 (E_RNA) where: Base-Base interactions energy: -138.583 where: short stacking energy: -59.271 Base-Backbone interact. energy: -0.003 local terms energy: -61.447204 where: bonds (distance) C4'-P energy: -12.377 bonds (distance) P-C4' energy: -10.647 flat angles C4'-P-C4' energy: -15.465 flat angles P-C4'-P energy: -6.778 tors. eta vs tors. theta energy: -16.180 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: 6 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -196.498397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.498397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.498397 (E_RNA) where: Base-Base interactions energy: -137.271 where: short stacking energy: -59.178 Base-Backbone interact. energy: -0.122 local terms energy: -59.104861 where: bonds (distance) C4'-P energy: -12.170 bonds (distance) P-C4' energy: -10.311 flat angles C4'-P-C4' energy: -12.214 flat angles P-C4'-P energy: -9.218 tors. eta vs tors. theta energy: -15.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -176.428572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.428572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.428572 (E_RNA) where: Base-Base interactions energy: -121.448 where: short stacking energy: -50.601 Base-Backbone interact. energy: -0.004 local terms energy: -54.976053 where: bonds (distance) C4'-P energy: -11.997 bonds (distance) P-C4' energy: -10.654 flat angles C4'-P-C4' energy: -11.959 flat angles P-C4'-P energy: -8.200 tors. eta vs tors. theta energy: -12.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -187.294198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.294198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.294198 (E_RNA) where: Base-Base interactions energy: -129.738 where: short stacking energy: -53.411 Base-Backbone interact. energy: -0.611 local terms energy: -56.945076 where: bonds (distance) C4'-P energy: -10.501 bonds (distance) P-C4' energy: -10.892 flat angles C4'-P-C4' energy: -11.208 flat angles P-C4'-P energy: -8.405 tors. eta vs tors. theta energy: -15.939 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: 6, replica: 7 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -185.116614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.116614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.116614 (E_RNA) where: Base-Base interactions energy: -126.953 where: short stacking energy: -52.657 Base-Backbone interact. energy: -0.013 local terms energy: -58.150943 where: bonds (distance) C4'-P energy: -13.843 bonds (distance) P-C4' energy: -10.116 flat angles C4'-P-C4' energy: -13.810 flat angles P-C4'-P energy: -10.372 tors. eta vs tors. theta energy: -10.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -171.443889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.443889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.443889 (E_RNA) where: Base-Base interactions energy: -118.633 where: short stacking energy: -45.235 Base-Backbone interact. energy: -1.258 local terms energy: -51.553547 where: bonds (distance) C4'-P energy: -11.335 bonds (distance) P-C4' energy: -11.006 flat angles C4'-P-C4' energy: -11.126 flat angles P-C4'-P energy: -4.777 tors. eta vs tors. theta energy: -13.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -179.899645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.899645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.899645 (E_RNA) where: Base-Base interactions energy: -125.371 where: short stacking energy: -52.488 Base-Backbone interact. energy: -0.008 local terms energy: -54.521031 where: bonds (distance) C4'-P energy: -9.931 bonds (distance) P-C4' energy: -9.000 flat angles C4'-P-C4' energy: -12.992 flat angles P-C4'-P energy: -9.221 tors. eta vs tors. theta energy: -13.377 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: 8 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -74.293040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.293040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.293040 (E_RNA) where: Base-Base interactions energy: -34.400 where: short stacking energy: -30.595 Base-Backbone interact. energy: -0.344 local terms energy: -39.548962 where: bonds (distance) C4'-P energy: -9.048 bonds (distance) P-C4' energy: -9.574 flat angles C4'-P-C4' energy: -10.993 flat angles P-C4'-P energy: -5.922 tors. eta vs tors. theta energy: -4.010 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: 10, replica: 3 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -77.186189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.186189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.186189 (E_RNA) where: Base-Base interactions energy: -24.342 where: short stacking energy: -24.342 Base-Backbone interact. energy: -0.158 local terms energy: -52.686904 where: bonds (distance) C4'-P energy: -13.300 bonds (distance) P-C4' energy: -13.466 flat angles C4'-P-C4' energy: -12.162 flat angles P-C4'-P energy: -9.649 tors. eta vs tors. theta energy: -4.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -205.122276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.122276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.122276 (E_RNA) where: Base-Base interactions energy: -138.845 where: short stacking energy: -60.051 Base-Backbone interact. energy: -0.053 local terms energy: -66.224006 where: bonds (distance) C4'-P energy: -14.153 bonds (distance) P-C4' energy: -11.808 flat angles C4'-P-C4' energy: -13.430 flat angles P-C4'-P energy: -8.111 tors. eta vs tors. theta energy: -18.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -203.589577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.589577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.589577 (E_RNA) where: Base-Base interactions energy: -139.673 where: short stacking energy: -60.523 Base-Backbone interact. energy: 0.026 local terms energy: -63.942591 where: bonds (distance) C4'-P energy: -13.400 bonds (distance) P-C4' energy: -12.673 flat angles C4'-P-C4' energy: -13.674 flat angles P-C4'-P energy: -8.476 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: 3, replica: 6 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -203.930298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.930298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.930298 (E_RNA) where: Base-Base interactions energy: -141.907 where: short stacking energy: -62.677 Base-Backbone interact. energy: -0.038 local terms energy: -61.985844 where: bonds (distance) C4'-P energy: -12.432 bonds (distance) P-C4' energy: -13.147 flat angles C4'-P-C4' energy: -12.441 flat angles P-C4'-P energy: -6.736 tors. eta vs tors. theta energy: -17.230 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: 1 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -179.163729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.163729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.163729 (E_RNA) where: Base-Base interactions energy: -116.012 where: short stacking energy: -46.689 Base-Backbone interact. energy: -0.090 local terms energy: -63.061983 where: bonds (distance) C4'-P energy: -13.301 bonds (distance) P-C4' energy: -14.067 flat angles C4'-P-C4' energy: -12.841 flat angles P-C4'-P energy: -10.057 tors. eta vs tors. theta energy: -12.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -189.739061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.739061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.739061 (E_RNA) where: Base-Base interactions energy: -124.635 where: short stacking energy: -53.954 Base-Backbone interact. energy: -1.053 local terms energy: -64.051360 where: bonds (distance) C4'-P energy: -13.744 bonds (distance) P-C4' energy: -12.676 flat angles C4'-P-C4' energy: -11.638 flat angles P-C4'-P energy: -10.454 tors. eta vs tors. theta energy: -15.540 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: 2 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -182.414021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.414021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.414021 (E_RNA) where: Base-Base interactions energy: -129.943 where: short stacking energy: -55.606 Base-Backbone interact. energy: -0.063 local terms energy: -52.408523 where: bonds (distance) C4'-P energy: -6.217 bonds (distance) P-C4' energy: -10.982 flat angles C4'-P-C4' energy: -11.280 flat angles P-C4'-P energy: -10.018 tors. eta vs tors. theta energy: -13.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -174.989654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.989654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.989654 (E_RNA) where: Base-Base interactions energy: -121.604 where: short stacking energy: -38.832 Base-Backbone interact. energy: -0.024 local terms energy: -53.362064 where: bonds (distance) C4'-P energy: -10.696 bonds (distance) P-C4' energy: -12.036 flat angles C4'-P-C4' energy: -12.205 flat angles P-C4'-P energy: -9.025 tors. eta vs tors. theta energy: -9.401 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: 10 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -165.963001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.963001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.963001 (E_RNA) where: Base-Base interactions energy: -111.913 where: short stacking energy: -44.416 Base-Backbone interact. energy: -0.094 local terms energy: -53.955924 where: bonds (distance) C4'-P energy: -11.785 bonds (distance) P-C4' energy: -12.182 flat angles C4'-P-C4' energy: -12.359 flat angles P-C4'-P energy: -7.416 tors. eta vs tors. theta energy: -10.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -67.863375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.863375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.863375 (E_RNA) where: Base-Base interactions energy: -25.490 where: short stacking energy: -22.946 Base-Backbone interact. energy: -0.072 local terms energy: -42.301723 where: bonds (distance) C4'-P energy: -11.463 bonds (distance) P-C4' energy: -10.768 flat angles C4'-P-C4' energy: -7.562 flat angles P-C4'-P energy: -6.719 tors. eta vs tors. theta energy: -5.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -67.900003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.900003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.900003 (E_RNA) where: Base-Base interactions energy: -27.978 where: short stacking energy: -21.037 Base-Backbone interact. energy: -0.391 local terms energy: -39.530709 where: bonds (distance) C4'-P energy: -11.665 bonds (distance) P-C4' energy: -12.039 flat angles C4'-P-C4' energy: -11.067 flat angles P-C4'-P energy: -5.842 tors. eta vs tors. theta energy: 1.083 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: 1, replica: 5 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -206.466870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.466870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.466870 (E_RNA) where: Base-Base interactions energy: -138.212 where: short stacking energy: -60.861 Base-Backbone interact. energy: -0.002 local terms energy: -68.253829 where: bonds (distance) C4'-P energy: -14.840 bonds (distance) P-C4' energy: -14.683 flat angles C4'-P-C4' energy: -13.782 flat angles P-C4'-P energy: -9.372 tors. eta vs tors. theta energy: -15.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -195.713359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.713359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.713359 (E_RNA) where: Base-Base interactions energy: -133.606 where: short stacking energy: -53.106 Base-Backbone interact. energy: -0.071 local terms energy: -62.035505 where: bonds (distance) C4'-P energy: -11.505 bonds (distance) P-C4' energy: -12.141 flat angles C4'-P-C4' energy: -13.204 flat angles P-C4'-P energy: -6.863 tors. eta vs tors. theta energy: -18.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -190.033920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.033920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.033920 (E_RNA) where: Base-Base interactions energy: -128.912 where: short stacking energy: -47.806 Base-Backbone interact. energy: -0.231 local terms energy: -60.890998 where: bonds (distance) C4'-P energy: -13.230 bonds (distance) P-C4' energy: -12.187 flat angles C4'-P-C4' energy: -11.648 flat angles P-C4'-P energy: -11.471 tors. eta vs tors. theta energy: -12.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -188.929814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.929814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.929814 (E_RNA) where: Base-Base interactions energy: -129.734 where: short stacking energy: -58.099 Base-Backbone interact. energy: -0.172 local terms energy: -59.023786 where: bonds (distance) C4'-P energy: -10.832 bonds (distance) P-C4' energy: -12.258 flat angles C4'-P-C4' energy: -13.624 flat angles P-C4'-P energy: -8.451 tors. eta vs tors. theta energy: -13.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -185.490269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.490269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.490269 (E_RNA) where: Base-Base interactions energy: -130.515 where: short stacking energy: -51.367 Base-Backbone interact. energy: -0.219 local terms energy: -54.756839 where: bonds (distance) C4'-P energy: -10.485 bonds (distance) P-C4' energy: -11.690 flat angles C4'-P-C4' energy: -12.765 flat angles P-C4'-P energy: -5.450 tors. eta vs tors. theta energy: -14.367 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: 4 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -184.460718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.460718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.460718 (E_RNA) where: Base-Base interactions energy: -129.454 where: short stacking energy: -53.313 Base-Backbone interact. energy: -0.008 local terms energy: -54.998208 where: bonds (distance) C4'-P energy: -8.755 bonds (distance) P-C4' energy: -11.865 flat angles C4'-P-C4' energy: -13.782 flat angles P-C4'-P energy: -7.589 tors. eta vs tors. theta energy: -13.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -171.729202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.729202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.729202 (E_RNA) where: Base-Base interactions energy: -120.975 where: short stacking energy: -57.738 Base-Backbone interact. energy: -0.000 local terms energy: -50.753844 where: bonds (distance) C4'-P energy: -4.544 bonds (distance) P-C4' energy: -9.564 flat angles C4'-P-C4' energy: -10.369 flat angles P-C4'-P energy: -11.413 tors. eta vs tors. theta energy: -14.865 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: 10 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -169.540093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.540093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.540093 (E_RNA) where: Base-Base interactions energy: -109.334 where: short stacking energy: -47.322 Base-Backbone interact. energy: -0.280 local terms energy: -59.925936 where: bonds (distance) C4'-P energy: -11.090 bonds (distance) P-C4' energy: -12.091 flat angles C4'-P-C4' energy: -14.184 flat angles P-C4'-P energy: -9.455 tors. eta vs tors. theta energy: -13.105 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: 9, replica: 3 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -66.310142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.310142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.310142 (E_RNA) where: Base-Base interactions energy: -19.967 where: short stacking energy: -19.967 Base-Backbone interact. energy: -0.033 local terms energy: -46.310657 where: bonds (distance) C4'-P energy: -9.147 bonds (distance) P-C4' energy: -10.639 flat angles C4'-P-C4' energy: -11.134 flat angles P-C4'-P energy: -10.375 tors. eta vs tors. theta energy: -5.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -86.135629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.135629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.135629 (E_RNA) where: Base-Base interactions energy: -44.648 where: short stacking energy: -28.941 Base-Backbone interact. energy: -0.304 local terms energy: -41.183289 where: bonds (distance) C4'-P energy: -8.854 bonds (distance) P-C4' energy: -11.439 flat angles C4'-P-C4' energy: -7.531 flat angles P-C4'-P energy: -8.867 tors. eta vs tors. theta energy: -4.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -202.058756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.058756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.058756 (E_RNA) where: Base-Base interactions energy: -139.372 where: short stacking energy: -58.498 Base-Backbone interact. energy: 1.185 local terms energy: -63.872130 where: bonds (distance) C4'-P energy: -11.339 bonds (distance) P-C4' energy: -15.100 flat angles C4'-P-C4' energy: -13.924 flat angles P-C4'-P energy: -9.038 tors. eta vs tors. theta energy: -14.470 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: 5 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -203.595874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.595874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.595874 (E_RNA) where: Base-Base interactions energy: -142.750 where: short stacking energy: -60.138 Base-Backbone interact. energy: 0.865 local terms energy: -61.710948 where: bonds (distance) C4'-P energy: -9.545 bonds (distance) P-C4' energy: -11.176 flat angles C4'-P-C4' energy: -13.249 flat angles P-C4'-P energy: -10.431 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: 3, replica: 9 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -198.041739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.041739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.041739 (E_RNA) where: Base-Base interactions energy: -137.724 where: short stacking energy: -59.432 Base-Backbone interact. energy: -0.126 local terms energy: -60.191552 where: bonds (distance) C4'-P energy: -11.480 bonds (distance) P-C4' energy: -11.931 flat angles C4'-P-C4' energy: -14.086 flat angles P-C4'-P energy: -6.895 tors. eta vs tors. theta energy: -15.800 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: 7 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -179.354530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.354530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.354530 (E_RNA) where: Base-Base interactions energy: -121.312 where: short stacking energy: -52.680 Base-Backbone interact. energy: -0.084 local terms energy: -57.958913 where: bonds (distance) C4'-P energy: -12.162 bonds (distance) P-C4' energy: -13.874 flat angles C4'-P-C4' energy: -13.583 flat angles P-C4'-P energy: -5.390 tors. eta vs tors. theta energy: -12.949 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: 4 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -177.846128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.846128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.846128 (E_RNA) where: Base-Base interactions energy: -124.726 where: short stacking energy: -50.017 Base-Backbone interact. energy: -0.004 local terms energy: -53.116637 where: bonds (distance) C4'-P energy: -8.474 bonds (distance) P-C4' energy: -13.121 flat angles C4'-P-C4' energy: -7.271 flat angles P-C4'-P energy: -8.311 tors. eta vs tors. theta energy: -15.939 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: 6, replica: 1 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -182.906368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.906368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.906368 (E_RNA) where: Base-Base interactions energy: -125.346 where: short stacking energy: -52.874 Base-Backbone interact. energy: 0.810 local terms energy: -58.370052 where: bonds (distance) C4'-P energy: -11.657 bonds (distance) P-C4' energy: -13.426 flat angles C4'-P-C4' energy: -11.730 flat angles P-C4'-P energy: -7.309 tors. eta vs tors. theta energy: -14.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -169.429652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.429652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.429652 (E_RNA) where: Base-Base interactions energy: -115.534 where: short stacking energy: -50.421 Base-Backbone interact. energy: -0.011 local terms energy: -53.885379 where: bonds (distance) C4'-P energy: -12.704 bonds (distance) P-C4' energy: -13.504 flat angles C4'-P-C4' energy: -13.729 flat angles P-C4'-P energy: -1.444 tors. eta vs tors. theta energy: -12.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -166.741132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.741132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.741132 (E_RNA) where: Base-Base interactions energy: -108.305 where: short stacking energy: -43.181 Base-Backbone interact. energy: -0.438 local terms energy: -57.998803 where: bonds (distance) C4'-P energy: -11.719 bonds (distance) P-C4' energy: -15.108 flat angles C4'-P-C4' energy: -11.608 flat angles P-C4'-P energy: -8.575 tors. eta vs tors. theta energy: -10.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -65.456649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.456649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.456649 (E_RNA) where: Base-Base interactions energy: -18.147 where: short stacking energy: -16.178 Base-Backbone interact. energy: -0.135 local terms energy: -47.174614 where: bonds (distance) C4'-P energy: -9.955 bonds (distance) P-C4' energy: -14.220 flat angles C4'-P-C4' energy: -10.681 flat angles P-C4'-P energy: -8.229 tors. eta vs tors. theta energy: -4.090 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: 3 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -64.795490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.795490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.795490 (E_RNA) where: Base-Base interactions energy: -17.810 where: short stacking energy: -17.810 Base-Backbone interact. energy: -0.213 local terms energy: -46.772744 where: bonds (distance) C4'-P energy: -11.525 bonds (distance) P-C4' energy: -13.060 flat angles C4'-P-C4' energy: -9.777 flat angles P-C4'-P energy: -6.525 tors. eta vs tors. theta energy: -5.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -202.796489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.796489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.796489 (E_RNA) where: Base-Base interactions energy: -142.669 where: short stacking energy: -61.190 Base-Backbone interact. energy: -0.038 local terms energy: -60.088629 where: bonds (distance) C4'-P energy: -14.265 bonds (distance) P-C4' energy: -10.868 flat angles C4'-P-C4' energy: -12.538 flat angles P-C4'-P energy: -8.379 tors. eta vs tors. theta energy: -14.038 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: 5 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -195.629222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.629222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.629222 (E_RNA) where: Base-Base interactions energy: -138.149 where: short stacking energy: -56.451 Base-Backbone interact. energy: 2.602 local terms energy: -60.082597 where: bonds (distance) C4'-P energy: -9.460 bonds (distance) P-C4' energy: -11.656 flat angles C4'-P-C4' energy: -13.579 flat angles P-C4'-P energy: -10.914 tors. eta vs tors. theta energy: -14.474 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: 9 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -191.968911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.968911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.968911 (E_RNA) where: Base-Base interactions energy: -132.007 where: short stacking energy: -49.670 Base-Backbone interact. energy: 1.000 local terms energy: -60.961328 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -14.553 flat angles C4'-P-C4' energy: -14.717 flat angles P-C4'-P energy: -10.828 tors. eta vs tors. theta energy: -12.522 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: 4 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -182.866171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.866171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.866171 (E_RNA) where: Base-Base interactions energy: -118.030 where: short stacking energy: -56.299 Base-Backbone interact. energy: -0.073 local terms energy: -64.763625 where: bonds (distance) C4'-P energy: -13.434 bonds (distance) P-C4' energy: -12.614 flat angles C4'-P-C4' energy: -14.229 flat angles P-C4'-P energy: -8.927 tors. eta vs tors. theta energy: -15.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -193.131760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.131760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.131760 (E_RNA) where: Base-Base interactions energy: -133.353 where: short stacking energy: -57.367 Base-Backbone interact. energy: -0.001 local terms energy: -59.777061 where: bonds (distance) C4'-P energy: -11.624 bonds (distance) P-C4' energy: -11.166 flat angles C4'-P-C4' energy: -10.982 flat angles P-C4'-P energy: -10.389 tors. eta vs tors. theta energy: -15.616 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: 449 Temperature: 1.150000 Total energy: -185.033518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.033518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.033518 (E_RNA) where: Base-Base interactions energy: -127.498 where: short stacking energy: -50.942 Base-Backbone interact. energy: -0.041 local terms energy: -57.494597 where: bonds (distance) C4'-P energy: -12.580 bonds (distance) P-C4' energy: -13.781 flat angles C4'-P-C4' energy: -11.329 flat angles P-C4'-P energy: -4.280 tors. eta vs tors. theta energy: -15.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -165.532226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.532226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.532226 (E_RNA) where: Base-Base interactions energy: -118.024 where: short stacking energy: -45.481 Base-Backbone interact. energy: -0.042 local terms energy: -47.466402 where: bonds (distance) C4'-P energy: -9.350 bonds (distance) P-C4' energy: -10.585 flat angles C4'-P-C4' energy: -10.440 flat angles P-C4'-P energy: -9.616 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: 8, replica: 10 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -168.244002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.244002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.244002 (E_RNA) where: Base-Base interactions energy: -122.495 where: short stacking energy: -47.398 Base-Backbone interact. energy: 0.102 local terms energy: -45.850796 where: bonds (distance) C4'-P energy: -4.389 bonds (distance) P-C4' energy: -13.663 flat angles C4'-P-C4' energy: -7.244 flat angles P-C4'-P energy: -5.338 tors. eta vs tors. theta energy: -15.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -67.474204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.474204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.474204 (E_RNA) where: Base-Base interactions energy: -26.565 where: short stacking energy: -26.565 Base-Backbone interact. energy: -0.108 local terms energy: -40.801852 where: bonds (distance) C4'-P energy: -12.841 bonds (distance) P-C4' energy: -10.833 flat angles C4'-P-C4' energy: -7.488 flat angles P-C4'-P energy: -7.682 tors. eta vs tors. theta energy: -1.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -57.177031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.177031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.177031 (E_RNA) where: Base-Base interactions energy: -18.237 where: short stacking energy: -18.237 Base-Backbone interact. energy: -0.276 local terms energy: -38.664557 where: bonds (distance) C4'-P energy: -9.198 bonds (distance) P-C4' energy: -14.635 flat angles C4'-P-C4' energy: -8.741 flat angles P-C4'-P energy: -8.337 tors. eta vs tors. theta energy: 2.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -206.004230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.004230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.004230 (E_RNA) where: Base-Base interactions energy: -138.794 where: short stacking energy: -58.241 Base-Backbone interact. energy: -0.089 local terms energy: -67.121271 where: bonds (distance) C4'-P energy: -13.524 bonds (distance) P-C4' energy: -14.624 flat angles C4'-P-C4' energy: -14.434 flat angles P-C4'-P energy: -8.007 tors. eta vs tors. theta energy: -16.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -201.002994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.002994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.002994 (E_RNA) where: Base-Base interactions energy: -144.107 where: short stacking energy: -61.581 Base-Backbone interact. energy: -0.003 local terms energy: -56.893336 where: bonds (distance) C4'-P energy: -8.841 bonds (distance) P-C4' energy: -11.358 flat angles C4'-P-C4' energy: -12.917 flat angles P-C4'-P energy: -9.710 tors. eta vs tors. theta energy: -14.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -193.621303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.621303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.621303 (E_RNA) where: Base-Base interactions energy: -138.301 where: short stacking energy: -57.248 Base-Backbone interact. energy: 0.016 local terms energy: -55.336471 where: bonds (distance) C4'-P energy: -8.934 bonds (distance) P-C4' energy: -10.268 flat angles C4'-P-C4' energy: -8.979 flat angles P-C4'-P energy: -10.994 tors. eta vs tors. theta energy: -16.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -194.622725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.622725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.622725 (E_RNA) where: Base-Base interactions energy: -137.750 where: short stacking energy: -58.735 Base-Backbone interact. energy: -0.485 local terms energy: -56.387533 where: bonds (distance) C4'-P energy: -10.978 bonds (distance) P-C4' energy: -8.135 flat angles C4'-P-C4' energy: -11.205 flat angles P-C4'-P energy: -8.028 tors. eta vs tors. theta energy: -18.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -184.052565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.052565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.052565 (E_RNA) where: Base-Base interactions energy: -123.426 where: short stacking energy: -45.026 Base-Backbone interact. energy: -0.000 local terms energy: -60.626086 where: bonds (distance) C4'-P energy: -11.918 bonds (distance) P-C4' energy: -13.497 flat angles C4'-P-C4' energy: -12.889 flat angles P-C4'-P energy: -6.743 tors. eta vs tors. theta energy: -15.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -195.810594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.810594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.810594 (E_RNA) where: Base-Base interactions energy: -141.242 where: short stacking energy: -57.086 Base-Backbone interact. energy: -0.013 local terms energy: -54.555150 where: bonds (distance) C4'-P energy: -8.171 bonds (distance) P-C4' energy: -10.965 flat angles C4'-P-C4' energy: -12.627 flat angles P-C4'-P energy: -7.450 tors. eta vs tors. theta energy: -15.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -172.172592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.172592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.172592 (E_RNA) where: Base-Base interactions energy: -122.772 where: short stacking energy: -46.041 Base-Backbone interact. energy: -0.162 local terms energy: -49.238736 where: bonds (distance) C4'-P energy: -10.475 bonds (distance) P-C4' energy: -10.551 flat angles C4'-P-C4' energy: -10.973 flat angles P-C4'-P energy: -6.720 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: 8, replica: 2 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -167.670715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.670715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.670715 (E_RNA) where: Base-Base interactions energy: -116.609 where: short stacking energy: -51.151 Base-Backbone interact. energy: 0.212 local terms energy: -51.273599 where: bonds (distance) C4'-P energy: -9.132 bonds (distance) P-C4' energy: -9.198 flat angles C4'-P-C4' energy: -12.365 flat angles P-C4'-P energy: -7.487 tors. eta vs tors. theta energy: -13.091 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: 3 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -82.629923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.629923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.629923 (E_RNA) where: Base-Base interactions energy: -43.230 where: short stacking energy: -18.417 Base-Backbone interact. energy: -0.225 local terms energy: -39.175454 where: bonds (distance) C4'-P energy: -12.563 bonds (distance) P-C4' energy: -9.184 flat angles C4'-P-C4' energy: -8.089 flat angles P-C4'-P energy: -6.635 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: 8 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -67.342213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.342213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.342213 (E_RNA) where: Base-Base interactions energy: -20.831 where: short stacking energy: -15.957 Base-Backbone interact. energy: -1.134 local terms energy: -45.377238 where: bonds (distance) C4'-P energy: -12.911 bonds (distance) P-C4' energy: -11.363 flat angles C4'-P-C4' energy: -14.227 flat angles P-C4'-P energy: -7.113 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: 1, replica: 5 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -202.992910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.992910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.992910 (E_RNA) where: Base-Base interactions energy: -144.248 where: short stacking energy: -60.937 Base-Backbone interact. energy: -0.003 local terms energy: -58.742396 where: bonds (distance) C4'-P energy: -11.252 bonds (distance) P-C4' energy: -13.052 flat angles C4'-P-C4' energy: -12.558 flat angles P-C4'-P energy: -5.429 tors. eta vs tors. theta energy: -16.452 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: 6 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -194.699001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.699001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.699001 (E_RNA) where: Base-Base interactions energy: -144.329 where: short stacking energy: -52.300 Base-Backbone interact. energy: -0.004 local terms energy: -50.365881 where: bonds (distance) C4'-P energy: -7.164 bonds (distance) P-C4' energy: -11.890 flat angles C4'-P-C4' energy: -13.195 flat angles P-C4'-P energy: -4.800 tors. eta vs tors. theta energy: -13.317 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: 4 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -201.464044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.464044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.464044 (E_RNA) where: Base-Base interactions energy: -143.365 where: short stacking energy: -62.426 Base-Backbone interact. energy: -0.000 local terms energy: -58.099187 where: bonds (distance) C4'-P energy: -11.375 bonds (distance) P-C4' energy: -13.128 flat angles C4'-P-C4' energy: -11.810 flat angles P-C4'-P energy: -6.653 tors. eta vs tors. theta energy: -15.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -182.012449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.012449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.012449 (E_RNA) where: Base-Base interactions energy: -130.589 where: short stacking energy: -54.976 Base-Backbone interact. energy: 0.310 local terms energy: -51.733073 where: bonds (distance) C4'-P energy: -5.596 bonds (distance) P-C4' energy: -14.060 flat angles C4'-P-C4' energy: -12.951 flat angles P-C4'-P energy: -6.402 tors. eta vs tors. theta energy: -12.723 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: 1 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -184.033225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.033225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.033225 (E_RNA) where: Base-Base interactions energy: -132.176 where: short stacking energy: -54.014 Base-Backbone interact. energy: -0.030 local terms energy: -51.827326 where: bonds (distance) C4'-P energy: -9.951 bonds (distance) P-C4' energy: -9.752 flat angles C4'-P-C4' energy: -12.807 flat angles P-C4'-P energy: -4.273 tors. eta vs tors. theta energy: -15.043 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: 6, replica: 10 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -187.040554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.040554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.040554 (E_RNA) where: Base-Base interactions energy: -128.488 where: short stacking energy: -56.334 Base-Backbone interact. energy: -0.009 local terms energy: -58.543596 where: bonds (distance) C4'-P energy: -12.493 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -11.703 flat angles P-C4'-P energy: -9.431 tors. eta vs tors. theta energy: -16.959 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: 451 Temperature: 1.200000 Total energy: -182.458900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.458900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.458900 (E_RNA) where: Base-Base interactions energy: -126.011 where: short stacking energy: -50.162 Base-Backbone interact. energy: -0.047 local terms energy: -56.400541 where: bonds (distance) C4'-P energy: -11.351 bonds (distance) P-C4' energy: -9.397 flat angles C4'-P-C4' energy: -10.783 flat angles P-C4'-P energy: -8.148 tors. eta vs tors. theta energy: -16.722 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: 8, replica: 2 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -171.168575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.168575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.168575 (E_RNA) where: Base-Base interactions energy: -112.621 where: short stacking energy: -48.181 Base-Backbone interact. energy: -0.046 local terms energy: -58.501732 where: bonds (distance) C4'-P energy: -13.353 bonds (distance) P-C4' energy: -13.690 flat angles C4'-P-C4' energy: -11.834 flat angles P-C4'-P energy: -5.276 tors. eta vs tors. theta energy: -14.349 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: 9, replica: 3 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -64.310538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.310538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.310538 (E_RNA) where: Base-Base interactions energy: -24.142 where: short stacking energy: -23.211 Base-Backbone interact. energy: -0.106 local terms energy: -40.061911 where: bonds (distance) C4'-P energy: -11.740 bonds (distance) P-C4' energy: -11.941 flat angles C4'-P-C4' energy: -6.997 flat angles P-C4'-P energy: -5.351 tors. eta vs tors. theta energy: -4.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -62.125459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.125459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.125459 (E_RNA) where: Base-Base interactions energy: -24.620 where: short stacking energy: -20.580 Base-Backbone interact. energy: -0.258 local terms energy: -37.247447 where: bonds (distance) C4'-P energy: -10.936 bonds (distance) P-C4' energy: -10.659 flat angles C4'-P-C4' energy: -3.431 flat angles P-C4'-P energy: -8.750 tors. eta vs tors. theta energy: -3.470 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: 1, replica: 6 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -201.211533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.211533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.211533 (E_RNA) where: Base-Base interactions energy: -138.220 where: short stacking energy: -54.311 Base-Backbone interact. energy: -0.002 local terms energy: -62.989906 where: bonds (distance) C4'-P energy: -13.959 bonds (distance) P-C4' energy: -14.621 flat angles C4'-P-C4' energy: -13.126 flat angles P-C4'-P energy: -7.683 tors. eta vs tors. theta energy: -13.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -201.630901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.630901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.630901 (E_RNA) where: Base-Base interactions energy: -145.622 where: short stacking energy: -62.647 Base-Backbone interact. energy: -0.002 local terms energy: -56.006831 where: bonds (distance) C4'-P energy: -12.519 bonds (distance) P-C4' energy: -11.164 flat angles C4'-P-C4' energy: -11.687 flat angles P-C4'-P energy: -2.668 tors. eta vs tors. theta energy: -17.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -195.648224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.648224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.648224 (E_RNA) where: Base-Base interactions energy: -131.206 where: short stacking energy: -55.549 Base-Backbone interact. energy: 1.865 local terms energy: -66.307765 where: bonds (distance) C4'-P energy: -12.074 bonds (distance) P-C4' energy: -15.287 flat angles C4'-P-C4' energy: -13.946 flat angles P-C4'-P energy: -8.872 tors. eta vs tors. theta energy: -16.129 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: 9 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -197.169755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.169755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.169755 (E_RNA) where: Base-Base interactions energy: -141.455 where: short stacking energy: -59.463 Base-Backbone interact. energy: -0.006 local terms energy: -55.708347 where: bonds (distance) C4'-P energy: -11.748 bonds (distance) P-C4' energy: -7.903 flat angles C4'-P-C4' energy: -12.032 flat angles P-C4'-P energy: -6.490 tors. eta vs tors. theta energy: -17.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -187.246230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.246230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.246230 (E_RNA) where: Base-Base interactions energy: -131.860 where: short stacking energy: -59.022 Base-Backbone interact. energy: -0.002 local terms energy: -55.384548 where: bonds (distance) C4'-P energy: -11.073 bonds (distance) P-C4' energy: -10.187 flat angles C4'-P-C4' energy: -12.087 flat angles P-C4'-P energy: -7.107 tors. eta vs tors. theta energy: -14.931 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: 1 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -180.944277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.944277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.944277 (E_RNA) where: Base-Base interactions energy: -120.623 where: short stacking energy: -49.888 Base-Backbone interact. energy: 0.242 local terms energy: -60.562750 where: bonds (distance) C4'-P energy: -12.104 bonds (distance) P-C4' energy: -11.222 flat angles C4'-P-C4' energy: -13.399 flat angles P-C4'-P energy: -9.082 tors. eta vs tors. theta energy: -14.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -174.845783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.845783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.845783 (E_RNA) where: Base-Base interactions energy: -121.446 where: short stacking energy: -46.027 Base-Backbone interact. energy: -0.004 local terms energy: -53.396108 where: bonds (distance) C4'-P energy: -12.564 bonds (distance) P-C4' energy: -15.097 flat angles C4'-P-C4' energy: -10.568 flat angles P-C4'-P energy: -3.315 tors. eta vs tors. theta energy: -11.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -163.286531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.286531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.286531 (E_RNA) where: Base-Base interactions energy: -120.272 where: short stacking energy: -45.445 Base-Backbone interact. energy: -0.003 local terms energy: -43.011894 where: bonds (distance) C4'-P energy: -6.491 bonds (distance) P-C4' energy: -9.398 flat angles C4'-P-C4' energy: -9.960 flat angles P-C4'-P energy: -9.006 tors. eta vs tors. theta energy: -8.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -73.355906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.355906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.355906 (E_RNA) where: Base-Base interactions energy: -27.003 where: short stacking energy: -24.744 Base-Backbone interact. energy: -0.398 local terms energy: -45.954728 where: bonds (distance) C4'-P energy: -11.280 bonds (distance) P-C4' energy: -14.234 flat angles C4'-P-C4' energy: -11.309 flat angles P-C4'-P energy: -5.318 tors. eta vs tors. theta energy: -3.813 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: 3 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -70.799829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.799829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.799829 (E_RNA) where: Base-Base interactions energy: -30.230 where: short stacking energy: -21.901 Base-Backbone interact. energy: -0.004 local terms energy: -40.565797 where: bonds (distance) C4'-P energy: -9.823 bonds (distance) P-C4' energy: -7.377 flat angles C4'-P-C4' energy: -13.286 flat angles P-C4'-P energy: -7.212 tors. eta vs tors. theta energy: -2.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -199.905627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.905627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.905627 (E_RNA) where: Base-Base interactions energy: -137.990 where: short stacking energy: -60.338 Base-Backbone interact. energy: -0.380 local terms energy: -61.535269 where: bonds (distance) C4'-P energy: -10.002 bonds (distance) P-C4' energy: -14.109 flat angles C4'-P-C4' energy: -13.889 flat angles P-C4'-P energy: -9.418 tors. eta vs tors. theta energy: -14.117 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: 453 Temperature: 0.950000 Total energy: -195.709820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.709820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.709820 (E_RNA) where: Base-Base interactions energy: -132.902 where: short stacking energy: -60.712 Base-Backbone interact. energy: -0.003 local terms energy: -62.804263 where: bonds (distance) C4'-P energy: -9.881 bonds (distance) P-C4' energy: -13.073 flat angles C4'-P-C4' energy: -13.704 flat angles P-C4'-P energy: -7.244 tors. eta vs tors. theta energy: -18.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -194.399467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.399467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.399467 (E_RNA) where: Base-Base interactions energy: -131.573 where: short stacking energy: -57.476 Base-Backbone interact. energy: -0.364 local terms energy: -62.462887 where: bonds (distance) C4'-P energy: -11.608 bonds (distance) P-C4' energy: -13.730 flat angles C4'-P-C4' energy: -11.806 flat angles P-C4'-P energy: -9.053 tors. eta vs tors. theta energy: -16.267 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: 453 Temperature: 1.050000 Total energy: -188.585169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.585169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.585169 (E_RNA) where: Base-Base interactions energy: -133.635 where: short stacking energy: -52.475 Base-Backbone interact. energy: -0.004 local terms energy: -54.946687 where: bonds (distance) C4'-P energy: -10.858 bonds (distance) P-C4' energy: -9.574 flat angles C4'-P-C4' energy: -10.995 flat angles P-C4'-P energy: -6.259 tors. eta vs tors. theta energy: -17.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -178.500292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.500292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.500292 (E_RNA) where: Base-Base interactions energy: -124.584 where: short stacking energy: -47.670 Base-Backbone interact. energy: -0.247 local terms energy: -53.668856 where: bonds (distance) C4'-P energy: -11.251 bonds (distance) P-C4' energy: -11.517 flat angles C4'-P-C4' energy: -11.057 flat angles P-C4'-P energy: -8.427 tors. eta vs tors. theta energy: -11.417 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: 2 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -179.515130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.515130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.515130 (E_RNA) where: Base-Base interactions energy: -124.727 where: short stacking energy: -46.479 Base-Backbone interact. energy: -0.003 local terms energy: -54.785557 where: bonds (distance) C4'-P energy: -12.489 bonds (distance) P-C4' energy: -8.915 flat angles C4'-P-C4' energy: -11.849 flat angles P-C4'-P energy: -10.048 tors. eta vs tors. theta energy: -11.484 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: 1 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -176.078173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.078173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.078173 (E_RNA) where: Base-Base interactions energy: -116.004 where: short stacking energy: -50.044 Base-Backbone interact. energy: 1.716 local terms energy: -61.790315 where: bonds (distance) C4'-P energy: -11.971 bonds (distance) P-C4' energy: -13.236 flat angles C4'-P-C4' energy: -11.360 flat angles P-C4'-P energy: -8.260 tors. eta vs tors. theta energy: -16.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -146.892461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.892461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.892461 (E_RNA) where: Base-Base interactions energy: -99.574 where: short stacking energy: -47.538 Base-Backbone interact. energy: -0.008 local terms energy: -47.310431 where: bonds (distance) C4'-P energy: -13.958 bonds (distance) P-C4' energy: -10.796 flat angles C4'-P-C4' energy: -10.559 flat angles P-C4'-P energy: -0.642 tors. eta vs tors. theta energy: -11.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -116.667248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.667248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.667248 (E_RNA) where: Base-Base interactions energy: -67.329 where: short stacking energy: -36.985 Base-Backbone interact. energy: -0.071 local terms energy: -49.267753 where: bonds (distance) C4'-P energy: -11.230 bonds (distance) P-C4' energy: -13.254 flat angles C4'-P-C4' energy: -9.067 flat angles P-C4'-P energy: -3.032 tors. eta vs tors. theta energy: -12.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -67.360237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.360237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.360237 (E_RNA) where: Base-Base interactions energy: -26.992 where: short stacking energy: -26.992 Base-Backbone interact. energy: -0.156 local terms energy: -40.211983 where: bonds (distance) C4'-P energy: -13.152 bonds (distance) P-C4' energy: -10.215 flat angles C4'-P-C4' energy: -11.238 flat angles P-C4'-P energy: -3.016 tors. eta vs tors. theta energy: -2.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -203.811615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.811615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.811615 (E_RNA) where: Base-Base interactions energy: -142.342 where: short stacking energy: -59.529 Base-Backbone interact. energy: -0.001 local terms energy: -61.468131 where: bonds (distance) C4'-P energy: -12.838 bonds (distance) P-C4' energy: -14.138 flat angles C4'-P-C4' energy: -12.472 flat angles P-C4'-P energy: -6.821 tors. eta vs tors. theta energy: -15.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -195.287166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.287166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.287166 (E_RNA) where: Base-Base interactions energy: -135.365 where: short stacking energy: -54.334 Base-Backbone interact. energy: -0.334 local terms energy: -59.588054 where: bonds (distance) C4'-P energy: -10.423 bonds (distance) P-C4' energy: -14.867 flat angles C4'-P-C4' energy: -11.291 flat angles P-C4'-P energy: -6.203 tors. eta vs tors. theta energy: -16.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -196.631306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.631306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.631306 (E_RNA) where: Base-Base interactions energy: -135.740 where: short stacking energy: -54.033 Base-Backbone interact. energy: -0.002 local terms energy: -60.889632 where: bonds (distance) C4'-P energy: -12.775 bonds (distance) P-C4' energy: -10.623 flat angles C4'-P-C4' energy: -12.617 flat angles P-C4'-P energy: -9.545 tors. eta vs tors. theta energy: -15.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -194.511169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.511169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.511169 (E_RNA) where: Base-Base interactions energy: -137.460 where: short stacking energy: -53.044 Base-Backbone interact. energy: -0.018 local terms energy: -57.032969 where: bonds (distance) C4'-P energy: -7.922 bonds (distance) P-C4' energy: -10.897 flat angles C4'-P-C4' energy: -12.780 flat angles P-C4'-P energy: -9.139 tors. eta vs tors. theta energy: -16.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -179.009882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.009882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.009882 (E_RNA) where: Base-Base interactions energy: -125.451 where: short stacking energy: -54.463 Base-Backbone interact. energy: -0.256 local terms energy: -53.303167 where: bonds (distance) C4'-P energy: -8.436 bonds (distance) P-C4' energy: -7.043 flat angles C4'-P-C4' energy: -13.570 flat angles P-C4'-P energy: -9.747 tors. eta vs tors. theta energy: -14.508 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: 2 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -178.676965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.676965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.676965 (E_RNA) where: Base-Base interactions energy: -118.928 where: short stacking energy: -46.207 Base-Backbone interact. energy: -0.394 local terms energy: -59.355816 where: bonds (distance) C4'-P energy: -12.737 bonds (distance) P-C4' energy: -11.733 flat angles C4'-P-C4' energy: -12.214 flat angles P-C4'-P energy: -8.759 tors. eta vs tors. theta energy: -13.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -183.539515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.539515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.539515 (E_RNA) where: Base-Base interactions energy: -126.697 where: short stacking energy: -53.567 Base-Backbone interact. energy: -0.099 local terms energy: -56.743764 where: bonds (distance) C4'-P energy: -8.639 bonds (distance) P-C4' energy: -13.398 flat angles C4'-P-C4' energy: -12.137 flat angles P-C4'-P energy: -8.842 tors. eta vs tors. theta energy: -13.726 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: 7 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -166.105002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.105002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.105002 (E_RNA) where: Base-Base interactions energy: -119.369 where: short stacking energy: -49.284 Base-Backbone interact. energy: -0.347 local terms energy: -46.389478 where: bonds (distance) C4'-P energy: -10.158 bonds (distance) P-C4' energy: -9.510 flat angles C4'-P-C4' energy: -6.842 flat angles P-C4'-P energy: -7.583 tors. eta vs tors. theta energy: -12.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -88.193736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.193736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.193736 (E_RNA) where: Base-Base interactions energy: -53.582 where: short stacking energy: -22.639 Base-Backbone interact. energy: -0.020 local terms energy: -34.591707 where: bonds (distance) C4'-P energy: -9.126 bonds (distance) P-C4' energy: -8.705 flat angles C4'-P-C4' energy: -5.564 flat angles P-C4'-P energy: -8.447 tors. eta vs tors. theta energy: -2.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -66.544105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.544105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.544105 (E_RNA) where: Base-Base interactions energy: -25.333 where: short stacking energy: -23.801 Base-Backbone interact. energy: -0.019 local terms energy: -41.191895 where: bonds (distance) C4'-P energy: -11.517 bonds (distance) P-C4' energy: -12.511 flat angles C4'-P-C4' energy: -10.117 flat angles P-C4'-P energy: -3.518 tors. eta vs tors. theta energy: -3.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -202.197089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.197089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.197089 (E_RNA) where: Base-Base interactions energy: -143.175 where: short stacking energy: -63.142 Base-Backbone interact. energy: -0.001 local terms energy: -59.021053 where: bonds (distance) C4'-P energy: -13.006 bonds (distance) P-C4' energy: -10.669 flat angles C4'-P-C4' energy: -13.591 flat angles P-C4'-P energy: -5.897 tors. eta vs tors. theta energy: -15.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -200.827410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.827410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.827410 (E_RNA) where: Base-Base interactions energy: -139.891 where: short stacking energy: -59.780 Base-Backbone interact. energy: -0.003 local terms energy: -60.934209 where: bonds (distance) C4'-P energy: -12.974 bonds (distance) P-C4' energy: -9.724 flat angles C4'-P-C4' energy: -11.402 flat angles P-C4'-P energy: -8.295 tors. eta vs tors. theta energy: -18.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -188.620170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.620170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.620170 (E_RNA) where: Base-Base interactions energy: -128.381 where: short stacking energy: -55.529 Base-Backbone interact. energy: -0.278 local terms energy: -59.961454 where: bonds (distance) C4'-P energy: -12.212 bonds (distance) P-C4' energy: -11.831 flat angles C4'-P-C4' energy: -13.822 flat angles P-C4'-P energy: -6.777 tors. eta vs tors. theta energy: -15.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -185.803527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.803527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.803527 (E_RNA) where: Base-Base interactions energy: -126.392 where: short stacking energy: -51.698 Base-Backbone interact. energy: -1.368 local terms energy: -58.043557 where: bonds (distance) C4'-P energy: -11.814 bonds (distance) P-C4' energy: -11.032 flat angles C4'-P-C4' energy: -10.701 flat angles P-C4'-P energy: -11.590 tors. eta vs tors. theta energy: -12.907 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: 455 Temperature: 1.100000 Total energy: -188.029145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.029145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.029145 (E_RNA) where: Base-Base interactions energy: -128.138 where: short stacking energy: -56.232 Base-Backbone interact. energy: 0.221 local terms energy: -60.111877 where: bonds (distance) C4'-P energy: -13.010 bonds (distance) P-C4' energy: -11.426 flat angles C4'-P-C4' energy: -11.156 flat angles P-C4'-P energy: -7.893 tors. eta vs tors. theta energy: -16.627 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: 1 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -167.332122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.332122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.332122 (E_RNA) where: Base-Base interactions energy: -115.561 where: short stacking energy: -52.937 Base-Backbone interact. energy: -0.005 local terms energy: -51.765929 where: bonds (distance) C4'-P energy: -9.388 bonds (distance) P-C4' energy: -13.899 flat angles C4'-P-C4' energy: -11.577 flat angles P-C4'-P energy: -6.469 tors. eta vs tors. theta energy: -10.433 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: 455 Temperature: 1.200000 Total energy: -184.916309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.916309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.916309 (E_RNA) where: Base-Base interactions energy: -129.117 where: short stacking energy: -53.704 Base-Backbone interact. energy: -0.086 local terms energy: -55.712775 where: bonds (distance) C4'-P energy: -10.469 bonds (distance) P-C4' energy: -11.190 flat angles C4'-P-C4' energy: -10.344 flat angles P-C4'-P energy: -7.768 tors. eta vs tors. theta energy: -15.943 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: 7 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -179.284560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.284560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.284560 (E_RNA) where: Base-Base interactions energy: -124.934 where: short stacking energy: -51.101 Base-Backbone interact. energy: -0.136 local terms energy: -54.214710 where: bonds (distance) C4'-P energy: -8.378 bonds (distance) P-C4' energy: -12.659 flat angles C4'-P-C4' energy: -12.119 flat angles P-C4'-P energy: -5.945 tors. eta vs tors. theta energy: -15.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -69.777322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.777322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.777322 (E_RNA) where: Base-Base interactions energy: -22.531 where: short stacking energy: -22.531 Base-Backbone interact. energy: -0.147 local terms energy: -47.100032 where: bonds (distance) C4'-P energy: -11.331 bonds (distance) P-C4' energy: -14.453 flat angles C4'-P-C4' energy: -11.162 flat angles P-C4'-P energy: -7.434 tors. eta vs tors. theta energy: -2.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -69.741658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.741658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.741658 (E_RNA) where: Base-Base interactions energy: -30.870 where: short stacking energy: -24.439 Base-Backbone interact. energy: -0.428 local terms energy: -38.443303 where: bonds (distance) C4'-P energy: -8.329 bonds (distance) P-C4' energy: -11.482 flat angles C4'-P-C4' energy: -9.583 flat angles P-C4'-P energy: -8.438 tors. eta vs tors. theta energy: -0.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -206.554298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.554298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.554298 (E_RNA) where: Base-Base interactions energy: -142.427 where: short stacking energy: -61.399 Base-Backbone interact. energy: -0.712 local terms energy: -63.415132 where: bonds (distance) C4'-P energy: -10.888 bonds (distance) P-C4' energy: -14.278 flat angles C4'-P-C4' energy: -13.289 flat angles P-C4'-P energy: -10.009 tors. eta vs tors. theta energy: -14.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -198.856393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.856393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.856393 (E_RNA) where: Base-Base interactions energy: -138.315 where: short stacking energy: -58.752 Base-Backbone interact. energy: -0.068 local terms energy: -60.473331 where: bonds (distance) C4'-P energy: -12.825 bonds (distance) P-C4' energy: -14.149 flat angles C4'-P-C4' energy: -11.566 flat angles P-C4'-P energy: -5.802 tors. eta vs tors. theta energy: -16.131 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: 10 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -190.913030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.913030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.913030 (E_RNA) where: Base-Base interactions energy: -125.671 where: short stacking energy: -53.248 Base-Backbone interact. energy: 1.599 local terms energy: -66.840584 where: bonds (distance) C4'-P energy: -12.901 bonds (distance) P-C4' energy: -14.399 flat angles C4'-P-C4' energy: -12.399 flat angles P-C4'-P energy: -8.989 tors. eta vs tors. theta energy: -18.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -190.444100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.444100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.444100 (E_RNA) where: Base-Base interactions energy: -131.196 where: short stacking energy: -56.851 Base-Backbone interact. energy: -0.001 local terms energy: -59.247713 where: bonds (distance) C4'-P energy: -10.026 bonds (distance) P-C4' energy: -13.998 flat angles C4'-P-C4' energy: -9.774 flat angles P-C4'-P energy: -8.020 tors. eta vs tors. theta energy: -17.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -179.454433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.454433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.454433 (E_RNA) where: Base-Base interactions energy: -119.824 where: short stacking energy: -40.309 Base-Backbone interact. energy: -0.125 local terms energy: -59.505031 where: bonds (distance) C4'-P energy: -11.267 bonds (distance) P-C4' energy: -14.262 flat angles C4'-P-C4' energy: -12.799 flat angles P-C4'-P energy: -9.861 tors. eta vs tors. theta energy: -11.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -184.395732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.395732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.395732 (E_RNA) where: Base-Base interactions energy: -131.519 where: short stacking energy: -54.328 Base-Backbone interact. energy: -0.001 local terms energy: -52.875910 where: bonds (distance) C4'-P energy: -11.781 bonds (distance) P-C4' energy: -9.918 flat angles C4'-P-C4' energy: -13.426 flat angles P-C4'-P energy: -3.874 tors. eta vs tors. theta energy: -13.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -166.383609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.383609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.383609 (E_RNA) where: Base-Base interactions energy: -113.990 where: short stacking energy: -49.680 Base-Backbone interact. energy: -0.000 local terms energy: -52.393659 where: bonds (distance) C4'-P energy: -10.241 bonds (distance) P-C4' energy: -11.577 flat angles C4'-P-C4' energy: -10.737 flat angles P-C4'-P energy: -8.261 tors. eta vs tors. theta energy: -11.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -174.272714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.272714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.272714 (E_RNA) where: Base-Base interactions energy: -128.519 where: short stacking energy: -49.344 Base-Backbone interact. energy: 0.585 local terms energy: -46.339585 where: bonds (distance) C4'-P energy: -5.779 bonds (distance) P-C4' energy: -12.832 flat angles C4'-P-C4' energy: -10.742 flat angles P-C4'-P energy: -6.707 tors. eta vs tors. theta energy: -10.279 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: 3 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -64.078576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.078576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.078576 (E_RNA) where: Base-Base interactions energy: -18.474 where: short stacking energy: -18.474 Base-Backbone interact. energy: -0.143 local terms energy: -45.461477 where: bonds (distance) C4'-P energy: -8.838 bonds (distance) P-C4' energy: -14.646 flat angles C4'-P-C4' energy: -11.699 flat angles P-C4'-P energy: -8.310 tors. eta vs tors. theta energy: -1.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -59.460292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.460292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.460292 (E_RNA) where: Base-Base interactions energy: -18.598 where: short stacking energy: -18.598 Base-Backbone interact. energy: 1.162 local terms energy: -42.024418 where: bonds (distance) C4'-P energy: -6.283 bonds (distance) P-C4' energy: -10.858 flat angles C4'-P-C4' energy: -12.056 flat angles P-C4'-P energy: -11.527 tors. eta vs tors. theta energy: -1.299 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: 4 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -205.462879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.462879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.462879 (E_RNA) where: Base-Base interactions energy: -140.245 where: short stacking energy: -59.650 Base-Backbone interact. energy: -0.004 local terms energy: -65.213746 where: bonds (distance) C4'-P energy: -14.198 bonds (distance) P-C4' energy: -11.817 flat angles C4'-P-C4' energy: -14.229 flat angles P-C4'-P energy: -8.682 tors. eta vs tors. theta energy: -16.288 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: 10 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -201.045917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.045917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.045917 (E_RNA) where: Base-Base interactions energy: -138.508 where: short stacking energy: -54.514 Base-Backbone interact. energy: -0.001 local terms energy: -62.537077 where: bonds (distance) C4'-P energy: -12.518 bonds (distance) P-C4' energy: -13.088 flat angles C4'-P-C4' energy: -10.237 flat angles P-C4'-P energy: -10.121 tors. eta vs tors. theta energy: -16.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -199.740718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.740718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.740718 (E_RNA) where: Base-Base interactions energy: -139.723 where: short stacking energy: -61.662 Base-Backbone interact. energy: -0.001 local terms energy: -60.017453 where: bonds (distance) C4'-P energy: -12.005 bonds (distance) P-C4' energy: -14.683 flat angles C4'-P-C4' energy: -11.179 flat angles P-C4'-P energy: -8.150 tors. eta vs tors. theta energy: -14.001 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: 457 Temperature: 1.050000 Total energy: -201.058316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.058316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.058316 (E_RNA) where: Base-Base interactions energy: -140.651 where: short stacking energy: -58.119 Base-Backbone interact. energy: -0.001 local terms energy: -60.405948 where: bonds (distance) C4'-P energy: -10.838 bonds (distance) P-C4' energy: -11.963 flat angles C4'-P-C4' energy: -13.644 flat angles P-C4'-P energy: -6.657 tors. eta vs tors. theta energy: -17.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -189.965095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.965095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.965095 (E_RNA) where: Base-Base interactions energy: -127.941 where: short stacking energy: -53.508 Base-Backbone interact. energy: -0.005 local terms energy: -62.018504 where: bonds (distance) C4'-P energy: -10.986 bonds (distance) P-C4' energy: -13.540 flat angles C4'-P-C4' energy: -12.556 flat angles P-C4'-P energy: -9.044 tors. eta vs tors. theta energy: -15.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -181.336238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.336238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.336238 (E_RNA) where: Base-Base interactions energy: -129.577 where: short stacking energy: -51.195 Base-Backbone interact. energy: -0.010 local terms energy: -51.749379 where: bonds (distance) C4'-P energy: -8.661 bonds (distance) P-C4' energy: -11.576 flat angles C4'-P-C4' energy: -11.593 flat angles P-C4'-P energy: -7.354 tors. eta vs tors. theta energy: -12.566 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: 457 Temperature: 1.200000 Total energy: -167.674691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.674691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.674691 (E_RNA) where: Base-Base interactions energy: -113.894 where: short stacking energy: -41.244 Base-Backbone interact. energy: -0.320 local terms energy: -53.460904 where: bonds (distance) C4'-P energy: -9.645 bonds (distance) P-C4' energy: -10.438 flat angles C4'-P-C4' energy: -10.936 flat angles P-C4'-P energy: -10.891 tors. eta vs tors. theta energy: -11.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -176.991677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.991677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.991677 (E_RNA) where: Base-Base interactions energy: -118.785 where: short stacking energy: -47.164 Base-Backbone interact. energy: -0.091 local terms energy: -58.116063 where: bonds (distance) C4'-P energy: -10.418 bonds (distance) P-C4' energy: -12.917 flat angles C4'-P-C4' energy: -12.477 flat angles P-C4'-P energy: -8.771 tors. eta vs tors. theta energy: -13.533 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: 3 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -87.346306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.346306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.346306 (E_RNA) where: Base-Base interactions energy: -53.488 where: short stacking energy: -26.123 Base-Backbone interact. energy: -0.678 local terms energy: -33.180944 where: bonds (distance) C4'-P energy: -7.516 bonds (distance) P-C4' energy: -7.984 flat angles C4'-P-C4' energy: -6.987 flat angles P-C4'-P energy: -7.872 tors. eta vs tors. theta energy: -2.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -62.358422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.358422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.358422 (E_RNA) where: Base-Base interactions energy: -21.486 where: short stacking energy: -21.486 Base-Backbone interact. energy: -0.555 local terms energy: -40.317069 where: bonds (distance) C4'-P energy: -10.693 bonds (distance) P-C4' energy: -12.857 flat angles C4'-P-C4' energy: -10.226 flat angles P-C4'-P energy: -6.069 tors. eta vs tors. theta energy: -0.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -191.686061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.686061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.686061 (E_RNA) where: Base-Base interactions energy: -136.243 where: short stacking energy: -54.377 Base-Backbone interact. energy: -0.022 local terms energy: -55.420536 where: bonds (distance) C4'-P energy: -10.883 bonds (distance) P-C4' energy: -11.328 flat angles C4'-P-C4' energy: -12.798 flat angles P-C4'-P energy: -7.756 tors. eta vs tors. theta energy: -12.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -196.758628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.758628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.758628 (E_RNA) where: Base-Base interactions energy: -134.844 where: short stacking energy: -55.607 Base-Backbone interact. energy: -0.003 local terms energy: -61.912026 where: bonds (distance) C4'-P energy: -12.076 bonds (distance) P-C4' energy: -13.292 flat angles C4'-P-C4' energy: -11.385 flat angles P-C4'-P energy: -9.527 tors. eta vs tors. theta energy: -15.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -187.584946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.584946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.584946 (E_RNA) where: Base-Base interactions energy: -130.531 where: short stacking energy: -51.886 Base-Backbone interact. energy: -0.016 local terms energy: -57.037762 where: bonds (distance) C4'-P energy: -11.876 bonds (distance) P-C4' energy: -11.799 flat angles C4'-P-C4' energy: -11.457 flat angles P-C4'-P energy: -11.858 tors. eta vs tors. theta energy: -10.048 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: 6 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -187.547817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.547817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.547817 (E_RNA) where: Base-Base interactions energy: -130.857 where: short stacking energy: -57.458 Base-Backbone interact. energy: -0.383 local terms energy: -56.307431 where: bonds (distance) C4'-P energy: -11.321 bonds (distance) P-C4' energy: -12.766 flat angles C4'-P-C4' energy: -11.000 flat angles P-C4'-P energy: -10.692 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: 5, replica: 9 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -187.278581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.278581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.278581 (E_RNA) where: Base-Base interactions energy: -122.090 where: short stacking energy: -54.773 Base-Backbone interact. energy: -0.008 local terms energy: -65.180858 where: bonds (distance) C4'-P energy: -14.989 bonds (distance) P-C4' energy: -12.177 flat angles C4'-P-C4' energy: -11.950 flat angles P-C4'-P energy: -11.433 tors. eta vs tors. theta energy: -14.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -190.974717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.974717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.974717 (E_RNA) where: Base-Base interactions energy: -134.622 where: short stacking energy: -55.506 Base-Backbone interact. energy: -0.003 local terms energy: -56.349591 where: bonds (distance) C4'-P energy: -8.320 bonds (distance) P-C4' energy: -10.623 flat angles C4'-P-C4' energy: -12.403 flat angles P-C4'-P energy: -7.451 tors. eta vs tors. theta energy: -17.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -179.442369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.442369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.442369 (E_RNA) where: Base-Base interactions energy: -121.211 where: short stacking energy: -44.922 Base-Backbone interact. energy: -0.004 local terms energy: -58.227881 where: bonds (distance) C4'-P energy: -10.428 bonds (distance) P-C4' energy: -10.173 flat angles C4'-P-C4' energy: -13.677 flat angles P-C4'-P energy: -8.704 tors. eta vs tors. theta energy: -15.245 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: 7 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -176.635487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.635487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.635487 (E_RNA) where: Base-Base interactions energy: -122.053 where: short stacking energy: -47.136 Base-Backbone interact. energy: -0.113 local terms energy: -54.469005 where: bonds (distance) C4'-P energy: -10.837 bonds (distance) P-C4' energy: -14.435 flat angles C4'-P-C4' energy: -10.775 flat angles P-C4'-P energy: -7.763 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: 9, replica: 8 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -72.993129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.993129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.993129 (E_RNA) where: Base-Base interactions energy: -28.402 where: short stacking energy: -28.402 Base-Backbone interact. energy: -0.075 local terms energy: -44.516581 where: bonds (distance) C4'-P energy: -12.336 bonds (distance) P-C4' energy: -11.066 flat angles C4'-P-C4' energy: -11.039 flat angles P-C4'-P energy: -7.031 tors. eta vs tors. theta energy: -3.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -67.243453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.243453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.243453 (E_RNA) where: Base-Base interactions energy: -30.540 where: short stacking energy: -28.139 Base-Backbone interact. energy: -0.204 local terms energy: -36.499746 where: bonds (distance) C4'-P energy: -10.929 bonds (distance) P-C4' energy: -10.216 flat angles C4'-P-C4' energy: -10.278 flat angles P-C4'-P energy: -1.070 tors. eta vs tors. theta energy: -4.007 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: 10 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -203.375360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.375360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.375360 (E_RNA) where: Base-Base interactions energy: -141.265 where: short stacking energy: -61.511 Base-Backbone interact. energy: 0.050 local terms energy: -62.159926 where: bonds (distance) C4'-P energy: -11.579 bonds (distance) P-C4' energy: -13.063 flat angles C4'-P-C4' energy: -13.942 flat angles P-C4'-P energy: -10.070 tors. eta vs tors. theta energy: -13.506 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: 5 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -191.861610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.861610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.861610 (E_RNA) where: Base-Base interactions energy: -138.567 where: short stacking energy: -46.819 Base-Backbone interact. energy: 0.209 local terms energy: -53.504139 where: bonds (distance) C4'-P energy: -8.211 bonds (distance) P-C4' energy: -11.901 flat angles C4'-P-C4' energy: -13.099 flat angles P-C4'-P energy: -10.976 tors. eta vs tors. theta energy: -9.317 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: 4 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -187.713150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.713150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.713150 (E_RNA) where: Base-Base interactions energy: -125.063 where: short stacking energy: -58.974 Base-Backbone interact. energy: -0.000 local terms energy: -62.649682 where: bonds (distance) C4'-P energy: -13.620 bonds (distance) P-C4' energy: -13.483 flat angles C4'-P-C4' energy: -12.973 flat angles P-C4'-P energy: -6.002 tors. eta vs tors. theta energy: -16.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -197.997948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.997948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.997948 (E_RNA) where: Base-Base interactions energy: -129.351 where: short stacking energy: -53.233 Base-Backbone interact. energy: -0.046 local terms energy: -68.601791 where: bonds (distance) C4'-P energy: -14.315 bonds (distance) P-C4' energy: -14.498 flat angles C4'-P-C4' energy: -13.195 flat angles P-C4'-P energy: -10.356 tors. eta vs tors. theta energy: -16.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -189.404802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.404802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.404802 (E_RNA) where: Base-Base interactions energy: -137.849 where: short stacking energy: -55.283 Base-Backbone interact. energy: -0.002 local terms energy: -51.553136 where: bonds (distance) C4'-P energy: -10.025 bonds (distance) P-C4' energy: -9.787 flat angles C4'-P-C4' energy: -12.127 flat angles P-C4'-P energy: -7.178 tors. eta vs tors. theta energy: -12.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -182.520786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.520786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.520786 (E_RNA) where: Base-Base interactions energy: -137.383 where: short stacking energy: -49.127 Base-Backbone interact. energy: 2.647 local terms energy: -47.784073 where: bonds (distance) C4'-P energy: -8.192 bonds (distance) P-C4' energy: -9.319 flat angles C4'-P-C4' energy: -15.053 flat angles P-C4'-P energy: -3.301 tors. eta vs tors. theta energy: -11.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -182.174877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.174877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.174877 (E_RNA) where: Base-Base interactions energy: -126.242 where: short stacking energy: -50.097 Base-Backbone interact. energy: -0.031 local terms energy: -55.902153 where: bonds (distance) C4'-P energy: -11.471 bonds (distance) P-C4' energy: -13.504 flat angles C4'-P-C4' energy: -10.154 flat angles P-C4'-P energy: -8.979 tors. eta vs tors. theta energy: -11.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -173.220140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.220140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.220140 (E_RNA) where: Base-Base interactions energy: -124.782 where: short stacking energy: -52.812 Base-Backbone interact. energy: -0.158 local terms energy: -48.280307 where: bonds (distance) C4'-P energy: -6.220 bonds (distance) P-C4' energy: -9.414 flat angles C4'-P-C4' energy: -11.423 flat angles P-C4'-P energy: -4.302 tors. eta vs tors. theta energy: -16.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -68.499661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.499661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.499661 (E_RNA) where: Base-Base interactions energy: -30.387 where: short stacking energy: -18.487 Base-Backbone interact. energy: -0.125 local terms energy: -37.988030 where: bonds (distance) C4'-P energy: -10.597 bonds (distance) P-C4' energy: -11.758 flat angles C4'-P-C4' energy: -8.752 flat angles P-C4'-P energy: -6.464 tors. eta vs tors. theta energy: -0.417 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: 10, replica: 3 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -63.363133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.363133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.363133 (E_RNA) where: Base-Base interactions energy: -30.250 where: short stacking energy: -19.397 Base-Backbone interact. energy: -0.139 local terms energy: -32.974022 where: bonds (distance) C4'-P energy: -8.134 bonds (distance) P-C4' energy: -8.660 flat angles C4'-P-C4' energy: -8.393 flat angles P-C4'-P energy: -6.048 tors. eta vs tors. theta energy: -1.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -205.570610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.570610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.570610 (E_RNA) where: Base-Base interactions energy: -137.468 where: short stacking energy: -58.030 Base-Backbone interact. energy: -0.001 local terms energy: -68.101854 where: bonds (distance) C4'-P energy: -13.958 bonds (distance) P-C4' energy: -12.143 flat angles C4'-P-C4' energy: -14.295 flat angles P-C4'-P energy: -11.896 tors. eta vs tors. theta energy: -15.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -193.013089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.013089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.013089 (E_RNA) where: Base-Base interactions energy: -128.513 where: short stacking energy: -54.455 Base-Backbone interact. energy: -0.000 local terms energy: -64.499556 where: bonds (distance) C4'-P energy: -15.291 bonds (distance) P-C4' energy: -14.385 flat angles C4'-P-C4' energy: -9.889 flat angles P-C4'-P energy: -10.038 tors. eta vs tors. theta energy: -14.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -185.381321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.381321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.381321 (E_RNA) where: Base-Base interactions energy: -128.641 where: short stacking energy: -51.203 Base-Backbone interact. energy: -0.011 local terms energy: -56.729688 where: bonds (distance) C4'-P energy: -10.042 bonds (distance) P-C4' energy: -13.991 flat angles C4'-P-C4' energy: -10.794 flat angles P-C4'-P energy: -9.297 tors. eta vs tors. theta energy: -12.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -189.851592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.851592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.851592 (E_RNA) where: Base-Base interactions energy: -129.906 where: short stacking energy: -61.787 Base-Backbone interact. energy: -0.214 local terms energy: -59.731188 where: bonds (distance) C4'-P energy: -12.766 bonds (distance) P-C4' energy: -11.319 flat angles C4'-P-C4' energy: -14.739 flat angles P-C4'-P energy: -7.637 tors. eta vs tors. theta energy: -13.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -186.528226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.528226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.528226 (E_RNA) where: Base-Base interactions energy: -132.615 where: short stacking energy: -50.716 Base-Backbone interact. energy: -0.006 local terms energy: -53.907691 where: bonds (distance) C4'-P energy: -12.163 bonds (distance) P-C4' energy: -13.589 flat angles C4'-P-C4' energy: -11.585 flat angles P-C4'-P energy: -5.108 tors. eta vs tors. theta energy: -11.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -183.083484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.083484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.083484 (E_RNA) where: Base-Base interactions energy: -117.241 where: short stacking energy: -53.753 Base-Backbone interact. energy: -0.442 local terms energy: -65.400597 where: bonds (distance) C4'-P energy: -12.270 bonds (distance) P-C4' energy: -13.269 flat angles C4'-P-C4' energy: -12.365 flat angles P-C4'-P energy: -9.879 tors. eta vs tors. theta energy: -17.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -177.044024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.044024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.044024 (E_RNA) where: Base-Base interactions energy: -119.715 where: short stacking energy: -51.294 Base-Backbone interact. energy: -0.021 local terms energy: -57.308270 where: bonds (distance) C4'-P energy: -10.895 bonds (distance) P-C4' energy: -8.551 flat angles C4'-P-C4' energy: -13.515 flat angles P-C4'-P energy: -10.389 tors. eta vs tors. theta energy: -13.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -177.567903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.567903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.567903 (E_RNA) where: Base-Base interactions energy: -125.120 where: short stacking energy: -50.145 Base-Backbone interact. energy: -0.486 local terms energy: -51.962142 where: bonds (distance) C4'-P energy: -9.936 bonds (distance) P-C4' energy: -10.151 flat angles C4'-P-C4' energy: -11.943 flat angles P-C4'-P energy: -8.306 tors. eta vs tors. theta energy: -11.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -69.000283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.000283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.000283 (E_RNA) where: Base-Base interactions energy: -29.934 where: short stacking energy: -18.486 Base-Backbone interact. energy: -0.854 local terms energy: -38.211638 where: bonds (distance) C4'-P energy: -12.626 bonds (distance) P-C4' energy: -7.441 flat angles C4'-P-C4' energy: -11.553 flat angles P-C4'-P energy: -7.716 tors. eta vs tors. theta energy: 1.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -61.696711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.696711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.696711 (E_RNA) where: Base-Base interactions energy: -21.585 where: short stacking energy: -21.585 Base-Backbone interact. energy: -0.411 local terms energy: -39.700448 where: bonds (distance) C4'-P energy: -9.388 bonds (distance) P-C4' energy: -9.496 flat angles C4'-P-C4' energy: -12.863 flat angles P-C4'-P energy: -4.550 tors. eta vs tors. theta energy: -3.404 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: 10 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -203.157415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.157415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.157415 (E_RNA) where: Base-Base interactions energy: -137.059 where: short stacking energy: -60.081 Base-Backbone interact. energy: -0.003 local terms energy: -66.094796 where: bonds (distance) C4'-P energy: -11.012 bonds (distance) P-C4' energy: -13.895 flat angles C4'-P-C4' energy: -14.014 flat angles P-C4'-P energy: -10.244 tors. eta vs tors. theta energy: -16.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -188.972174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.972174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.972174 (E_RNA) where: Base-Base interactions energy: -128.799 where: short stacking energy: -52.126 Base-Backbone interact. energy: -0.019 local terms energy: -60.154219 where: bonds (distance) C4'-P energy: -11.264 bonds (distance) P-C4' energy: -13.731 flat angles C4'-P-C4' energy: -13.101 flat angles P-C4'-P energy: -9.582 tors. eta vs tors. theta energy: -12.477 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: 5 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -180.887962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.887962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.887962 (E_RNA) where: Base-Base interactions energy: -126.289 where: short stacking energy: -52.733 Base-Backbone interact. energy: -0.003 local terms energy: -54.596327 where: bonds (distance) C4'-P energy: -12.456 bonds (distance) P-C4' energy: -8.049 flat angles C4'-P-C4' energy: -10.583 flat angles P-C4'-P energy: -9.215 tors. eta vs tors. theta energy: -14.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -190.323484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.323484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.323484 (E_RNA) where: Base-Base interactions energy: -136.415 where: short stacking energy: -51.867 Base-Backbone interact. energy: 0.526 local terms energy: -54.434994 where: bonds (distance) C4'-P energy: -12.144 bonds (distance) P-C4' energy: -9.992 flat angles C4'-P-C4' energy: -11.964 flat angles P-C4'-P energy: -6.608 tors. eta vs tors. theta energy: -13.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -168.257347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.257347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.257347 (E_RNA) where: Base-Base interactions energy: -113.100 where: short stacking energy: -45.415 Base-Backbone interact. energy: -0.413 local terms energy: -54.744549 where: bonds (distance) C4'-P energy: -12.717 bonds (distance) P-C4' energy: -12.845 flat angles C4'-P-C4' energy: -10.456 flat angles P-C4'-P energy: -6.254 tors. eta vs tors. theta energy: -12.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -177.988893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.988893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.988893 (E_RNA) where: Base-Base interactions energy: -131.876 where: short stacking energy: -47.217 Base-Backbone interact. energy: -0.367 local terms energy: -45.745667 where: bonds (distance) C4'-P energy: -9.915 bonds (distance) P-C4' energy: -9.908 flat angles C4'-P-C4' energy: -10.253 flat angles P-C4'-P energy: -5.967 tors. eta vs tors. theta energy: -9.703 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: 1 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -178.024087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.024087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.024087 (E_RNA) where: Base-Base interactions energy: -116.263 where: short stacking energy: -45.829 Base-Backbone interact. energy: -0.001 local terms energy: -61.759993 where: bonds (distance) C4'-P energy: -11.508 bonds (distance) P-C4' energy: -13.413 flat angles C4'-P-C4' energy: -13.959 flat angles P-C4'-P energy: -7.787 tors. eta vs tors. theta energy: -15.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -175.668440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.668440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.668440 (E_RNA) where: Base-Base interactions energy: -116.151 where: short stacking energy: -50.662 Base-Backbone interact. energy: -0.004 local terms energy: -59.513385 where: bonds (distance) C4'-P energy: -13.984 bonds (distance) P-C4' energy: -13.172 flat angles C4'-P-C4' energy: -13.667 flat angles P-C4'-P energy: -5.241 tors. eta vs tors. theta energy: -13.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -69.344319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.344319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.344319 (E_RNA) where: Base-Base interactions energy: -28.418 where: short stacking energy: -20.926 Base-Backbone interact. energy: -0.060 local terms energy: -40.866140 where: bonds (distance) C4'-P energy: -11.561 bonds (distance) P-C4' energy: -14.209 flat angles C4'-P-C4' energy: -9.890 flat angles P-C4'-P energy: -2.612 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: 10, replica: 8 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -68.082004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.082004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.082004 (E_RNA) where: Base-Base interactions energy: -30.264 where: short stacking energy: -23.016 Base-Backbone interact. energy: -0.121 local terms energy: -37.696687 where: bonds (distance) C4'-P energy: -8.196 bonds (distance) P-C4' energy: -12.403 flat angles C4'-P-C4' energy: -9.320 flat angles P-C4'-P energy: -4.270 tors. eta vs tors. theta energy: -3.507 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: 1, replica: 10 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -204.249099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.249099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.249099 (E_RNA) where: Base-Base interactions energy: -138.513 where: short stacking energy: -54.985 Base-Backbone interact. energy: -0.100 local terms energy: -65.635440 where: bonds (distance) C4'-P energy: -13.148 bonds (distance) P-C4' energy: -13.092 flat angles C4'-P-C4' energy: -13.824 flat angles P-C4'-P energy: -8.814 tors. eta vs tors. theta energy: -16.757 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: 9 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -195.149117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.149117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.149117 (E_RNA) where: Base-Base interactions energy: -128.515 where: short stacking energy: -57.084 Base-Backbone interact. energy: -0.033 local terms energy: -66.601808 where: bonds (distance) C4'-P energy: -13.230 bonds (distance) P-C4' energy: -14.463 flat angles C4'-P-C4' energy: -14.133 flat angles P-C4'-P energy: -7.076 tors. eta vs tors. theta energy: -17.699 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: 6 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -196.565718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.565718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.565718 (E_RNA) where: Base-Base interactions energy: -132.020 where: short stacking energy: -60.551 Base-Backbone interact. energy: -0.002 local terms energy: -64.544511 where: bonds (distance) C4'-P energy: -11.885 bonds (distance) P-C4' energy: -14.079 flat angles C4'-P-C4' energy: -11.900 flat angles P-C4'-P energy: -10.331 tors. eta vs tors. theta energy: -16.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -177.355693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.355693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.355693 (E_RNA) where: Base-Base interactions energy: -133.582 where: short stacking energy: -47.602 Base-Backbone interact. energy: -0.440 local terms energy: -43.334171 where: bonds (distance) C4'-P energy: -12.224 bonds (distance) P-C4' energy: -7.819 flat angles C4'-P-C4' energy: -9.939 flat angles P-C4'-P energy: -0.209 tors. eta vs tors. theta energy: -13.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -170.233610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.233610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.233610 (E_RNA) where: Base-Base interactions energy: -115.363 where: short stacking energy: -47.970 Base-Backbone interact. energy: -0.007 local terms energy: -54.863753 where: bonds (distance) C4'-P energy: -12.468 bonds (distance) P-C4' energy: -13.082 flat angles C4'-P-C4' energy: -9.336 flat angles P-C4'-P energy: -7.020 tors. eta vs tors. theta energy: -12.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -171.836113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.836113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.836113 (E_RNA) where: Base-Base interactions energy: -125.315 where: short stacking energy: -46.498 Base-Backbone interact. energy: -0.010 local terms energy: -46.511025 where: bonds (distance) C4'-P energy: -10.396 bonds (distance) P-C4' energy: -13.236 flat angles C4'-P-C4' energy: -8.569 flat angles P-C4'-P energy: -3.595 tors. eta vs tors. theta energy: -10.715 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: 462 Temperature: 1.200000 Total energy: -170.874549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.874549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.874549 (E_RNA) where: Base-Base interactions energy: -118.513 where: short stacking energy: -42.587 Base-Backbone interact. energy: -0.148 local terms energy: -52.214144 where: bonds (distance) C4'-P energy: -8.491 bonds (distance) P-C4' energy: -12.160 flat angles C4'-P-C4' energy: -13.018 flat angles P-C4'-P energy: -8.378 tors. eta vs tors. theta energy: -10.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -173.795454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.795454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.795454 (E_RNA) where: Base-Base interactions energy: -110.776 where: short stacking energy: -39.383 Base-Backbone interact. energy: 0.276 local terms energy: -63.295334 where: bonds (distance) C4'-P energy: -13.130 bonds (distance) P-C4' energy: -12.060 flat angles C4'-P-C4' energy: -12.868 flat angles P-C4'-P energy: -10.910 tors. eta vs tors. theta energy: -14.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -62.483617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.483617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.483617 (E_RNA) where: Base-Base interactions energy: -21.835 where: short stacking energy: -16.864 Base-Backbone interact. energy: -0.310 local terms energy: -40.339250 where: bonds (distance) C4'-P energy: -12.331 bonds (distance) P-C4' energy: -13.370 flat angles C4'-P-C4' energy: -6.804 flat angles P-C4'-P energy: -7.114 tors. eta vs tors. theta energy: -0.719 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: 3 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -89.577399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.577399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.577399 (E_RNA) where: Base-Base interactions energy: -41.011 where: short stacking energy: -22.242 Base-Backbone interact. energy: -0.196 local terms energy: -48.370277 where: bonds (distance) C4'-P energy: -13.780 bonds (distance) P-C4' energy: -13.447 flat angles C4'-P-C4' energy: -10.932 flat angles P-C4'-P energy: -5.486 tors. eta vs tors. theta energy: -4.724 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: 1, replica: 10 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -199.649654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.649654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.649654 (E_RNA) where: Base-Base interactions energy: -136.606 where: short stacking energy: -58.068 Base-Backbone interact. energy: -0.002 local terms energy: -63.041863 where: bonds (distance) C4'-P energy: -12.558 bonds (distance) P-C4' energy: -11.018 flat angles C4'-P-C4' energy: -12.523 flat angles P-C4'-P energy: -9.356 tors. eta vs tors. theta energy: -17.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -198.114485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.114485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.114485 (E_RNA) where: Base-Base interactions energy: -139.010 where: short stacking energy: -58.337 Base-Backbone interact. energy: -0.003 local terms energy: -59.101546 where: bonds (distance) C4'-P energy: -11.119 bonds (distance) P-C4' energy: -12.169 flat angles C4'-P-C4' energy: -13.221 flat angles P-C4'-P energy: -7.082 tors. eta vs tors. theta energy: -15.511 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: 3, replica: 9 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -187.025590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.025590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.025590 (E_RNA) where: Base-Base interactions energy: -125.556 where: short stacking energy: -57.700 Base-Backbone interact. energy: -0.091 local terms energy: -61.378213 where: bonds (distance) C4'-P energy: -11.831 bonds (distance) P-C4' energy: -13.021 flat angles C4'-P-C4' energy: -14.154 flat angles P-C4'-P energy: -7.117 tors. eta vs tors. theta energy: -15.255 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: 4 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -193.407112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.407112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.407112 (E_RNA) where: Base-Base interactions energy: -132.791 where: short stacking energy: -56.905 Base-Backbone interact. energy: -0.257 local terms energy: -60.358885 where: bonds (distance) C4'-P energy: -9.592 bonds (distance) P-C4' energy: -12.855 flat angles C4'-P-C4' energy: -13.511 flat angles P-C4'-P energy: -10.260 tors. eta vs tors. theta energy: -14.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -198.753901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.753901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.753901 (E_RNA) where: Base-Base interactions energy: -134.380 where: short stacking energy: -59.758 Base-Backbone interact. energy: -0.217 local terms energy: -64.156943 where: bonds (distance) C4'-P energy: -11.785 bonds (distance) P-C4' energy: -14.631 flat angles C4'-P-C4' energy: -13.802 flat angles P-C4'-P energy: -6.104 tors. eta vs tors. theta energy: -17.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -179.975934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.975934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.975934 (E_RNA) where: Base-Base interactions energy: -121.310 where: short stacking energy: -51.172 Base-Backbone interact. energy: -0.002 local terms energy: -58.663388 where: bonds (distance) C4'-P energy: -12.883 bonds (distance) P-C4' energy: -9.936 flat angles C4'-P-C4' energy: -12.969 flat angles P-C4'-P energy: -9.364 tors. eta vs tors. theta energy: -13.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -181.324344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.324344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.324344 (E_RNA) where: Base-Base interactions energy: -125.966 where: short stacking energy: -53.780 Base-Backbone interact. energy: -0.001 local terms energy: -55.356874 where: bonds (distance) C4'-P energy: -13.052 bonds (distance) P-C4' energy: -12.677 flat angles C4'-P-C4' energy: -10.338 flat angles P-C4'-P energy: -3.813 tors. eta vs tors. theta energy: -15.477 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: 1 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -176.371403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.371403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.371403 (E_RNA) where: Base-Base interactions energy: -121.120 where: short stacking energy: -33.454 Base-Backbone interact. energy: -0.270 local terms energy: -54.981727 where: bonds (distance) C4'-P energy: -10.974 bonds (distance) P-C4' energy: -11.588 flat angles C4'-P-C4' energy: -13.734 flat angles P-C4'-P energy: -6.660 tors. eta vs tors. theta energy: -12.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -81.075501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.075501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.075501 (E_RNA) where: Base-Base interactions energy: -46.568 where: short stacking energy: -25.412 Base-Backbone interact. energy: 0.226 local terms energy: -34.733606 where: bonds (distance) C4'-P energy: -9.127 bonds (distance) P-C4' energy: -13.638 flat angles C4'-P-C4' energy: -6.042 flat angles P-C4'-P energy: -6.941 tors. eta vs tors. theta energy: 1.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -74.375067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.375067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.375067 (E_RNA) where: Base-Base interactions energy: -37.499 where: short stacking energy: -22.089 Base-Backbone interact. energy: 0.628 local terms energy: -37.504658 where: bonds (distance) C4'-P energy: -10.931 bonds (distance) P-C4' energy: -11.532 flat angles C4'-P-C4' energy: -6.395 flat angles P-C4'-P energy: -8.088 tors. eta vs tors. theta energy: -0.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -198.697185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.697185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.697185 (E_RNA) where: Base-Base interactions energy: -139.506 where: short stacking energy: -58.356 Base-Backbone interact. energy: -0.002 local terms energy: -59.189623 where: bonds (distance) C4'-P energy: -13.002 bonds (distance) P-C4' energy: -9.516 flat angles C4'-P-C4' energy: -12.154 flat angles P-C4'-P energy: -8.266 tors. eta vs tors. theta energy: -16.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -198.746718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.746718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.746718 (E_RNA) where: Base-Base interactions energy: -139.251 where: short stacking energy: -56.340 Base-Backbone interact. energy: -0.012 local terms energy: -59.483732 where: bonds (distance) C4'-P energy: -13.059 bonds (distance) P-C4' energy: -8.097 flat angles C4'-P-C4' energy: -14.064 flat angles P-C4'-P energy: -9.186 tors. eta vs tors. theta energy: -15.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -190.623478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.623478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.623478 (E_RNA) where: Base-Base interactions energy: -134.497 where: short stacking energy: -54.851 Base-Backbone interact. energy: -0.004 local terms energy: -56.121930 where: bonds (distance) C4'-P energy: -12.530 bonds (distance) P-C4' energy: -10.735 flat angles C4'-P-C4' energy: -12.608 flat angles P-C4'-P energy: -6.476 tors. eta vs tors. theta energy: -13.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -197.259405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.259405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.259405 (E_RNA) where: Base-Base interactions energy: -135.989 where: short stacking energy: -55.200 Base-Backbone interact. energy: -0.349 local terms energy: -60.921354 where: bonds (distance) C4'-P energy: -8.862 bonds (distance) P-C4' energy: -14.686 flat angles C4'-P-C4' energy: -11.923 flat angles P-C4'-P energy: -9.612 tors. eta vs tors. theta energy: -15.838 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: 5 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -182.105203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.105203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.105203 (E_RNA) where: Base-Base interactions energy: -125.024 where: short stacking energy: -50.845 Base-Backbone interact. energy: -0.047 local terms energy: -57.034030 where: bonds (distance) C4'-P energy: -11.098 bonds (distance) P-C4' energy: -12.479 flat angles C4'-P-C4' energy: -11.311 flat angles P-C4'-P energy: -6.977 tors. eta vs tors. theta energy: -15.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -185.810316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.810316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.810316 (E_RNA) where: Base-Base interactions energy: -131.865 where: short stacking energy: -53.784 Base-Backbone interact. energy: -0.021 local terms energy: -53.925169 where: bonds (distance) C4'-P energy: -9.184 bonds (distance) P-C4' energy: -8.576 flat angles C4'-P-C4' energy: -11.194 flat angles P-C4'-P energy: -10.399 tors. eta vs tors. theta energy: -14.572 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: 1 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -186.063634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.063634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.063634 (E_RNA) where: Base-Base interactions energy: -125.379 where: short stacking energy: -51.139 Base-Backbone interact. energy: -0.002 local terms energy: -60.683016 where: bonds (distance) C4'-P energy: -10.664 bonds (distance) P-C4' energy: -11.041 flat angles C4'-P-C4' energy: -14.127 flat angles P-C4'-P energy: -10.035 tors. eta vs tors. theta energy: -14.816 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: 464 Temperature: 1.250000 Total energy: -168.722584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.722584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.722584 (E_RNA) where: Base-Base interactions energy: -122.465 where: short stacking energy: -44.187 Base-Backbone interact. energy: -0.128 local terms energy: -46.129737 where: bonds (distance) C4'-P energy: -10.510 bonds (distance) P-C4' energy: -12.041 flat angles C4'-P-C4' energy: -8.785 flat angles P-C4'-P energy: -6.172 tors. eta vs tors. theta energy: -8.622 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: 3 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -76.056698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.056698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.056698 (E_RNA) where: Base-Base interactions energy: -32.930 where: short stacking energy: -22.485 Base-Backbone interact. energy: -0.719 local terms energy: -42.407715 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -14.420 flat angles C4'-P-C4' energy: -12.100 flat angles P-C4'-P energy: -6.995 tors. eta vs tors. theta energy: -0.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -65.412036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.412036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.412036 (E_RNA) where: Base-Base interactions energy: -27.447 where: short stacking energy: -25.849 Base-Backbone interact. energy: -0.776 local terms energy: -37.189060 where: bonds (distance) C4'-P energy: -7.041 bonds (distance) P-C4' energy: -10.243 flat angles C4'-P-C4' energy: -11.346 flat angles P-C4'-P energy: -5.003 tors. eta vs tors. theta energy: -3.555 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: 6 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -204.325841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.325841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.325841 (E_RNA) where: Base-Base interactions energy: -139.135 where: short stacking energy: -59.073 Base-Backbone interact. energy: -0.094 local terms energy: -65.096790 where: bonds (distance) C4'-P energy: -11.347 bonds (distance) P-C4' energy: -13.349 flat angles C4'-P-C4' energy: -13.651 flat angles P-C4'-P energy: -10.016 tors. eta vs tors. theta energy: -16.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -192.910278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.910278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.910278 (E_RNA) where: Base-Base interactions energy: -138.238 where: short stacking energy: -59.536 Base-Backbone interact. energy: -0.164 local terms energy: -54.508348 where: bonds (distance) C4'-P energy: -9.972 bonds (distance) P-C4' energy: -12.128 flat angles C4'-P-C4' energy: -11.932 flat angles P-C4'-P energy: -9.985 tors. eta vs tors. theta energy: -10.491 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: 3, replica: 10 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -200.165391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.165391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.165391 (E_RNA) where: Base-Base interactions energy: -135.128 where: short stacking energy: -55.428 Base-Backbone interact. energy: -0.093 local terms energy: -64.943622 where: bonds (distance) C4'-P energy: -11.421 bonds (distance) P-C4' energy: -12.373 flat angles C4'-P-C4' energy: -13.712 flat angles P-C4'-P energy: -8.512 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: 4, replica: 9 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -197.390286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.390286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.390286 (E_RNA) where: Base-Base interactions energy: -137.614 where: short stacking energy: -53.647 Base-Backbone interact. energy: -0.065 local terms energy: -59.710601 where: bonds (distance) C4'-P energy: -12.254 bonds (distance) P-C4' energy: -11.721 flat angles C4'-P-C4' energy: -12.327 flat angles P-C4'-P energy: -6.637 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: 5, replica: 5 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -182.017468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.017468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.017468 (E_RNA) where: Base-Base interactions energy: -125.891 where: short stacking energy: -51.170 Base-Backbone interact. energy: -0.010 local terms energy: -56.116341 where: bonds (distance) C4'-P energy: -12.700 bonds (distance) P-C4' energy: -10.520 flat angles C4'-P-C4' energy: -10.540 flat angles P-C4'-P energy: -8.524 tors. eta vs tors. theta energy: -13.832 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: 6, replica: 1 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -178.586239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.586239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.586239 (E_RNA) where: Base-Base interactions energy: -121.783 where: short stacking energy: -45.979 Base-Backbone interact. energy: 0.272 local terms energy: -57.075236 where: bonds (distance) C4'-P energy: -10.035 bonds (distance) P-C4' energy: -14.423 flat angles C4'-P-C4' energy: -13.471 flat angles P-C4'-P energy: -8.032 tors. eta vs tors. theta energy: -11.115 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: 7 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -183.024532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.024532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.024532 (E_RNA) where: Base-Base interactions energy: -119.597 where: short stacking energy: -59.288 Base-Backbone interact. energy: 0.247 local terms energy: -63.674448 where: bonds (distance) C4'-P energy: -10.442 bonds (distance) P-C4' energy: -12.114 flat angles C4'-P-C4' energy: -13.930 flat angles P-C4'-P energy: -9.534 tors. eta vs tors. theta energy: -17.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -174.950602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.950602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.950602 (E_RNA) where: Base-Base interactions energy: -117.568 where: short stacking energy: -48.077 Base-Backbone interact. energy: -0.093 local terms energy: -57.289853 where: bonds (distance) C4'-P energy: -12.608 bonds (distance) P-C4' energy: -7.608 flat angles C4'-P-C4' energy: -12.985 flat angles P-C4'-P energy: -9.903 tors. eta vs tors. theta energy: -14.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -70.923358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.923358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.923358 (E_RNA) where: Base-Base interactions energy: -26.994 where: short stacking energy: -26.851 Base-Backbone interact. energy: -0.043 local terms energy: -43.886600 where: bonds (distance) C4'-P energy: -11.458 bonds (distance) P-C4' energy: -12.660 flat angles C4'-P-C4' energy: -7.801 flat angles P-C4'-P energy: -5.059 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: 10, replica: 8 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -69.088266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.088266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.088266 (E_RNA) where: Base-Base interactions energy: -29.053 where: short stacking energy: -29.053 Base-Backbone interact. energy: -0.096 local terms energy: -39.939550 where: bonds (distance) C4'-P energy: -11.756 bonds (distance) P-C4' energy: -13.659 flat angles C4'-P-C4' energy: -8.426 flat angles P-C4'-P energy: -5.491 tors. eta vs tors. theta energy: -0.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -187.502574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.502574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.502574 (E_RNA) where: Base-Base interactions energy: -128.927 where: short stacking energy: -54.125 Base-Backbone interact. energy: -0.569 local terms energy: -58.007332 where: bonds (distance) C4'-P energy: -9.714 bonds (distance) P-C4' energy: -11.285 flat angles C4'-P-C4' energy: -12.921 flat angles P-C4'-P energy: -10.749 tors. eta vs tors. theta energy: -13.338 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: 6 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -200.297841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.297841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.297841 (E_RNA) where: Base-Base interactions energy: -132.482 where: short stacking energy: -59.443 Base-Backbone interact. energy: -0.273 local terms energy: -67.542339 where: bonds (distance) C4'-P energy: -11.028 bonds (distance) P-C4' energy: -14.327 flat angles C4'-P-C4' energy: -13.512 flat angles P-C4'-P energy: -12.232 tors. eta vs tors. theta energy: -16.444 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: 466 Temperature: 1.000000 Total energy: -199.647849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.647849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.647849 (E_RNA) where: Base-Base interactions energy: -136.540 where: short stacking energy: -53.159 Base-Backbone interact. energy: -0.004 local terms energy: -63.103109 where: bonds (distance) C4'-P energy: -14.563 bonds (distance) P-C4' energy: -14.100 flat angles C4'-P-C4' energy: -12.724 flat angles P-C4'-P energy: -8.104 tors. eta vs tors. theta energy: -13.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -196.153590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.153590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.153590 (E_RNA) where: Base-Base interactions energy: -134.569 where: short stacking energy: -57.182 Base-Backbone interact. energy: 0.703 local terms energy: -62.287389 where: bonds (distance) C4'-P energy: -12.459 bonds (distance) P-C4' energy: -9.463 flat angles C4'-P-C4' energy: -14.158 flat angles P-C4'-P energy: -9.588 tors. eta vs tors. theta energy: -16.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -179.466709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.466709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.466709 (E_RNA) where: Base-Base interactions energy: -124.397 where: short stacking energy: -50.777 Base-Backbone interact. energy: -0.048 local terms energy: -55.021893 where: bonds (distance) C4'-P energy: -12.961 bonds (distance) P-C4' energy: -11.469 flat angles C4'-P-C4' energy: -12.189 flat angles P-C4'-P energy: -6.400 tors. eta vs tors. theta energy: -12.003 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: 1 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -175.936430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.936430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.936430 (E_RNA) where: Base-Base interactions energy: -115.933 where: short stacking energy: -55.193 Base-Backbone interact. energy: 0.140 local terms energy: -60.143447 where: bonds (distance) C4'-P energy: -10.841 bonds (distance) P-C4' energy: -14.364 flat angles C4'-P-C4' energy: -11.843 flat angles P-C4'-P energy: -7.473 tors. eta vs tors. theta energy: -15.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -174.447879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.447879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.447879 (E_RNA) where: Base-Base interactions energy: -119.885 where: short stacking energy: -57.678 Base-Backbone interact. energy: -0.155 local terms energy: -54.407272 where: bonds (distance) C4'-P energy: -6.644 bonds (distance) P-C4' energy: -11.034 flat angles C4'-P-C4' energy: -14.523 flat angles P-C4'-P energy: -8.749 tors. eta vs tors. theta energy: -13.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -170.738004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.738004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.738004 (E_RNA) where: Base-Base interactions energy: -121.142 where: short stacking energy: -50.131 Base-Backbone interact. energy: -0.088 local terms energy: -49.508196 where: bonds (distance) C4'-P energy: -8.693 bonds (distance) P-C4' energy: -11.450 flat angles C4'-P-C4' energy: -7.356 flat angles P-C4'-P energy: -6.427 tors. eta vs tors. theta energy: -15.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -67.427660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.427660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.427660 (E_RNA) where: Base-Base interactions energy: -26.926 where: short stacking energy: -20.208 Base-Backbone interact. energy: -0.052 local terms energy: -40.449955 where: bonds (distance) C4'-P energy: -12.609 bonds (distance) P-C4' energy: -5.704 flat angles C4'-P-C4' energy: -10.684 flat angles P-C4'-P energy: -4.336 tors. eta vs tors. theta energy: -7.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -78.159218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.159218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.159218 (E_RNA) where: Base-Base interactions energy: -30.577 where: short stacking energy: -30.577 Base-Backbone interact. energy: -0.014 local terms energy: -47.569041 where: bonds (distance) C4'-P energy: -13.090 bonds (distance) P-C4' energy: -11.828 flat angles C4'-P-C4' energy: -10.404 flat angles P-C4'-P energy: -10.443 tors. eta vs tors. theta energy: -1.805 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: 4 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -194.181272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.181272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.181272 (E_RNA) where: Base-Base interactions energy: -131.346 where: short stacking energy: -54.815 Base-Backbone interact. energy: -0.473 local terms energy: -62.362239 where: bonds (distance) C4'-P energy: -14.253 bonds (distance) P-C4' energy: -12.634 flat angles C4'-P-C4' energy: -13.161 flat angles P-C4'-P energy: -8.868 tors. eta vs tors. theta energy: -13.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -202.351679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.351679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.351679 (E_RNA) where: Base-Base interactions energy: -139.287 where: short stacking energy: -60.356 Base-Backbone interact. energy: -0.002 local terms energy: -63.062773 where: bonds (distance) C4'-P energy: -10.965 bonds (distance) P-C4' energy: -11.068 flat angles C4'-P-C4' energy: -14.159 flat angles P-C4'-P energy: -8.145 tors. eta vs tors. theta energy: -18.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -197.429070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.429070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.429070 (E_RNA) where: Base-Base interactions energy: -135.572 where: short stacking energy: -55.577 Base-Backbone interact. energy: -0.238 local terms energy: -61.619467 where: bonds (distance) C4'-P energy: -12.424 bonds (distance) P-C4' energy: -13.068 flat angles C4'-P-C4' energy: -11.250 flat angles P-C4'-P energy: -9.243 tors. eta vs tors. theta energy: -15.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -194.104455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.104455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.104455 (E_RNA) where: Base-Base interactions energy: -132.886 where: short stacking energy: -57.372 Base-Backbone interact. energy: -0.060 local terms energy: -61.158593 where: bonds (distance) C4'-P energy: -11.148 bonds (distance) P-C4' energy: -12.820 flat angles C4'-P-C4' energy: -13.156 flat angles P-C4'-P energy: -8.873 tors. eta vs tors. theta energy: -15.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -184.192885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.192885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.192885 (E_RNA) where: Base-Base interactions energy: -123.476 where: short stacking energy: -55.234 Base-Backbone interact. energy: 0.184 local terms energy: -60.901033 where: bonds (distance) C4'-P energy: -9.881 bonds (distance) P-C4' energy: -10.988 flat angles C4'-P-C4' energy: -12.961 flat angles P-C4'-P energy: -10.205 tors. eta vs tors. theta energy: -16.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -188.998990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.998990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.998990 (E_RNA) where: Base-Base interactions energy: -135.096 where: short stacking energy: -57.197 Base-Backbone interact. energy: -0.002 local terms energy: -53.901031 where: bonds (distance) C4'-P energy: -11.143 bonds (distance) P-C4' energy: -9.315 flat angles C4'-P-C4' energy: -12.754 flat angles P-C4'-P energy: -6.485 tors. eta vs tors. theta energy: -14.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -169.570638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.570638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.570638 (E_RNA) where: Base-Base interactions energy: -118.925 where: short stacking energy: -45.951 Base-Backbone interact. energy: -0.225 local terms energy: -50.420948 where: bonds (distance) C4'-P energy: -9.282 bonds (distance) P-C4' energy: -12.088 flat angles C4'-P-C4' energy: -9.995 flat angles P-C4'-P energy: -9.507 tors. eta vs tors. theta energy: -9.549 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: 7 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -152.337301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.337301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.337301 (E_RNA) where: Base-Base interactions energy: -102.357 where: short stacking energy: -33.520 Base-Backbone interact. energy: -0.838 local terms energy: -49.142801 where: bonds (distance) C4'-P energy: -9.546 bonds (distance) P-C4' energy: -10.905 flat angles C4'-P-C4' energy: -11.241 flat angles P-C4'-P energy: -7.829 tors. eta vs tors. theta energy: -9.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -72.567185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.567185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.567185 (E_RNA) where: Base-Base interactions energy: -24.636 where: short stacking energy: -24.636 Base-Backbone interact. energy: -0.044 local terms energy: -47.886772 where: bonds (distance) C4'-P energy: -13.569 bonds (distance) P-C4' energy: -11.856 flat angles C4'-P-C4' energy: -10.108 flat angles P-C4'-P energy: -6.020 tors. eta vs tors. theta energy: -6.334 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: 3 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -64.485147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.485147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.485147 (E_RNA) where: Base-Base interactions energy: -27.333 where: short stacking energy: -25.349 Base-Backbone interact. energy: -0.110 local terms energy: -37.041366 where: bonds (distance) C4'-P energy: -8.755 bonds (distance) P-C4' energy: -7.442 flat angles C4'-P-C4' energy: -9.257 flat angles P-C4'-P energy: -8.663 tors. eta vs tors. theta energy: -2.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -204.187436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.187436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.187436 (E_RNA) where: Base-Base interactions energy: -137.339 where: short stacking energy: -57.519 Base-Backbone interact. energy: -0.100 local terms energy: -66.747993 where: bonds (distance) C4'-P energy: -13.578 bonds (distance) P-C4' energy: -13.137 flat angles C4'-P-C4' energy: -14.402 flat angles P-C4'-P energy: -8.071 tors. eta vs tors. theta energy: -17.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -199.606826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.606826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.606826 (E_RNA) where: Base-Base interactions energy: -135.683 where: short stacking energy: -57.453 Base-Backbone interact. energy: -0.001 local terms energy: -63.923325 where: bonds (distance) C4'-P energy: -11.872 bonds (distance) P-C4' energy: -13.881 flat angles C4'-P-C4' energy: -14.070 flat angles P-C4'-P energy: -8.552 tors. eta vs tors. theta energy: -15.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -194.352299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.352299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.352299 (E_RNA) where: Base-Base interactions energy: -135.740 where: short stacking energy: -52.541 Base-Backbone interact. energy: -0.122 local terms energy: -58.489922 where: bonds (distance) C4'-P energy: -12.033 bonds (distance) P-C4' energy: -12.980 flat angles C4'-P-C4' energy: -9.592 flat angles P-C4'-P energy: -9.539 tors. eta vs tors. theta energy: -14.346 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: 4, replica: 6 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -197.140363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.140363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.140363 (E_RNA) where: Base-Base interactions energy: -134.846 where: short stacking energy: -58.217 Base-Backbone interact. energy: -0.000 local terms energy: -62.294264 where: bonds (distance) C4'-P energy: -12.335 bonds (distance) P-C4' energy: -15.107 flat angles C4'-P-C4' energy: -11.812 flat angles P-C4'-P energy: -8.537 tors. eta vs tors. theta energy: -14.503 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: 5 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -177.928847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.928847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.928847 (E_RNA) where: Base-Base interactions energy: -118.441 where: short stacking energy: -49.766 Base-Backbone interact. energy: -0.000 local terms energy: -59.487679 where: bonds (distance) C4'-P energy: -12.240 bonds (distance) P-C4' energy: -12.621 flat angles C4'-P-C4' energy: -13.483 flat angles P-C4'-P energy: -6.480 tors. eta vs tors. theta energy: -14.664 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: 468 Temperature: 1.150000 Total energy: -179.652224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.652224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.652224 (E_RNA) where: Base-Base interactions energy: -118.868 where: short stacking energy: -53.505 Base-Backbone interact. energy: -0.002 local terms energy: -60.782413 where: bonds (distance) C4'-P energy: -13.281 bonds (distance) P-C4' energy: -13.564 flat angles C4'-P-C4' energy: -13.566 flat angles P-C4'-P energy: -3.655 tors. eta vs tors. theta energy: -16.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -178.156118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.156118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.156118 (E_RNA) where: Base-Base interactions energy: -126.809 where: short stacking energy: -50.884 Base-Backbone interact. energy: -0.005 local terms energy: -51.341180 where: bonds (distance) C4'-P energy: -8.650 bonds (distance) P-C4' energy: -10.020 flat angles C4'-P-C4' energy: -11.950 flat angles P-C4'-P energy: -8.443 tors. eta vs tors. theta energy: -12.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -171.503329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.503329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.503329 (E_RNA) where: Base-Base interactions energy: -115.148 where: short stacking energy: -52.341 Base-Backbone interact. energy: -0.001 local terms energy: -56.354848 where: bonds (distance) C4'-P energy: -8.879 bonds (distance) P-C4' energy: -13.354 flat angles C4'-P-C4' energy: -10.326 flat angles P-C4'-P energy: -9.621 tors. eta vs tors. theta energy: -14.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -87.179361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.179361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.179361 (E_RNA) where: Base-Base interactions energy: -40.681 where: short stacking energy: -40.681 Base-Backbone interact. energy: -0.000 local terms energy: -46.497913 where: bonds (distance) C4'-P energy: -9.041 bonds (distance) P-C4' energy: -9.724 flat angles C4'-P-C4' energy: -11.856 flat angles P-C4'-P energy: -5.445 tors. eta vs tors. theta energy: -10.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -63.909428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.909428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.909428 (E_RNA) where: Base-Base interactions energy: -23.215 where: short stacking energy: -23.215 Base-Backbone interact. energy: -0.033 local terms energy: -40.661372 where: bonds (distance) C4'-P energy: -9.565 bonds (distance) P-C4' energy: -8.703 flat angles C4'-P-C4' energy: -11.183 flat angles P-C4'-P energy: -8.276 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: 1, replica: 9 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -202.829840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.829840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.829840 (E_RNA) where: Base-Base interactions energy: -139.063 where: short stacking energy: -58.075 Base-Backbone interact. energy: -0.100 local terms energy: -63.666691 where: bonds (distance) C4'-P energy: -12.362 bonds (distance) P-C4' energy: -14.572 flat angles C4'-P-C4' energy: -12.743 flat angles P-C4'-P energy: -6.597 tors. eta vs tors. theta energy: -17.393 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: 10 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -195.929367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.929367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.929367 (E_RNA) where: Base-Base interactions energy: -140.810 where: short stacking energy: -58.771 Base-Backbone interact. energy: -0.020 local terms energy: -55.099456 where: bonds (distance) C4'-P energy: -10.534 bonds (distance) P-C4' energy: -12.679 flat angles C4'-P-C4' energy: -11.409 flat angles P-C4'-P energy: -4.359 tors. eta vs tors. theta energy: -16.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -196.344257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.344257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.344257 (E_RNA) where: Base-Base interactions energy: -139.800 where: short stacking energy: -61.049 Base-Backbone interact. energy: -0.002 local terms energy: -56.542293 where: bonds (distance) C4'-P energy: -10.572 bonds (distance) P-C4' energy: -11.097 flat angles C4'-P-C4' energy: -13.219 flat angles P-C4'-P energy: -7.796 tors. eta vs tors. theta energy: -13.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -188.488601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.488601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.488601 (E_RNA) where: Base-Base interactions energy: -131.182 where: short stacking energy: -49.672 Base-Backbone interact. energy: -0.003 local terms energy: -57.303239 where: bonds (distance) C4'-P energy: -10.754 bonds (distance) P-C4' energy: -9.812 flat angles C4'-P-C4' energy: -12.652 flat angles P-C4'-P energy: -10.327 tors. eta vs tors. theta energy: -13.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -190.937836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.937836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.937836 (E_RNA) where: Base-Base interactions energy: -132.951 where: short stacking energy: -52.049 Base-Backbone interact. energy: -0.059 local terms energy: -57.927620 where: bonds (distance) C4'-P energy: -10.035 bonds (distance) P-C4' energy: -13.441 flat angles C4'-P-C4' energy: -13.090 flat angles P-C4'-P energy: -7.637 tors. eta vs tors. theta energy: -13.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -175.320912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.320912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.320912 (E_RNA) where: Base-Base interactions energy: -125.208 where: short stacking energy: -43.438 Base-Backbone interact. energy: -0.099 local terms energy: -50.014182 where: bonds (distance) C4'-P energy: -10.398 bonds (distance) P-C4' energy: -7.218 flat angles C4'-P-C4' energy: -10.507 flat angles P-C4'-P energy: -11.008 tors. eta vs tors. theta energy: -10.883 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: 1 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -180.792729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.792729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.792729 (E_RNA) where: Base-Base interactions energy: -127.843 where: short stacking energy: -50.095 Base-Backbone interact. energy: -0.005 local terms energy: -52.944509 where: bonds (distance) C4'-P energy: -13.090 bonds (distance) P-C4' energy: -11.647 flat angles C4'-P-C4' energy: -9.475 flat angles P-C4'-P energy: -6.442 tors. eta vs tors. theta energy: -12.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -181.663251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.663251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.663251 (E_RNA) where: Base-Base interactions energy: -121.261 where: short stacking energy: -53.467 Base-Backbone interact. energy: -0.000 local terms energy: -60.401413 where: bonds (distance) C4'-P energy: -13.469 bonds (distance) P-C4' energy: -13.435 flat angles C4'-P-C4' energy: -13.262 flat angles P-C4'-P energy: -3.231 tors. eta vs tors. theta energy: -17.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -69.930229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.930229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.930229 (E_RNA) where: Base-Base interactions energy: -21.616 where: short stacking energy: -20.562 Base-Backbone interact. energy: 0.701 local terms energy: -49.015613 where: bonds (distance) C4'-P energy: -12.672 bonds (distance) P-C4' energy: -12.849 flat angles C4'-P-C4' energy: -11.504 flat angles P-C4'-P energy: -7.680 tors. eta vs tors. theta energy: -4.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -68.612718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.612718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.612718 (E_RNA) where: Base-Base interactions energy: -23.284 where: short stacking energy: -23.284 Base-Backbone interact. energy: -0.535 local terms energy: -44.794281 where: bonds (distance) C4'-P energy: -10.142 bonds (distance) P-C4' energy: -12.445 flat angles C4'-P-C4' energy: -10.515 flat angles P-C4'-P energy: -9.814 tors. eta vs tors. theta energy: -1.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -201.906492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.906492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.906492 (E_RNA) where: Base-Base interactions energy: -139.952 where: short stacking energy: -60.568 Base-Backbone interact. energy: -0.083 local terms energy: -61.871737 where: bonds (distance) C4'-P energy: -9.591 bonds (distance) P-C4' energy: -14.864 flat angles C4'-P-C4' energy: -10.257 flat angles P-C4'-P energy: -9.221 tors. eta vs tors. theta energy: -17.939 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: 9 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -192.375088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.375088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.375088 (E_RNA) where: Base-Base interactions energy: -128.556 where: short stacking energy: -51.954 Base-Backbone interact. energy: -0.042 local terms energy: -63.776822 where: bonds (distance) C4'-P energy: -11.280 bonds (distance) P-C4' energy: -13.264 flat angles C4'-P-C4' energy: -12.685 flat angles P-C4'-P energy: -11.416 tors. eta vs tors. theta energy: -15.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -197.582609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.582609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.582609 (E_RNA) where: Base-Base interactions energy: -134.929 where: short stacking energy: -59.516 Base-Backbone interact. energy: -0.887 local terms energy: -61.766296 where: bonds (distance) C4'-P energy: -13.582 bonds (distance) P-C4' energy: -10.499 flat angles C4'-P-C4' energy: -11.608 flat angles P-C4'-P energy: -12.245 tors. eta vs tors. theta energy: -13.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -191.603514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.603514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.603514 (E_RNA) where: Base-Base interactions energy: -137.277 where: short stacking energy: -58.813 Base-Backbone interact. energy: -0.012 local terms energy: -54.314792 where: bonds (distance) C4'-P energy: -8.278 bonds (distance) P-C4' energy: -13.018 flat angles C4'-P-C4' energy: -10.758 flat angles P-C4'-P energy: -7.522 tors. eta vs tors. theta energy: -14.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -180.953693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.953693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.953693 (E_RNA) where: Base-Base interactions energy: -122.634 where: short stacking energy: -50.699 Base-Backbone interact. energy: -0.008 local terms energy: -58.312275 where: bonds (distance) C4'-P energy: -10.754 bonds (distance) P-C4' energy: -14.557 flat angles C4'-P-C4' energy: -10.829 flat angles P-C4'-P energy: -7.016 tors. eta vs tors. theta energy: -15.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -160.435646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.435646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.435646 (E_RNA) where: Base-Base interactions energy: -112.355 where: short stacking energy: -49.064 Base-Backbone interact. energy: -0.095 local terms energy: -47.985540 where: bonds (distance) C4'-P energy: -10.416 bonds (distance) P-C4' energy: -10.661 flat angles C4'-P-C4' energy: -8.512 flat angles P-C4'-P energy: -8.449 tors. eta vs tors. theta energy: -9.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -181.886116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.886116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.886116 (E_RNA) where: Base-Base interactions energy: -124.640 where: short stacking energy: -53.020 Base-Backbone interact. energy: -0.287 local terms energy: -56.959768 where: bonds (distance) C4'-P energy: -11.801 bonds (distance) P-C4' energy: -12.592 flat angles C4'-P-C4' energy: -10.497 flat angles P-C4'-P energy: -8.997 tors. eta vs tors. theta energy: -13.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -157.900196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.900196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.900196 (E_RNA) where: Base-Base interactions energy: -110.262 where: short stacking energy: -39.895 Base-Backbone interact. energy: -0.823 local terms energy: -46.814898 where: bonds (distance) C4'-P energy: -9.885 bonds (distance) P-C4' energy: -11.715 flat angles C4'-P-C4' energy: -11.242 flat angles P-C4'-P energy: -4.026 tors. eta vs tors. theta energy: -9.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -67.369771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.369771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.369771 (E_RNA) where: Base-Base interactions energy: -24.739 where: short stacking energy: -21.518 Base-Backbone interact. energy: -0.127 local terms energy: -42.503785 where: bonds (distance) C4'-P energy: -11.243 bonds (distance) P-C4' energy: -12.401 flat angles C4'-P-C4' energy: -14.554 flat angles P-C4'-P energy: -5.458 tors. eta vs tors. theta energy: 1.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -96.311395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.311395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.311395 (E_RNA) where: Base-Base interactions energy: -44.978 where: short stacking energy: -24.930 Base-Backbone interact. energy: -0.211 local terms energy: -51.122916 where: bonds (distance) C4'-P energy: -13.636 bonds (distance) P-C4' energy: -11.349 flat angles C4'-P-C4' energy: -12.626 flat angles P-C4'-P energy: -8.867 tors. eta vs tors. theta energy: -4.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -198.880505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.880505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.880505 (E_RNA) where: Base-Base interactions energy: -139.449 where: short stacking energy: -62.960 Base-Backbone interact. energy: -0.001 local terms energy: -59.430691 where: bonds (distance) C4'-P energy: -11.400 bonds (distance) P-C4' energy: -13.306 flat angles C4'-P-C4' energy: -12.310 flat angles P-C4'-P energy: -6.426 tors. eta vs tors. theta energy: -15.989 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: 5 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -203.891756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.891756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.891756 (E_RNA) where: Base-Base interactions energy: -142.564 where: short stacking energy: -59.102 Base-Backbone interact. energy: -0.000 local terms energy: -61.327518 where: bonds (distance) C4'-P energy: -10.909 bonds (distance) P-C4' energy: -14.442 flat angles C4'-P-C4' energy: -12.043 flat angles P-C4'-P energy: -7.096 tors. eta vs tors. theta energy: -16.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -180.164167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.164167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.164167 (E_RNA) where: Base-Base interactions energy: -124.161 where: short stacking energy: -49.585 Base-Backbone interact. energy: 0.844 local terms energy: -56.847460 where: bonds (distance) C4'-P energy: -10.238 bonds (distance) P-C4' energy: -12.253 flat angles C4'-P-C4' energy: -14.081 flat angles P-C4'-P energy: -7.902 tors. eta vs tors. theta energy: -12.374 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: 6 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -181.128028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.128028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.128028 (E_RNA) where: Base-Base interactions energy: -124.314 where: short stacking energy: -51.288 Base-Backbone interact. energy: -0.020 local terms energy: -56.794003 where: bonds (distance) C4'-P energy: -4.744 bonds (distance) P-C4' energy: -13.916 flat angles C4'-P-C4' energy: -12.349 flat angles P-C4'-P energy: -9.651 tors. eta vs tors. theta energy: -16.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -174.460829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.460829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.460829 (E_RNA) where: Base-Base interactions energy: -120.053 where: short stacking energy: -45.053 Base-Backbone interact. energy: -0.060 local terms energy: -54.347952 where: bonds (distance) C4'-P energy: -11.160 bonds (distance) P-C4' energy: -10.802 flat angles C4'-P-C4' energy: -11.376 flat angles P-C4'-P energy: -9.638 tors. eta vs tors. theta energy: -11.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -196.888054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.888054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.888054 (E_RNA) where: Base-Base interactions energy: -132.592 where: short stacking energy: -54.839 Base-Backbone interact. energy: -0.004 local terms energy: -64.292251 where: bonds (distance) C4'-P energy: -13.806 bonds (distance) P-C4' energy: -11.972 flat angles C4'-P-C4' energy: -11.845 flat angles P-C4'-P energy: -11.401 tors. eta vs tors. theta energy: -15.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -174.105625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.105625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.105625 (E_RNA) where: Base-Base interactions energy: -126.269 where: short stacking energy: -49.100 Base-Backbone interact. energy: -0.002 local terms energy: -47.834719 where: bonds (distance) C4'-P energy: -9.066 bonds (distance) P-C4' energy: -8.573 flat angles C4'-P-C4' energy: -10.590 flat angles P-C4'-P energy: -7.316 tors. eta vs tors. theta energy: -12.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -169.065893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.065893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.065893 (E_RNA) where: Base-Base interactions energy: -119.035 where: short stacking energy: -52.056 Base-Backbone interact. energy: -0.085 local terms energy: -49.946124 where: bonds (distance) C4'-P energy: -6.804 bonds (distance) P-C4' energy: -10.523 flat angles C4'-P-C4' energy: -12.257 flat angles P-C4'-P energy: -8.210 tors. eta vs tors. theta energy: -12.152 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: 8 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -64.898045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.898045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.898045 (E_RNA) where: Base-Base interactions energy: -27.534 where: short stacking energy: -20.661 Base-Backbone interact. energy: -0.043 local terms energy: -37.320506 where: bonds (distance) C4'-P energy: -12.471 bonds (distance) P-C4' energy: -11.065 flat angles C4'-P-C4' energy: -11.106 flat angles P-C4'-P energy: -3.310 tors. eta vs tors. theta energy: 0.632 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: 3 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -69.319770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.319770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.319770 (E_RNA) where: Base-Base interactions energy: -32.509 where: short stacking energy: -10.423 Base-Backbone interact. energy: 2.149 local terms energy: -38.960151 where: bonds (distance) C4'-P energy: -12.779 bonds (distance) P-C4' energy: -13.028 flat angles C4'-P-C4' energy: -7.622 flat angles P-C4'-P energy: -6.713 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: 5 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -201.721779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.721779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.721779 (E_RNA) where: Base-Base interactions energy: -140.346 where: short stacking energy: -61.324 Base-Backbone interact. energy: -0.001 local terms energy: -61.375482 where: bonds (distance) C4'-P energy: -12.903 bonds (distance) P-C4' energy: -10.404 flat angles C4'-P-C4' energy: -14.003 flat angles P-C4'-P energy: -7.895 tors. eta vs tors. theta energy: -16.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -202.373906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.373906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.373906 (E_RNA) where: Base-Base interactions energy: -134.748 where: short stacking energy: -61.217 Base-Backbone interact. energy: -0.001 local terms energy: -67.624740 where: bonds (distance) C4'-P energy: -13.734 bonds (distance) P-C4' energy: -14.199 flat angles C4'-P-C4' energy: -13.050 flat angles P-C4'-P energy: -9.801 tors. eta vs tors. theta energy: -16.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -188.281152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.281152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.281152 (E_RNA) where: Base-Base interactions energy: -121.987 where: short stacking energy: -52.620 Base-Backbone interact. energy: -0.023 local terms energy: -66.270528 where: bonds (distance) C4'-P energy: -12.306 bonds (distance) P-C4' energy: -11.277 flat angles C4'-P-C4' energy: -14.982 flat angles P-C4'-P energy: -9.081 tors. eta vs tors. theta energy: -18.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -176.266080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.266080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.266080 (E_RNA) where: Base-Base interactions energy: -119.539 where: short stacking energy: -44.836 Base-Backbone interact. energy: -0.082 local terms energy: -56.644532 where: bonds (distance) C4'-P energy: -9.438 bonds (distance) P-C4' energy: -14.551 flat angles C4'-P-C4' energy: -11.194 flat angles P-C4'-P energy: -7.363 tors. eta vs tors. theta energy: -14.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -186.272620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.272620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.272620 (E_RNA) where: Base-Base interactions energy: -126.626 where: short stacking energy: -60.126 Base-Backbone interact. energy: -0.242 local terms energy: -59.404564 where: bonds (distance) C4'-P energy: -14.224 bonds (distance) P-C4' energy: -12.825 flat angles C4'-P-C4' energy: -11.480 flat angles P-C4'-P energy: -8.770 tors. eta vs tors. theta energy: -12.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -186.084287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.084287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.084287 (E_RNA) where: Base-Base interactions energy: -138.263 where: short stacking energy: -59.351 Base-Backbone interact. energy: -0.003 local terms energy: -47.817912 where: bonds (distance) C4'-P energy: -6.467 bonds (distance) P-C4' energy: -10.586 flat angles C4'-P-C4' energy: -5.991 flat angles P-C4'-P energy: -7.395 tors. eta vs tors. theta energy: -17.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -174.855666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.855666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.855666 (E_RNA) where: Base-Base interactions energy: -117.789 where: short stacking energy: -46.996 Base-Backbone interact. energy: -0.099 local terms energy: -56.967510 where: bonds (distance) C4'-P energy: -9.918 bonds (distance) P-C4' energy: -12.553 flat angles C4'-P-C4' energy: -13.130 flat angles P-C4'-P energy: -8.532 tors. eta vs tors. theta energy: -12.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -171.404925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.404925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.404925 (E_RNA) where: Base-Base interactions energy: -110.660 where: short stacking energy: -44.794 Base-Backbone interact. energy: -0.029 local terms energy: -60.716621 where: bonds (distance) C4'-P energy: -13.826 bonds (distance) P-C4' energy: -13.209 flat angles C4'-P-C4' energy: -12.110 flat angles P-C4'-P energy: -8.033 tors. eta vs tors. theta energy: -13.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -70.838568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.838568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.838568 (E_RNA) where: Base-Base interactions energy: -28.734 where: short stacking energy: -19.118 Base-Backbone interact. energy: -0.099 local terms energy: -42.005970 where: bonds (distance) C4'-P energy: -9.715 bonds (distance) P-C4' energy: -10.861 flat angles C4'-P-C4' energy: -9.008 flat angles P-C4'-P energy: -7.323 tors. eta vs tors. theta energy: -5.099 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: 8 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -66.557281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.557281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.557281 (E_RNA) where: Base-Base interactions energy: -29.302 where: short stacking energy: -29.302 Base-Backbone interact. energy: -0.125 local terms energy: -37.130461 where: bonds (distance) C4'-P energy: -6.837 bonds (distance) P-C4' energy: -12.363 flat angles C4'-P-C4' energy: -8.082 flat angles P-C4'-P energy: -9.193 tors. eta vs tors. theta energy: -0.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -200.863016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.863016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.863016 (E_RNA) where: Base-Base interactions energy: -135.256 where: short stacking energy: -53.203 Base-Backbone interact. energy: -1.416 local terms energy: -64.190767 where: bonds (distance) C4'-P energy: -11.993 bonds (distance) P-C4' energy: -11.828 flat angles C4'-P-C4' energy: -12.691 flat angles P-C4'-P energy: -11.109 tors. eta vs tors. theta energy: -16.571 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: 2, replica: 10 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -201.518082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.518082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.518082 (E_RNA) where: Base-Base interactions energy: -137.129 where: short stacking energy: -58.264 Base-Backbone interact. energy: -0.908 local terms energy: -63.480629 where: bonds (distance) C4'-P energy: -10.274 bonds (distance) P-C4' energy: -13.539 flat angles C4'-P-C4' energy: -12.532 flat angles P-C4'-P energy: -10.553 tors. eta vs tors. theta energy: -16.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -191.666188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.666188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.666188 (E_RNA) where: Base-Base interactions energy: -127.277 where: short stacking energy: -50.066 Base-Backbone interact. energy: -0.088 local terms energy: -64.300294 where: bonds (distance) C4'-P energy: -12.084 bonds (distance) P-C4' energy: -12.331 flat angles C4'-P-C4' energy: -14.456 flat angles P-C4'-P energy: -8.727 tors. eta vs tors. theta energy: -16.702 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: 4 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -190.855794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.855794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.855794 (E_RNA) where: Base-Base interactions energy: -131.316 where: short stacking energy: -50.670 Base-Backbone interact. energy: -0.007 local terms energy: -59.532337 where: bonds (distance) C4'-P energy: -12.964 bonds (distance) P-C4' energy: -12.304 flat angles C4'-P-C4' energy: -11.469 flat angles P-C4'-P energy: -8.648 tors. eta vs tors. theta energy: -14.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -180.198819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.198819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.198819 (E_RNA) where: Base-Base interactions energy: -117.743 where: short stacking energy: -47.305 Base-Backbone interact. energy: -0.270 local terms energy: -62.186101 where: bonds (distance) C4'-P energy: -14.332 bonds (distance) P-C4' energy: -14.632 flat angles C4'-P-C4' energy: -12.461 flat angles P-C4'-P energy: -9.345 tors. eta vs tors. theta energy: -11.416 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: 473 Temperature: 1.150000 Total energy: -187.103039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.103039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.103039 (E_RNA) where: Base-Base interactions energy: -129.698 where: short stacking energy: -53.198 Base-Backbone interact. energy: -0.008 local terms energy: -57.397149 where: bonds (distance) C4'-P energy: -8.151 bonds (distance) P-C4' energy: -11.693 flat angles C4'-P-C4' energy: -13.591 flat angles P-C4'-P energy: -8.247 tors. eta vs tors. theta energy: -15.715 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: 2 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -180.153334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.153334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.153334 (E_RNA) where: Base-Base interactions energy: -126.543 where: short stacking energy: -46.421 Base-Backbone interact. energy: -0.000 local terms energy: -53.610258 where: bonds (distance) C4'-P energy: -10.228 bonds (distance) P-C4' energy: -11.415 flat angles C4'-P-C4' energy: -11.511 flat angles P-C4'-P energy: -6.093 tors. eta vs tors. theta energy: -14.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -169.931942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.931942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.931942 (E_RNA) where: Base-Base interactions energy: -114.946 where: short stacking energy: -48.698 Base-Backbone interact. energy: -0.011 local terms energy: -54.974760 where: bonds (distance) C4'-P energy: -13.338 bonds (distance) P-C4' energy: -9.837 flat angles C4'-P-C4' energy: -11.991 flat angles P-C4'-P energy: -9.377 tors. eta vs tors. theta energy: -10.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -69.554695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.554695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.554695 (E_RNA) where: Base-Base interactions energy: -29.444 where: short stacking energy: -29.444 Base-Backbone interact. energy: -0.050 local terms energy: -40.060850 where: bonds (distance) C4'-P energy: -6.921 bonds (distance) P-C4' energy: -9.270 flat angles C4'-P-C4' energy: -14.324 flat angles P-C4'-P energy: -6.682 tors. eta vs tors. theta energy: -2.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -58.392387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.392387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.392387 (E_RNA) where: Base-Base interactions energy: -14.998 where: short stacking energy: -14.998 Base-Backbone interact. energy: -0.259 local terms energy: -43.135218 where: bonds (distance) C4'-P energy: -13.250 bonds (distance) P-C4' energy: -11.826 flat angles C4'-P-C4' energy: -11.530 flat angles P-C4'-P energy: -5.477 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: 10 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -199.883228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.883228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.883228 (E_RNA) where: Base-Base interactions energy: -139.308 where: short stacking energy: -62.391 Base-Backbone interact. energy: -0.001 local terms energy: -60.574558 where: bonds (distance) C4'-P energy: -10.604 bonds (distance) P-C4' energy: -14.628 flat angles C4'-P-C4' energy: -11.190 flat angles P-C4'-P energy: -8.904 tors. eta vs tors. theta energy: -15.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -197.729731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.729731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.729731 (E_RNA) where: Base-Base interactions energy: -134.459 where: short stacking energy: -54.991 Base-Backbone interact. energy: -0.006 local terms energy: -63.264724 where: bonds (distance) C4'-P energy: -11.452 bonds (distance) P-C4' energy: -13.529 flat angles C4'-P-C4' energy: -13.909 flat angles P-C4'-P energy: -11.467 tors. eta vs tors. theta energy: -12.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -194.244042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.244042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.244042 (E_RNA) where: Base-Base interactions energy: -134.115 where: short stacking energy: -57.388 Base-Backbone interact. energy: -0.047 local terms energy: -60.082566 where: bonds (distance) C4'-P energy: -11.961 bonds (distance) P-C4' energy: -12.814 flat angles C4'-P-C4' energy: -12.244 flat angles P-C4'-P energy: -9.151 tors. eta vs tors. theta energy: -13.913 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: 4 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -187.137961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.137961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.137961 (E_RNA) where: Base-Base interactions energy: -131.365 where: short stacking energy: -56.611 Base-Backbone interact. energy: -0.106 local terms energy: -55.667006 where: bonds (distance) C4'-P energy: -8.282 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -13.877 flat angles P-C4'-P energy: -9.706 tors. eta vs tors. theta energy: -14.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -190.229130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.229130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.229130 (E_RNA) where: Base-Base interactions energy: -130.403 where: short stacking energy: -56.565 Base-Backbone interact. energy: -0.001 local terms energy: -59.824644 where: bonds (distance) C4'-P energy: -11.416 bonds (distance) P-C4' energy: -10.414 flat angles C4'-P-C4' energy: -13.120 flat angles P-C4'-P energy: -8.934 tors. eta vs tors. theta energy: -15.941 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: 9 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -179.842671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.842671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.842671 (E_RNA) where: Base-Base interactions energy: -118.752 where: short stacking energy: -42.896 Base-Backbone interact. energy: -0.007 local terms energy: -61.083612 where: bonds (distance) C4'-P energy: -10.771 bonds (distance) P-C4' energy: -15.100 flat angles C4'-P-C4' energy: -11.673 flat angles P-C4'-P energy: -8.454 tors. eta vs tors. theta energy: -15.085 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: 7, replica: 7 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -187.710682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.710682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.710682 (E_RNA) where: Base-Base interactions energy: -128.373 where: short stacking energy: -53.596 Base-Backbone interact. energy: -0.001 local terms energy: -59.337173 where: bonds (distance) C4'-P energy: -12.662 bonds (distance) P-C4' energy: -12.628 flat angles C4'-P-C4' energy: -9.913 flat angles P-C4'-P energy: -9.003 tors. eta vs tors. theta energy: -15.131 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: 474 Temperature: 1.250000 Total energy: -167.823678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.823678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.823678 (E_RNA) where: Base-Base interactions energy: -117.064 where: short stacking energy: -46.748 Base-Backbone interact. energy: -0.644 local terms energy: -50.115952 where: bonds (distance) C4'-P energy: -10.961 bonds (distance) P-C4' energy: -13.395 flat angles C4'-P-C4' energy: -8.938 flat angles P-C4'-P energy: -5.476 tors. eta vs tors. theta energy: -11.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -66.203345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.203345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.203345 (E_RNA) where: Base-Base interactions energy: -22.251 where: short stacking energy: -19.003 Base-Backbone interact. energy: -0.132 local terms energy: -43.820681 where: bonds (distance) C4'-P energy: -10.737 bonds (distance) P-C4' energy: -11.781 flat angles C4'-P-C4' energy: -8.617 flat angles P-C4'-P energy: -9.239 tors. eta vs tors. theta energy: -3.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -63.769813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.769813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.769813 (E_RNA) where: Base-Base interactions energy: -20.480 where: short stacking energy: -17.363 Base-Backbone interact. energy: 0.538 local terms energy: -43.827890 where: bonds (distance) C4'-P energy: -11.509 bonds (distance) P-C4' energy: -11.674 flat angles C4'-P-C4' energy: -10.619 flat angles P-C4'-P energy: -7.789 tors. eta vs tors. theta energy: -2.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -203.178717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.178717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.178717 (E_RNA) where: Base-Base interactions energy: -139.465 where: short stacking energy: -58.378 Base-Backbone interact. energy: -0.251 local terms energy: -63.463323 where: bonds (distance) C4'-P energy: -13.086 bonds (distance) P-C4' energy: -13.250 flat angles C4'-P-C4' energy: -12.931 flat angles P-C4'-P energy: -5.933 tors. eta vs tors. theta energy: -18.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -190.530579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.530579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.530579 (E_RNA) where: Base-Base interactions energy: -134.727 where: short stacking energy: -52.786 Base-Backbone interact. energy: -0.400 local terms energy: -55.403856 where: bonds (distance) C4'-P energy: -11.694 bonds (distance) P-C4' energy: -11.696 flat angles C4'-P-C4' energy: -8.428 flat angles P-C4'-P energy: -8.864 tors. eta vs tors. theta energy: -14.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -187.322522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.322522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.322522 (E_RNA) where: Base-Base interactions energy: -127.430 where: short stacking energy: -50.068 Base-Backbone interact. energy: -0.070 local terms energy: -59.823088 where: bonds (distance) C4'-P energy: -14.501 bonds (distance) P-C4' energy: -11.628 flat angles C4'-P-C4' energy: -13.307 flat angles P-C4'-P energy: -8.490 tors. eta vs tors. theta energy: -11.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -196.753423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.753423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.753423 (E_RNA) where: Base-Base interactions energy: -135.346 where: short stacking energy: -56.450 Base-Backbone interact. energy: -0.842 local terms energy: -60.565569 where: bonds (distance) C4'-P energy: -11.573 bonds (distance) P-C4' energy: -13.687 flat angles C4'-P-C4' energy: -10.364 flat angles P-C4'-P energy: -10.331 tors. eta vs tors. theta energy: -14.610 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: 4 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -177.538719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.538719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.538719 (E_RNA) where: Base-Base interactions energy: -116.324 where: short stacking energy: -45.051 Base-Backbone interact. energy: -0.128 local terms energy: -61.085863 where: bonds (distance) C4'-P energy: -11.608 bonds (distance) P-C4' energy: -14.839 flat angles C4'-P-C4' energy: -13.354 flat angles P-C4'-P energy: -8.722 tors. eta vs tors. theta energy: -12.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -186.951351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.951351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.951351 (E_RNA) where: Base-Base interactions energy: -130.928 where: short stacking energy: -50.877 Base-Backbone interact. energy: 2.357 local terms energy: -58.379449 where: bonds (distance) C4'-P energy: -4.417 bonds (distance) P-C4' energy: -13.304 flat angles C4'-P-C4' energy: -12.940 flat angles P-C4'-P energy: -11.356 tors. eta vs tors. theta energy: -16.363 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: 7, replica: 9 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -190.036871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.036871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.036871 (E_RNA) where: Base-Base interactions energy: -124.168 where: short stacking energy: -53.713 Base-Backbone interact. energy: -0.281 local terms energy: -65.588151 where: bonds (distance) C4'-P energy: -11.896 bonds (distance) P-C4' energy: -13.836 flat angles C4'-P-C4' energy: -14.518 flat angles P-C4'-P energy: -10.122 tors. eta vs tors. theta energy: -15.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -67.036925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.036925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.036925 (E_RNA) where: Base-Base interactions energy: -27.095 where: short stacking energy: -23.861 Base-Backbone interact. energy: -0.062 local terms energy: -39.880456 where: bonds (distance) C4'-P energy: -9.760 bonds (distance) P-C4' energy: -9.330 flat angles C4'-P-C4' energy: -12.865 flat angles P-C4'-P energy: -5.082 tors. eta vs tors. theta energy: -2.844 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: 2 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -166.309439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.309439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.309439 (E_RNA) where: Base-Base interactions energy: -113.780 where: short stacking energy: -47.698 Base-Backbone interact. energy: -0.033 local terms energy: -52.495952 where: bonds (distance) C4'-P energy: -9.219 bonds (distance) P-C4' energy: -13.907 flat angles C4'-P-C4' energy: -12.041 flat angles P-C4'-P energy: -5.548 tors. eta vs tors. theta energy: -11.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -55.441550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.441550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.441550 (E_RNA) where: Base-Base interactions energy: -8.854 where: short stacking energy: -8.854 Base-Backbone interact. energy: -0.039 local terms energy: -46.548274 where: bonds (distance) C4'-P energy: -11.914 bonds (distance) P-C4' energy: -14.780 flat angles C4'-P-C4' energy: -11.136 flat angles P-C4'-P energy: -10.039 tors. eta vs tors. theta energy: 1.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -204.682619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.682619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.682619 (E_RNA) where: Base-Base interactions energy: -139.738 where: short stacking energy: -60.417 Base-Backbone interact. energy: -0.012 local terms energy: -64.932640 where: bonds (distance) C4'-P energy: -13.242 bonds (distance) P-C4' energy: -10.842 flat angles C4'-P-C4' energy: -15.199 flat angles P-C4'-P energy: -10.549 tors. eta vs tors. theta energy: -15.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -197.451749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.451749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.451749 (E_RNA) where: Base-Base interactions energy: -132.012 where: short stacking energy: -56.206 Base-Backbone interact. energy: -0.002 local terms energy: -65.437580 where: bonds (distance) C4'-P energy: -14.137 bonds (distance) P-C4' energy: -12.185 flat angles C4'-P-C4' energy: -12.817 flat angles P-C4'-P energy: -10.350 tors. eta vs tors. theta energy: -15.949 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: 476 Temperature: 1.000000 Total energy: -201.959115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.959115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.959115 (E_RNA) where: Base-Base interactions energy: -141.827 where: short stacking energy: -56.660 Base-Backbone interact. energy: -0.001 local terms energy: -60.130935 where: bonds (distance) C4'-P energy: -11.587 bonds (distance) P-C4' energy: -11.954 flat angles C4'-P-C4' energy: -13.974 flat angles P-C4'-P energy: -5.313 tors. eta vs tors. theta energy: -17.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -180.959216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.959216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.959216 (E_RNA) where: Base-Base interactions energy: -127.639 where: short stacking energy: -52.760 Base-Backbone interact. energy: -0.030 local terms energy: -53.289912 where: bonds (distance) C4'-P energy: -10.274 bonds (distance) P-C4' energy: -8.572 flat angles C4'-P-C4' energy: -13.484 flat angles P-C4'-P energy: -9.468 tors. eta vs tors. theta energy: -11.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -189.490306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.490306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.490306 (E_RNA) where: Base-Base interactions energy: -130.323 where: short stacking energy: -56.118 Base-Backbone interact. energy: -0.002 local terms energy: -59.165307 where: bonds (distance) C4'-P energy: -10.594 bonds (distance) P-C4' energy: -14.370 flat angles C4'-P-C4' energy: -10.007 flat angles P-C4'-P energy: -8.114 tors. eta vs tors. theta energy: -16.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -181.980208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.980208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.980208 (E_RNA) where: Base-Base interactions energy: -127.578 where: short stacking energy: -57.114 Base-Backbone interact. energy: -0.010 local terms energy: -54.392042 where: bonds (distance) C4'-P energy: -11.890 bonds (distance) P-C4' energy: -12.373 flat angles C4'-P-C4' energy: -10.286 flat angles P-C4'-P energy: -2.888 tors. eta vs tors. theta energy: -16.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -192.059015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.059015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.059015 (E_RNA) where: Base-Base interactions energy: -134.801 where: short stacking energy: -60.541 Base-Backbone interact. energy: 0.303 local terms energy: -57.561419 where: bonds (distance) C4'-P energy: -10.754 bonds (distance) P-C4' energy: -12.663 flat angles C4'-P-C4' energy: -10.476 flat angles P-C4'-P energy: -7.375 tors. eta vs tors. theta energy: -16.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -68.858819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.858819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.858819 (E_RNA) where: Base-Base interactions energy: -23.467 where: short stacking energy: -18.903 Base-Backbone interact. energy: 2.418 local terms energy: -47.809568 where: bonds (distance) C4'-P energy: -11.354 bonds (distance) P-C4' energy: -14.914 flat angles C4'-P-C4' energy: -12.460 flat angles P-C4'-P energy: -4.168 tors. eta vs tors. theta energy: -4.913 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: 2 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -173.463579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.463579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.463579 (E_RNA) where: Base-Base interactions energy: -120.028 where: short stacking energy: -47.847 Base-Backbone interact. energy: 0.898 local terms energy: -54.333592 where: bonds (distance) C4'-P energy: -8.975 bonds (distance) P-C4' energy: -14.874 flat angles C4'-P-C4' energy: -11.338 flat angles P-C4'-P energy: -7.909 tors. eta vs tors. theta energy: -11.237 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: 8 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -68.240232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.240232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.240232 (E_RNA) where: Base-Base interactions energy: -23.183 where: short stacking energy: -23.183 Base-Backbone interact. energy: -0.172 local terms energy: -44.885436 where: bonds (distance) C4'-P energy: -12.447 bonds (distance) P-C4' energy: -11.331 flat angles C4'-P-C4' energy: -8.678 flat angles P-C4'-P energy: -7.587 tors. eta vs tors. theta energy: -4.843 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: 10 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -204.387326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.387326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.387326 (E_RNA) where: Base-Base interactions energy: -138.160 where: short stacking energy: -59.572 Base-Backbone interact. energy: -0.001 local terms energy: -66.226428 where: bonds (distance) C4'-P energy: -12.369 bonds (distance) P-C4' energy: -13.758 flat angles C4'-P-C4' energy: -13.642 flat angles P-C4'-P energy: -7.672 tors. eta vs tors. theta energy: -18.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -198.624920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.624920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.624920 (E_RNA) where: Base-Base interactions energy: -134.300 where: short stacking energy: -57.172 Base-Backbone interact. energy: -0.030 local terms energy: -64.294493 where: bonds (distance) C4'-P energy: -14.385 bonds (distance) P-C4' energy: -13.405 flat angles C4'-P-C4' energy: -11.929 flat angles P-C4'-P energy: -7.875 tors. eta vs tors. theta energy: -16.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -203.410948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.410948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.410948 (E_RNA) where: Base-Base interactions energy: -138.549 where: short stacking energy: -57.372 Base-Backbone interact. energy: -0.000 local terms energy: -64.862002 where: bonds (distance) C4'-P energy: -14.244 bonds (distance) P-C4' energy: -12.368 flat angles C4'-P-C4' energy: -12.260 flat angles P-C4'-P energy: -7.696 tors. eta vs tors. theta energy: -18.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -201.160780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.160780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.160780 (E_RNA) where: Base-Base interactions energy: -138.991 where: short stacking energy: -56.838 Base-Backbone interact. energy: -0.090 local terms energy: -62.080046 where: bonds (distance) C4'-P energy: -13.790 bonds (distance) P-C4' energy: -12.391 flat angles C4'-P-C4' energy: -11.496 flat angles P-C4'-P energy: -7.641 tors. eta vs tors. theta energy: -16.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -183.175577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.175577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.175577 (E_RNA) where: Base-Base interactions energy: -121.251 where: short stacking energy: -50.111 Base-Backbone interact. energy: -1.901 local terms energy: -60.023652 where: bonds (distance) C4'-P energy: -14.021 bonds (distance) P-C4' energy: -11.271 flat angles C4'-P-C4' energy: -12.663 flat angles P-C4'-P energy: -10.296 tors. eta vs tors. theta energy: -11.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -191.635209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.635209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.635209 (E_RNA) where: Base-Base interactions energy: -130.374 where: short stacking energy: -54.842 Base-Backbone interact. energy: -0.042 local terms energy: -61.219235 where: bonds (distance) C4'-P energy: -10.921 bonds (distance) P-C4' energy: -13.516 flat angles C4'-P-C4' energy: -12.896 flat angles P-C4'-P energy: -6.252 tors. eta vs tors. theta energy: -17.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -167.975795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.975795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.975795 (E_RNA) where: Base-Base interactions energy: -117.020 where: short stacking energy: -47.246 Base-Backbone interact. energy: -0.133 local terms energy: -50.822250 where: bonds (distance) C4'-P energy: -13.532 bonds (distance) P-C4' energy: -13.730 flat angles C4'-P-C4' energy: -10.215 flat angles P-C4'-P energy: -1.831 tors. eta vs tors. theta energy: -11.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -181.189865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.189865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.189865 (E_RNA) where: Base-Base interactions energy: -125.036 where: short stacking energy: -48.670 Base-Backbone interact. energy: -0.398 local terms energy: -55.755923 where: bonds (distance) C4'-P energy: -12.166 bonds (distance) P-C4' energy: -14.184 flat angles C4'-P-C4' energy: -11.809 flat angles P-C4'-P energy: -7.557 tors. eta vs tors. theta energy: -10.040 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: 9, replica: 3 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -65.006933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.006933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.006933 (E_RNA) where: Base-Base interactions energy: -27.525 where: short stacking energy: -25.715 Base-Backbone interact. energy: -0.142 local terms energy: -37.339539 where: bonds (distance) C4'-P energy: -9.297 bonds (distance) P-C4' energy: -12.138 flat angles C4'-P-C4' energy: -9.860 flat angles P-C4'-P energy: -5.125 tors. eta vs tors. theta energy: -0.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -65.991422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.991422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.991422 (E_RNA) where: Base-Base interactions energy: -23.661 where: short stacking energy: -23.761 Base-Backbone interact. energy: 1.287 local terms energy: -43.617640 where: bonds (distance) C4'-P energy: -10.892 bonds (distance) P-C4' energy: -14.178 flat angles C4'-P-C4' energy: -8.296 flat angles P-C4'-P energy: -5.920 tors. eta vs tors. theta energy: -4.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -206.306985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.306985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.306985 (E_RNA) where: Base-Base interactions energy: -141.067 where: short stacking energy: -60.456 Base-Backbone interact. energy: -0.005 local terms energy: -65.235457 where: bonds (distance) C4'-P energy: -12.075 bonds (distance) P-C4' energy: -14.042 flat angles C4'-P-C4' energy: -12.071 flat angles P-C4'-P energy: -8.610 tors. eta vs tors. theta energy: -18.437 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: 2, replica: 10 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -199.201249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.201249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.201249 (E_RNA) where: Base-Base interactions energy: -132.760 where: short stacking energy: -55.765 Base-Backbone interact. energy: -0.101 local terms energy: -66.340253 where: bonds (distance) C4'-P energy: -13.310 bonds (distance) P-C4' energy: -12.147 flat angles C4'-P-C4' energy: -13.218 flat angles P-C4'-P energy: -9.235 tors. eta vs tors. theta energy: -18.431 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: 3, replica: 7 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -193.952553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.952553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.952553 (E_RNA) where: Base-Base interactions energy: -129.083 where: short stacking energy: -54.229 Base-Backbone interact. energy: -0.001 local terms energy: -64.869128 where: bonds (distance) C4'-P energy: -11.586 bonds (distance) P-C4' energy: -10.654 flat angles C4'-P-C4' energy: -13.659 flat angles P-C4'-P energy: -11.543 tors. eta vs tors. theta energy: -17.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -192.875382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.875382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.875382 (E_RNA) where: Base-Base interactions energy: -130.088 where: short stacking energy: -52.743 Base-Backbone interact. energy: -0.099 local terms energy: -62.687849 where: bonds (distance) C4'-P energy: -9.926 bonds (distance) P-C4' energy: -13.738 flat angles C4'-P-C4' energy: -13.481 flat angles P-C4'-P energy: -7.267 tors. eta vs tors. theta energy: -18.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -197.619394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.619394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.619394 (E_RNA) where: Base-Base interactions energy: -136.546 where: short stacking energy: -59.198 Base-Backbone interact. energy: -0.001 local terms energy: -61.072475 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -13.094 flat angles C4'-P-C4' energy: -14.148 flat angles P-C4'-P energy: -9.507 tors. eta vs tors. theta energy: -16.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -182.542321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.542321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.542321 (E_RNA) where: Base-Base interactions energy: -124.288 where: short stacking energy: -47.694 Base-Backbone interact. energy: -0.074 local terms energy: -58.180689 where: bonds (distance) C4'-P energy: -9.914 bonds (distance) P-C4' energy: -10.377 flat angles C4'-P-C4' energy: -14.108 flat angles P-C4'-P energy: -8.848 tors. eta vs tors. theta energy: -14.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -182.462303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.462303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.462303 (E_RNA) where: Base-Base interactions energy: -126.484 where: short stacking energy: -47.978 Base-Backbone interact. energy: -0.009 local terms energy: -55.969646 where: bonds (distance) C4'-P energy: -11.004 bonds (distance) P-C4' energy: -13.371 flat angles C4'-P-C4' energy: -13.151 flat angles P-C4'-P energy: -7.173 tors. eta vs tors. theta energy: -11.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -168.743898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.743898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.743898 (E_RNA) where: Base-Base interactions energy: -114.245 where: short stacking energy: -43.197 Base-Backbone interact. energy: -0.380 local terms energy: -54.119009 where: bonds (distance) C4'-P energy: -10.826 bonds (distance) P-C4' energy: -10.692 flat angles C4'-P-C4' energy: -12.849 flat angles P-C4'-P energy: -10.025 tors. eta vs tors. theta energy: -9.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -68.658052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.658052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.658052 (E_RNA) where: Base-Base interactions energy: -26.520 where: short stacking energy: -26.520 Base-Backbone interact. energy: -0.095 local terms energy: -42.043018 where: bonds (distance) C4'-P energy: -10.800 bonds (distance) P-C4' energy: -11.450 flat angles C4'-P-C4' energy: -7.890 flat angles P-C4'-P energy: -8.907 tors. eta vs tors. theta energy: -2.997 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: 3 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -57.590796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.590796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.590796 (E_RNA) where: Base-Base interactions energy: -21.231 where: short stacking energy: -21.184 Base-Backbone interact. energy: -0.012 local terms energy: -36.347539 where: bonds (distance) C4'-P energy: -11.500 bonds (distance) P-C4' energy: -8.726 flat angles C4'-P-C4' energy: -7.906 flat angles P-C4'-P energy: -6.036 tors. eta vs tors. theta energy: -2.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -203.051094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.051094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.051094 (E_RNA) where: Base-Base interactions energy: -136.475 where: short stacking energy: -57.552 Base-Backbone interact. energy: -0.123 local terms energy: -66.453409 where: bonds (distance) C4'-P energy: -14.314 bonds (distance) P-C4' energy: -13.397 flat angles C4'-P-C4' energy: -13.313 flat angles P-C4'-P energy: -8.376 tors. eta vs tors. theta energy: -17.053 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: 7 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -203.275101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.275101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.275101 (E_RNA) where: Base-Base interactions energy: -142.717 where: short stacking energy: -63.662 Base-Backbone interact. energy: -0.168 local terms energy: -60.390695 where: bonds (distance) C4'-P energy: -7.844 bonds (distance) P-C4' energy: -12.531 flat angles C4'-P-C4' energy: -13.525 flat angles P-C4'-P energy: -10.762 tors. eta vs tors. theta energy: -15.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -201.647390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.647390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.647390 (E_RNA) where: Base-Base interactions energy: -141.942 where: short stacking energy: -58.360 Base-Backbone interact. energy: -0.184 local terms energy: -59.522200 where: bonds (distance) C4'-P energy: -11.073 bonds (distance) P-C4' energy: -10.685 flat angles C4'-P-C4' energy: -13.540 flat angles P-C4'-P energy: -7.628 tors. eta vs tors. theta energy: -16.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -197.606716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.606716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.606716 (E_RNA) where: Base-Base interactions energy: -136.636 where: short stacking energy: -57.297 Base-Backbone interact. energy: -0.001 local terms energy: -60.969001 where: bonds (distance) C4'-P energy: -11.007 bonds (distance) P-C4' energy: -9.025 flat angles C4'-P-C4' energy: -12.168 flat angles P-C4'-P energy: -12.773 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: 5, replica: 6 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -188.577229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.577229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.577229 (E_RNA) where: Base-Base interactions energy: -127.556 where: short stacking energy: -48.933 Base-Backbone interact. energy: -0.067 local terms energy: -60.954143 where: bonds (distance) C4'-P energy: -10.986 bonds (distance) P-C4' energy: -12.170 flat angles C4'-P-C4' energy: -14.246 flat angles P-C4'-P energy: -7.603 tors. eta vs tors. theta energy: -15.949 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: 2 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -174.594189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.594189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.594189 (E_RNA) where: Base-Base interactions energy: -119.027 where: short stacking energy: -53.949 Base-Backbone interact. energy: -0.001 local terms energy: -55.566387 where: bonds (distance) C4'-P energy: -10.572 bonds (distance) P-C4' energy: -13.989 flat angles C4'-P-C4' energy: -12.210 flat angles P-C4'-P energy: -5.680 tors. eta vs tors. theta energy: -13.115 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: 479 Temperature: 1.200000 Total energy: -182.843374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.843374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.843374 (E_RNA) where: Base-Base interactions energy: -132.701 where: short stacking energy: -55.284 Base-Backbone interact. energy: -0.003 local terms energy: -50.139636 where: bonds (distance) C4'-P energy: -9.567 bonds (distance) P-C4' energy: -10.979 flat angles C4'-P-C4' energy: -7.219 flat angles P-C4'-P energy: -9.344 tors. eta vs tors. theta energy: -13.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -169.277630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.277630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.277630 (E_RNA) where: Base-Base interactions energy: -113.944 where: short stacking energy: -43.304 Base-Backbone interact. energy: -0.239 local terms energy: -55.095006 where: bonds (distance) C4'-P energy: -9.756 bonds (distance) P-C4' energy: -14.787 flat angles C4'-P-C4' energy: -11.992 flat angles P-C4'-P energy: -6.767 tors. eta vs tors. theta energy: -11.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -63.011244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.011244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.011244 (E_RNA) where: Base-Base interactions energy: -23.472 where: short stacking energy: -16.282 Base-Backbone interact. energy: -0.882 local terms energy: -38.656371 where: bonds (distance) C4'-P energy: -9.348 bonds (distance) P-C4' energy: -11.905 flat angles C4'-P-C4' energy: -5.170 flat angles P-C4'-P energy: -8.447 tors. eta vs tors. theta energy: -3.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -71.141343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.141343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.141343 (E_RNA) where: Base-Base interactions energy: -30.975 where: short stacking energy: -30.975 Base-Backbone interact. energy: -0.014 local terms energy: -40.152410 where: bonds (distance) C4'-P energy: -12.005 bonds (distance) P-C4' energy: -9.787 flat angles C4'-P-C4' energy: -9.781 flat angles P-C4'-P energy: -3.756 tors. eta vs tors. theta energy: -4.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -206.088242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.088242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.088242 (E_RNA) where: Base-Base interactions energy: -138.914 where: short stacking energy: -59.409 Base-Backbone interact. energy: -0.005 local terms energy: -67.169348 where: bonds (distance) C4'-P energy: -13.317 bonds (distance) P-C4' energy: -13.380 flat angles C4'-P-C4' energy: -14.203 flat angles P-C4'-P energy: -10.362 tors. eta vs tors. theta energy: -15.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -201.022377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.022377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.022377 (E_RNA) where: Base-Base interactions energy: -143.388 where: short stacking energy: -61.512 Base-Backbone interact. energy: -0.677 local terms energy: -56.957698 where: bonds (distance) C4'-P energy: -12.547 bonds (distance) P-C4' energy: -8.069 flat angles C4'-P-C4' energy: -13.228 flat angles P-C4'-P energy: -6.954 tors. eta vs tors. theta energy: -16.160 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: 10 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -197.502865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.502865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.502865 (E_RNA) where: Base-Base interactions energy: -135.959 where: short stacking energy: -53.233 Base-Backbone interact. energy: -0.001 local terms energy: -61.543003 where: bonds (distance) C4'-P energy: -13.454 bonds (distance) P-C4' energy: -13.003 flat angles C4'-P-C4' energy: -10.548 flat angles P-C4'-P energy: -8.723 tors. eta vs tors. theta energy: -15.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -193.413094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.413094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.413094 (E_RNA) where: Base-Base interactions energy: -136.291 where: short stacking energy: -53.977 Base-Backbone interact. energy: 0.395 local terms energy: -57.516836 where: bonds (distance) C4'-P energy: -11.251 bonds (distance) P-C4' energy: -11.554 flat angles C4'-P-C4' energy: -11.979 flat angles P-C4'-P energy: -7.123 tors. eta vs tors. theta energy: -15.610 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: 480 Temperature: 1.100000 Total energy: -186.934628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.934628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.934628 (E_RNA) where: Base-Base interactions energy: -119.926 where: short stacking energy: -49.643 Base-Backbone interact. energy: -0.065 local terms energy: -66.943973 where: bonds (distance) C4'-P energy: -12.695 bonds (distance) P-C4' energy: -13.873 flat angles C4'-P-C4' energy: -13.316 flat angles P-C4'-P energy: -9.409 tors. eta vs tors. theta energy: -17.650 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: 2 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -177.868449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.868449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.868449 (E_RNA) where: Base-Base interactions energy: -116.793 where: short stacking energy: -46.269 Base-Backbone interact. energy: -0.159 local terms energy: -60.916661 where: bonds (distance) C4'-P energy: -10.541 bonds (distance) P-C4' energy: -12.361 flat angles C4'-P-C4' energy: -14.609 flat angles P-C4'-P energy: -9.125 tors. eta vs tors. theta energy: -14.280 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: 4 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -181.785082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.785082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.785082 (E_RNA) where: Base-Base interactions energy: -124.297 where: short stacking energy: -49.594 Base-Backbone interact. energy: -0.175 local terms energy: -57.312772 where: bonds (distance) C4'-P energy: -11.570 bonds (distance) P-C4' energy: -13.998 flat angles C4'-P-C4' energy: -12.390 flat angles P-C4'-P energy: -6.774 tors. eta vs tors. theta energy: -12.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -180.799477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.799477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.799477 (E_RNA) where: Base-Base interactions energy: -119.817 where: short stacking energy: -50.274 Base-Backbone interact. energy: -0.230 local terms energy: -60.751935 where: bonds (distance) C4'-P energy: -13.424 bonds (distance) P-C4' energy: -12.039 flat angles C4'-P-C4' energy: -14.515 flat angles P-C4'-P energy: -5.340 tors. eta vs tors. theta energy: -15.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -72.457222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.457222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.457222 (E_RNA) where: Base-Base interactions energy: -29.526 where: short stacking energy: -29.493 Base-Backbone interact. energy: -0.077 local terms energy: -42.854154 where: bonds (distance) C4'-P energy: -10.522 bonds (distance) P-C4' energy: -9.886 flat angles C4'-P-C4' energy: -13.217 flat angles P-C4'-P energy: -6.874 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: 3 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -65.627398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.627398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.627398 (E_RNA) where: Base-Base interactions energy: -17.930 where: short stacking energy: -17.930 Base-Backbone interact. energy: -0.102 local terms energy: -47.595350 where: bonds (distance) C4'-P energy: -7.707 bonds (distance) P-C4' energy: -13.420 flat angles C4'-P-C4' energy: -8.194 flat angles P-C4'-P energy: -10.259 tors. eta vs tors. theta energy: -8.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -200.691227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.691227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.691227 (E_RNA) where: Base-Base interactions energy: -141.361 where: short stacking energy: -52.499 Base-Backbone interact. energy: -0.054 local terms energy: -59.276178 where: bonds (distance) C4'-P energy: -10.588 bonds (distance) P-C4' energy: -13.984 flat angles C4'-P-C4' energy: -13.725 flat angles P-C4'-P energy: -9.100 tors. eta vs tors. theta energy: -11.879 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: 10 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -201.845629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.845629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.845629 (E_RNA) where: Base-Base interactions energy: -132.294 where: short stacking energy: -56.299 Base-Backbone interact. energy: -0.006 local terms energy: -69.545515 where: bonds (distance) C4'-P energy: -14.348 bonds (distance) P-C4' energy: -12.594 flat angles C4'-P-C4' energy: -13.058 flat angles P-C4'-P energy: -12.758 tors. eta vs tors. theta energy: -16.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -198.534881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.534881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.534881 (E_RNA) where: Base-Base interactions energy: -134.816 where: short stacking energy: -58.661 Base-Backbone interact. energy: -0.005 local terms energy: -63.713470 where: bonds (distance) C4'-P energy: -11.810 bonds (distance) P-C4' energy: -12.895 flat angles C4'-P-C4' energy: -11.970 flat angles P-C4'-P energy: -9.480 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: 4, replica: 6 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -189.100120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.100120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.100120 (E_RNA) where: Base-Base interactions energy: -122.722 where: short stacking energy: -54.600 Base-Backbone interact. energy: -0.040 local terms energy: -66.337695 where: bonds (distance) C4'-P energy: -12.870 bonds (distance) P-C4' energy: -14.399 flat angles C4'-P-C4' energy: -15.003 flat angles P-C4'-P energy: -7.352 tors. eta vs tors. theta energy: -16.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -183.657669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.657669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.657669 (E_RNA) where: Base-Base interactions energy: -125.374 where: short stacking energy: -49.434 Base-Backbone interact. energy: -0.010 local terms energy: -58.274355 where: bonds (distance) C4'-P energy: -12.403 bonds (distance) P-C4' energy: -12.977 flat angles C4'-P-C4' energy: -11.322 flat angles P-C4'-P energy: -8.407 tors. eta vs tors. theta energy: -13.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -180.084673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.084673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.084673 (E_RNA) where: Base-Base interactions energy: -117.372 where: short stacking energy: -48.756 Base-Backbone interact. energy: -0.099 local terms energy: -62.613649 where: bonds (distance) C4'-P energy: -11.835 bonds (distance) P-C4' energy: -14.864 flat angles C4'-P-C4' energy: -12.388 flat angles P-C4'-P energy: -11.714 tors. eta vs tors. theta energy: -11.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -188.562130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.562130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.562130 (E_RNA) where: Base-Base interactions energy: -123.882 where: short stacking energy: -50.002 Base-Backbone interact. energy: -0.398 local terms energy: -64.282117 where: bonds (distance) C4'-P energy: -11.780 bonds (distance) P-C4' energy: -15.104 flat angles C4'-P-C4' energy: -11.476 flat angles P-C4'-P energy: -9.015 tors. eta vs tors. theta energy: -16.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -169.847510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.847510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.847510 (E_RNA) where: Base-Base interactions energy: -122.563 where: short stacking energy: -45.761 Base-Backbone interact. energy: -0.179 local terms energy: -47.105451 where: bonds (distance) C4'-P energy: -7.930 bonds (distance) P-C4' energy: -10.012 flat angles C4'-P-C4' energy: -9.468 flat angles P-C4'-P energy: -8.358 tors. eta vs tors. theta energy: -11.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -61.726886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.726886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.726886 (E_RNA) where: Base-Base interactions energy: -22.580 where: short stacking energy: -22.580 Base-Backbone interact. energy: -0.235 local terms energy: -38.912071 where: bonds (distance) C4'-P energy: -7.955 bonds (distance) P-C4' energy: -11.340 flat angles C4'-P-C4' energy: -4.814 flat angles P-C4'-P energy: -8.412 tors. eta vs tors. theta energy: -6.390 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: 10, replica: 3 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -65.537053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.537053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.537053 (E_RNA) where: Base-Base interactions energy: -20.667 where: short stacking energy: -20.667 Base-Backbone interact. energy: -0.194 local terms energy: -44.675869 where: bonds (distance) C4'-P energy: -9.927 bonds (distance) P-C4' energy: -13.733 flat angles C4'-P-C4' energy: -13.045 flat angles P-C4'-P energy: -4.932 tors. eta vs tors. theta energy: -3.038 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: 10 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -201.400489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.400489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.400489 (E_RNA) where: Base-Base interactions energy: -140.315 where: short stacking energy: -60.275 Base-Backbone interact. energy: -0.001 local terms energy: -61.084570 where: bonds (distance) C4'-P energy: -10.901 bonds (distance) P-C4' energy: -11.371 flat angles C4'-P-C4' energy: -12.096 flat angles P-C4'-P energy: -10.984 tors. eta vs tors. theta energy: -15.732 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: 7 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -200.332281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.332281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.332281 (E_RNA) where: Base-Base interactions energy: -137.925 where: short stacking energy: -52.164 Base-Backbone interact. energy: -0.033 local terms energy: -62.374851 where: bonds (distance) C4'-P energy: -13.275 bonds (distance) P-C4' energy: -13.033 flat angles C4'-P-C4' energy: -12.857 flat angles P-C4'-P energy: -10.014 tors. eta vs tors. theta energy: -13.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -193.328374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.328374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.328374 (E_RNA) where: Base-Base interactions energy: -136.609 where: short stacking energy: -57.766 Base-Backbone interact. energy: -0.098 local terms energy: -56.621014 where: bonds (distance) C4'-P energy: -12.982 bonds (distance) P-C4' energy: -9.050 flat angles C4'-P-C4' energy: -12.544 flat angles P-C4'-P energy: -7.158 tors. eta vs tors. theta energy: -14.886 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: 1 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -199.998828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.998828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.998828 (E_RNA) where: Base-Base interactions energy: -140.052 where: short stacking energy: -59.790 Base-Backbone interact. energy: -0.015 local terms energy: -59.932375 where: bonds (distance) C4'-P energy: -13.135 bonds (distance) P-C4' energy: -12.803 flat angles C4'-P-C4' energy: -11.411 flat angles P-C4'-P energy: -4.828 tors. eta vs tors. theta energy: -17.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -169.740095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.740095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.740095 (E_RNA) where: Base-Base interactions energy: -110.298 where: short stacking energy: -46.581 Base-Backbone interact. energy: -0.073 local terms energy: -59.369107 where: bonds (distance) C4'-P energy: -11.856 bonds (distance) P-C4' energy: -14.315 flat angles C4'-P-C4' energy: -11.384 flat angles P-C4'-P energy: -11.479 tors. eta vs tors. theta energy: -10.335 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: 6, replica: 9 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -175.144908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.144908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.144908 (E_RNA) where: Base-Base interactions energy: -126.634 where: short stacking energy: -51.304 Base-Backbone interact. energy: -0.016 local terms energy: -48.494449 where: bonds (distance) C4'-P energy: -9.633 bonds (distance) P-C4' energy: -8.850 flat angles C4'-P-C4' energy: -13.146 flat angles P-C4'-P energy: -5.794 tors. eta vs tors. theta energy: -11.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -163.339967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.339967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.339967 (E_RNA) where: Base-Base interactions energy: -112.955 where: short stacking energy: -44.656 Base-Backbone interact. energy: 0.370 local terms energy: -50.754695 where: bonds (distance) C4'-P energy: -9.037 bonds (distance) P-C4' energy: -10.176 flat angles C4'-P-C4' energy: -13.908 flat angles P-C4'-P energy: -8.243 tors. eta vs tors. theta energy: -9.392 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: 8, replica: 5 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -181.969105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.969105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.969105 (E_RNA) where: Base-Base interactions energy: -123.006 where: short stacking energy: -55.284 Base-Backbone interact. energy: -0.195 local terms energy: -58.768549 where: bonds (distance) C4'-P energy: -10.738 bonds (distance) P-C4' energy: -10.507 flat angles C4'-P-C4' energy: -12.599 flat angles P-C4'-P energy: -9.721 tors. eta vs tors. theta energy: -15.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -83.572971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.572971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.572971 (E_RNA) where: Base-Base interactions energy: -41.636 where: short stacking energy: -23.554 Base-Backbone interact. energy: -0.149 local terms energy: -41.787980 where: bonds (distance) C4'-P energy: -9.894 bonds (distance) P-C4' energy: -12.125 flat angles C4'-P-C4' energy: -10.788 flat angles P-C4'-P energy: -3.980 tors. eta vs tors. theta energy: -5.002 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: 3 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -80.845590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.845590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.845590 (E_RNA) where: Base-Base interactions energy: -29.552 where: short stacking energy: -26.576 Base-Backbone interact. energy: -0.066 local terms energy: -51.228535 where: bonds (distance) C4'-P energy: -10.829 bonds (distance) P-C4' energy: -14.177 flat angles C4'-P-C4' energy: -8.276 flat angles P-C4'-P energy: -9.551 tors. eta vs tors. theta energy: -8.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -203.001416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.001416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.001416 (E_RNA) where: Base-Base interactions energy: -137.170 where: short stacking energy: -57.476 Base-Backbone interact. energy: -0.002 local terms energy: -65.829521 where: bonds (distance) C4'-P energy: -13.371 bonds (distance) P-C4' energy: -11.725 flat angles C4'-P-C4' energy: -13.453 flat angles P-C4'-P energy: -10.952 tors. eta vs tors. theta energy: -16.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -203.189718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.189718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.189718 (E_RNA) where: Base-Base interactions energy: -137.834 where: short stacking energy: -58.304 Base-Backbone interact. energy: -0.006 local terms energy: -65.349541 where: bonds (distance) C4'-P energy: -12.422 bonds (distance) P-C4' energy: -14.192 flat angles C4'-P-C4' energy: -14.313 flat angles P-C4'-P energy: -9.010 tors. eta vs tors. theta energy: -15.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -190.112480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.112480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.112480 (E_RNA) where: Base-Base interactions energy: -136.668 where: short stacking energy: -59.221 Base-Backbone interact. energy: -0.128 local terms energy: -53.316202 where: bonds (distance) C4'-P energy: -6.582 bonds (distance) P-C4' energy: -13.064 flat angles C4'-P-C4' energy: -11.771 flat angles P-C4'-P energy: -7.650 tors. eta vs tors. theta energy: -14.250 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: 4 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -192.143122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.143122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.143122 (E_RNA) where: Base-Base interactions energy: -127.117 where: short stacking energy: -55.564 Base-Backbone interact. energy: -0.025 local terms energy: -65.001294 where: bonds (distance) C4'-P energy: -12.775 bonds (distance) P-C4' energy: -14.674 flat angles C4'-P-C4' energy: -13.265 flat angles P-C4'-P energy: -9.730 tors. eta vs tors. theta energy: -14.557 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: 1 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -190.600032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.600032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.600032 (E_RNA) where: Base-Base interactions energy: -134.855 where: short stacking energy: -52.959 Base-Backbone interact. energy: -0.261 local terms energy: -55.484194 where: bonds (distance) C4'-P energy: -12.969 bonds (distance) P-C4' energy: -9.508 flat angles C4'-P-C4' energy: -12.897 flat angles P-C4'-P energy: -3.303 tors. eta vs tors. theta energy: -16.806 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: 2 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -186.634957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.634957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.634957 (E_RNA) where: Base-Base interactions energy: -129.827 where: short stacking energy: -48.484 Base-Backbone interact. energy: 2.460 local terms energy: -59.267979 where: bonds (distance) C4'-P energy: -12.197 bonds (distance) P-C4' energy: -12.917 flat angles C4'-P-C4' energy: -14.205 flat angles P-C4'-P energy: -7.084 tors. eta vs tors. theta energy: -12.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -173.109603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.109603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.109603 (E_RNA) where: Base-Base interactions energy: -117.518 where: short stacking energy: -50.053 Base-Backbone interact. energy: -0.050 local terms energy: -55.541776 where: bonds (distance) C4'-P energy: -11.027 bonds (distance) P-C4' energy: -10.499 flat angles C4'-P-C4' energy: -13.185 flat angles P-C4'-P energy: -6.937 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: 8, replica: 5 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -167.052315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.052315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.052315 (E_RNA) where: Base-Base interactions energy: -119.967 where: short stacking energy: -39.239 Base-Backbone interact. energy: -0.032 local terms energy: -47.053463 where: bonds (distance) C4'-P energy: -8.821 bonds (distance) P-C4' energy: -11.814 flat angles C4'-P-C4' energy: -10.006 flat angles P-C4'-P energy: -8.386 tors. eta vs tors. theta energy: -8.025 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: 9, replica: 8 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -65.950469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.950469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.950469 (E_RNA) where: Base-Base interactions energy: -21.237 where: short stacking energy: -19.915 Base-Backbone interact. energy: -0.147 local terms energy: -44.566482 where: bonds (distance) C4'-P energy: -10.447 bonds (distance) P-C4' energy: -14.385 flat angles C4'-P-C4' energy: -7.600 flat angles P-C4'-P energy: -8.486 tors. eta vs tors. theta energy: -3.648 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: 3 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -94.731455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.731455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.731455 (E_RNA) where: Base-Base interactions energy: -42.163 where: short stacking energy: -42.163 Base-Backbone interact. energy: -0.037 local terms energy: -52.532068 where: bonds (distance) C4'-P energy: -8.358 bonds (distance) P-C4' energy: -12.825 flat angles C4'-P-C4' energy: -11.726 flat angles P-C4'-P energy: -8.100 tors. eta vs tors. theta energy: -11.523 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: 1, replica: 6 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -203.169493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.169493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.169493 (E_RNA) where: Base-Base interactions energy: -141.959 where: short stacking energy: -62.725 Base-Backbone interact. energy: -0.000 local terms energy: -61.209893 where: bonds (distance) C4'-P energy: -12.034 bonds (distance) P-C4' energy: -12.447 flat angles C4'-P-C4' energy: -13.577 flat angles P-C4'-P energy: -7.357 tors. eta vs tors. theta energy: -15.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -202.206798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.206798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.206798 (E_RNA) where: Base-Base interactions energy: -138.681 where: short stacking energy: -61.051 Base-Backbone interact. energy: -0.000 local terms energy: -63.525647 where: bonds (distance) C4'-P energy: -12.067 bonds (distance) P-C4' energy: -12.142 flat angles C4'-P-C4' energy: -14.533 flat angles P-C4'-P energy: -8.521 tors. eta vs tors. theta energy: -16.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -190.254913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.254913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.254913 (E_RNA) where: Base-Base interactions energy: -132.616 where: short stacking energy: -51.819 Base-Backbone interact. energy: -0.138 local terms energy: -57.501194 where: bonds (distance) C4'-P energy: -12.799 bonds (distance) P-C4' energy: -10.419 flat angles C4'-P-C4' energy: -13.033 flat angles P-C4'-P energy: -8.310 tors. eta vs tors. theta energy: -12.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -189.066774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.066774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.066774 (E_RNA) where: Base-Base interactions energy: -127.961 where: short stacking energy: -53.791 Base-Backbone interact. energy: 0.087 local terms energy: -61.192580 where: bonds (distance) C4'-P energy: -8.154 bonds (distance) P-C4' energy: -13.497 flat angles C4'-P-C4' energy: -14.096 flat angles P-C4'-P energy: -8.541 tors. eta vs tors. theta energy: -16.904 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: 2 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -192.599241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.599241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.599241 (E_RNA) where: Base-Base interactions energy: -132.121 where: short stacking energy: -51.314 Base-Backbone interact. energy: -0.005 local terms energy: -60.473042 where: bonds (distance) C4'-P energy: -9.646 bonds (distance) P-C4' energy: -13.613 flat angles C4'-P-C4' energy: -14.131 flat angles P-C4'-P energy: -10.127 tors. eta vs tors. theta energy: -12.957 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: 1 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -184.585882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.585882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.585882 (E_RNA) where: Base-Base interactions energy: -132.646 where: short stacking energy: -54.846 Base-Backbone interact. energy: -0.099 local terms energy: -51.840284 where: bonds (distance) C4'-P energy: -10.857 bonds (distance) P-C4' energy: -8.964 flat angles C4'-P-C4' energy: -12.164 flat angles P-C4'-P energy: -7.088 tors. eta vs tors. theta energy: -12.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -174.593679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.593679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.593679 (E_RNA) where: Base-Base interactions energy: -117.570 where: short stacking energy: -49.338 Base-Backbone interact. energy: -0.001 local terms energy: -57.022636 where: bonds (distance) C4'-P energy: -9.401 bonds (distance) P-C4' energy: -15.601 flat angles C4'-P-C4' energy: -11.802 flat angles P-C4'-P energy: -6.091 tors. eta vs tors. theta energy: -14.128 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: 9 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -177.512236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.512236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.512236 (E_RNA) where: Base-Base interactions energy: -117.568 where: short stacking energy: -46.351 Base-Backbone interact. energy: -0.001 local terms energy: -59.942845 where: bonds (distance) C4'-P energy: -12.977 bonds (distance) P-C4' energy: -10.612 flat angles C4'-P-C4' energy: -11.634 flat angles P-C4'-P energy: -9.002 tors. eta vs tors. theta energy: -15.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -75.976980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.976980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.976980 (E_RNA) where: Base-Base interactions energy: -28.451 where: short stacking energy: -28.100 Base-Backbone interact. energy: 1.017 local terms energy: -48.542983 where: bonds (distance) C4'-P energy: -7.233 bonds (distance) P-C4' energy: -12.980 flat angles C4'-P-C4' energy: -11.039 flat angles P-C4'-P energy: -9.554 tors. eta vs tors. theta energy: -7.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -65.781025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.781025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.781025 (E_RNA) where: Base-Base interactions energy: -26.484 where: short stacking energy: -25.773 Base-Backbone interact. energy: -0.103 local terms energy: -39.194161 where: bonds (distance) C4'-P energy: -8.747 bonds (distance) P-C4' energy: -7.371 flat angles C4'-P-C4' energy: -9.136 flat angles P-C4'-P energy: -7.367 tors. eta vs tors. theta energy: -6.574 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: 6 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -200.516795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.516795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.516795 (E_RNA) where: Base-Base interactions energy: -136.811 where: short stacking energy: -53.100 Base-Backbone interact. energy: -0.074 local terms energy: -63.631759 where: bonds (distance) C4'-P energy: -12.008 bonds (distance) P-C4' energy: -11.396 flat angles C4'-P-C4' energy: -13.951 flat angles P-C4'-P energy: -9.931 tors. eta vs tors. theta energy: -16.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -195.084519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.084519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.084519 (E_RNA) where: Base-Base interactions energy: -138.580 where: short stacking energy: -57.437 Base-Backbone interact. energy: -0.009 local terms energy: -56.495824 where: bonds (distance) C4'-P energy: -12.811 bonds (distance) P-C4' energy: -8.619 flat angles C4'-P-C4' energy: -11.890 flat angles P-C4'-P energy: -9.502 tors. eta vs tors. theta energy: -13.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -192.586532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.586532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.586532 (E_RNA) where: Base-Base interactions energy: -132.818 where: short stacking energy: -55.178 Base-Backbone interact. energy: -0.102 local terms energy: -59.666209 where: bonds (distance) C4'-P energy: -10.602 bonds (distance) P-C4' energy: -12.820 flat angles C4'-P-C4' energy: -12.384 flat angles P-C4'-P energy: -7.671 tors. eta vs tors. theta energy: -16.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -182.201754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.201754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.201754 (E_RNA) where: Base-Base interactions energy: -125.674 where: short stacking energy: -49.627 Base-Backbone interact. energy: 0.037 local terms energy: -56.564208 where: bonds (distance) C4'-P energy: -9.049 bonds (distance) P-C4' energy: -9.661 flat angles C4'-P-C4' energy: -13.453 flat angles P-C4'-P energy: -11.911 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: 5, replica: 7 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -188.170276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.170276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.170276 (E_RNA) where: Base-Base interactions energy: -125.422 where: short stacking energy: -51.002 Base-Backbone interact. energy: -0.122 local terms energy: -62.627132 where: bonds (distance) C4'-P energy: -11.412 bonds (distance) P-C4' energy: -15.358 flat angles C4'-P-C4' energy: -12.443 flat angles P-C4'-P energy: -8.203 tors. eta vs tors. theta energy: -15.211 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: 5 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -177.280260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.280260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.280260 (E_RNA) where: Base-Base interactions energy: -120.163 where: short stacking energy: -55.152 Base-Backbone interact. energy: -0.027 local terms energy: -57.091021 where: bonds (distance) C4'-P energy: -11.830 bonds (distance) P-C4' energy: -11.972 flat angles C4'-P-C4' energy: -9.970 flat angles P-C4'-P energy: -8.119 tors. eta vs tors. theta energy: -15.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -165.252877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.252877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.252877 (E_RNA) where: Base-Base interactions energy: -115.426 where: short stacking energy: -44.249 Base-Backbone interact. energy: -0.124 local terms energy: -49.703121 where: bonds (distance) C4'-P energy: -12.184 bonds (distance) P-C4' energy: -12.020 flat angles C4'-P-C4' energy: -11.474 flat angles P-C4'-P energy: -6.729 tors. eta vs tors. theta energy: -7.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -183.842580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.842580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.842580 (E_RNA) where: Base-Base interactions energy: -133.042 where: short stacking energy: -56.455 Base-Backbone interact. energy: -0.005 local terms energy: -50.795690 where: bonds (distance) C4'-P energy: -8.618 bonds (distance) P-C4' energy: -9.944 flat angles C4'-P-C4' energy: -10.804 flat angles P-C4'-P energy: -6.257 tors. eta vs tors. theta energy: -15.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -57.765832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.765832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.765832 (E_RNA) where: Base-Base interactions energy: -24.100 where: short stacking energy: -7.865 Base-Backbone interact. energy: -0.095 local terms energy: -33.570986 where: bonds (distance) C4'-P energy: -12.848 bonds (distance) P-C4' energy: -9.712 flat angles C4'-P-C4' energy: -12.880 flat angles P-C4'-P energy: -2.679 tors. eta vs tors. theta energy: 4.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -58.268606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.268606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.268606 (E_RNA) where: Base-Base interactions energy: -16.531 where: short stacking energy: -9.214 Base-Backbone interact. energy: -0.038 local terms energy: -41.699236 where: bonds (distance) C4'-P energy: -12.795 bonds (distance) P-C4' energy: -8.928 flat angles C4'-P-C4' energy: -11.100 flat angles P-C4'-P energy: -6.386 tors. eta vs tors. theta energy: -2.491 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: 10 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -197.227969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.227969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.227969 (E_RNA) where: Base-Base interactions energy: -136.675 where: short stacking energy: -61.464 Base-Backbone interact. energy: -0.005 local terms energy: -60.548489 where: bonds (distance) C4'-P energy: -12.733 bonds (distance) P-C4' energy: -12.652 flat angles C4'-P-C4' energy: -13.244 flat angles P-C4'-P energy: -5.669 tors. eta vs tors. theta energy: -16.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -198.432159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.432159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.432159 (E_RNA) where: Base-Base interactions energy: -141.118 where: short stacking energy: -53.838 Base-Backbone interact. energy: -0.011 local terms energy: -57.303882 where: bonds (distance) C4'-P energy: -11.285 bonds (distance) P-C4' energy: -12.700 flat angles C4'-P-C4' energy: -11.713 flat angles P-C4'-P energy: -8.132 tors. eta vs tors. theta energy: -13.473 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: 2 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -197.258262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.258262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.258262 (E_RNA) where: Base-Base interactions energy: -135.499 where: short stacking energy: -61.807 Base-Backbone interact. energy: -0.000 local terms energy: -61.758610 where: bonds (distance) C4'-P energy: -12.998 bonds (distance) P-C4' energy: -10.806 flat angles C4'-P-C4' energy: -12.933 flat angles P-C4'-P energy: -10.408 tors. eta vs tors. theta energy: -14.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 486 Temperature: 1.050000 Total energy: -194.904180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.904180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.904180 (E_RNA) where: Base-Base interactions energy: -130.195 where: short stacking energy: -55.665 Base-Backbone interact. energy: -0.060 local terms energy: -64.649143 where: bonds (distance) C4'-P energy: -13.942 bonds (distance) P-C4' energy: -14.395 flat angles C4'-P-C4' energy: -12.932 flat angles P-C4'-P energy: -6.199 tors. eta vs tors. theta energy: -17.181 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: 5, replica: 7 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -185.213613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.213613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.213613 (E_RNA) where: Base-Base interactions energy: -128.822 where: short stacking energy: -50.508 Base-Backbone interact. energy: -0.115 local terms energy: -56.276438 where: bonds (distance) C4'-P energy: -11.856 bonds (distance) P-C4' energy: -12.436 flat angles C4'-P-C4' energy: -12.507 flat angles P-C4'-P energy: -7.642 tors. eta vs tors. theta energy: -11.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -163.878295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.878295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.878295 (E_RNA) where: Base-Base interactions energy: -122.396 where: short stacking energy: -41.855 Base-Backbone interact. energy: -0.458 local terms energy: -41.024840 where: bonds (distance) C4'-P energy: -8.009 bonds (distance) P-C4' energy: -6.971 flat angles C4'-P-C4' energy: -11.446 flat angles P-C4'-P energy: -6.598 tors. eta vs tors. theta energy: -8.001 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: 1 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -189.876049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.876049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.876049 (E_RNA) where: Base-Base interactions energy: -129.286 where: short stacking energy: -55.508 Base-Backbone interact. energy: -0.051 local terms energy: -60.539318 where: bonds (distance) C4'-P energy: -7.981 bonds (distance) P-C4' energy: -13.745 flat angles C4'-P-C4' energy: -12.276 flat angles P-C4'-P energy: -9.426 tors. eta vs tors. theta energy: -17.112 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: 9 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -186.020173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.020173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.020173 (E_RNA) where: Base-Base interactions energy: -130.679 where: short stacking energy: -53.982 Base-Backbone interact. energy: -0.001 local terms energy: -55.340145 where: bonds (distance) C4'-P energy: -10.564 bonds (distance) P-C4' energy: -13.755 flat angles C4'-P-C4' energy: -10.619 flat angles P-C4'-P energy: -7.469 tors. eta vs tors. theta energy: -12.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 486 Temperature: 1.300000 Total energy: -61.772979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.772979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.772979 (E_RNA) where: Base-Base interactions energy: -27.179 where: short stacking energy: -11.494 Base-Backbone interact. energy: 0.113 local terms energy: -34.707008 where: bonds (distance) C4'-P energy: -6.669 bonds (distance) P-C4' energy: -12.447 flat angles C4'-P-C4' energy: -10.772 flat angles P-C4'-P energy: -7.696 tors. eta vs tors. theta energy: 2.877 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: 10, replica: 3 ===================================== Write number: 486 Temperature: 1.350000 Total energy: -75.789222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.789222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.789222 (E_RNA) where: Base-Base interactions energy: -37.540 where: short stacking energy: -20.709 Base-Backbone interact. energy: -0.063 local terms energy: -38.186706 where: bonds (distance) C4'-P energy: -8.596 bonds (distance) P-C4' energy: -9.123 flat angles C4'-P-C4' energy: -10.120 flat angles P-C4'-P energy: -5.478 tors. eta vs tors. theta energy: -4.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -202.132273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.132273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.132273 (E_RNA) where: Base-Base interactions energy: -139.003 where: short stacking energy: -58.997 Base-Backbone interact. energy: -0.199 local terms energy: -62.929822 where: bonds (distance) C4'-P energy: -13.345 bonds (distance) P-C4' energy: -12.362 flat angles C4'-P-C4' energy: -11.356 flat angles P-C4'-P energy: -9.169 tors. eta vs tors. theta energy: -16.699 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: 6 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -198.804698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.804698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.804698 (E_RNA) where: Base-Base interactions energy: -139.021 where: short stacking energy: -55.825 Base-Backbone interact. energy: -0.001 local terms energy: -59.782954 where: bonds (distance) C4'-P energy: -13.185 bonds (distance) P-C4' energy: -10.855 flat angles C4'-P-C4' energy: -13.051 flat angles P-C4'-P energy: -6.074 tors. eta vs tors. theta energy: -16.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -194.414862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.414862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.414862 (E_RNA) where: Base-Base interactions energy: -140.578 where: short stacking energy: -61.050 Base-Backbone interact. energy: -0.039 local terms energy: -53.798097 where: bonds (distance) C4'-P energy: -10.294 bonds (distance) P-C4' energy: -11.160 flat angles C4'-P-C4' energy: -12.170 flat angles P-C4'-P energy: -6.963 tors. eta vs tors. theta energy: -13.211 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: 7 ===================================== Write number: 487 Temperature: 1.050000 Total energy: -197.067763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.067763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.067763 (E_RNA) where: Base-Base interactions energy: -137.724 where: short stacking energy: -58.253 Base-Backbone interact. energy: -0.007 local terms energy: -59.336922 where: bonds (distance) C4'-P energy: -12.659 bonds (distance) P-C4' energy: -12.423 flat angles C4'-P-C4' energy: -10.350 flat angles P-C4'-P energy: -9.415 tors. eta vs tors. theta energy: -14.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 487 Temperature: 1.100000 Total energy: -188.324634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.324634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.324634 (E_RNA) where: Base-Base interactions energy: -133.158 where: short stacking energy: -52.279 Base-Backbone interact. energy: -0.001 local terms energy: -55.165266 where: bonds (distance) C4'-P energy: -10.480 bonds (distance) P-C4' energy: -10.223 flat angles C4'-P-C4' energy: -11.798 flat angles P-C4'-P energy: -7.126 tors. eta vs tors. theta energy: -15.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -182.648043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.648043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.648043 (E_RNA) where: Base-Base interactions energy: -128.855 where: short stacking energy: -52.614 Base-Backbone interact. energy: -0.003 local terms energy: -53.790481 where: bonds (distance) C4'-P energy: -9.948 bonds (distance) P-C4' energy: -11.259 flat angles C4'-P-C4' energy: -13.303 flat angles P-C4'-P energy: -8.053 tors. eta vs tors. theta energy: -11.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -171.752209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.752209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.752209 (E_RNA) where: Base-Base interactions energy: -121.602 where: short stacking energy: -57.023 Base-Backbone interact. energy: -0.580 local terms energy: -49.569874 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -8.727 flat angles C4'-P-C4' energy: -9.981 flat angles P-C4'-P energy: -8.855 tors. eta vs tors. theta energy: -15.554 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: 9 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -173.338671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.338671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.338671 (E_RNA) where: Base-Base interactions energy: -120.331 where: short stacking energy: -45.688 Base-Backbone interact. energy: -0.083 local terms energy: -52.924647 where: bonds (distance) C4'-P energy: -9.892 bonds (distance) P-C4' energy: -12.383 flat angles C4'-P-C4' energy: -13.439 flat angles P-C4'-P energy: -5.615 tors. eta vs tors. theta energy: -11.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -80.118982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.118982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.118982 (E_RNA) where: Base-Base interactions energy: -39.210 where: short stacking energy: -31.768 Base-Backbone interact. energy: -0.023 local terms energy: -40.885968 where: bonds (distance) C4'-P energy: -12.548 bonds (distance) P-C4' energy: -6.306 flat angles C4'-P-C4' energy: -10.772 flat angles P-C4'-P energy: -6.802 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: 10, replica: 3 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -106.106413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.106413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.106413 (E_RNA) where: Base-Base interactions energy: -66.144 where: short stacking energy: -27.960 Base-Backbone interact. energy: -0.134 local terms energy: -39.828802 where: bonds (distance) C4'-P energy: -8.800 bonds (distance) P-C4' energy: -12.435 flat angles C4'-P-C4' energy: -6.415 flat angles P-C4'-P energy: -4.287 tors. eta vs tors. theta energy: -7.892 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: 6 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -206.356713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.356713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.356713 (E_RNA) where: Base-Base interactions energy: -142.465 where: short stacking energy: -64.262 Base-Backbone interact. energy: 0.037 local terms energy: -63.928489 where: bonds (distance) C4'-P energy: -12.365 bonds (distance) P-C4' energy: -12.391 flat angles C4'-P-C4' energy: -14.141 flat angles P-C4'-P energy: -8.658 tors. eta vs tors. theta energy: -16.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -199.824554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.824554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.824554 (E_RNA) where: Base-Base interactions energy: -137.794 where: short stacking energy: -60.067 Base-Backbone interact. energy: -0.394 local terms energy: -61.637005 where: bonds (distance) C4'-P energy: -10.742 bonds (distance) P-C4' energy: -12.926 flat angles C4'-P-C4' energy: -13.340 flat angles P-C4'-P energy: -9.847 tors. eta vs tors. theta energy: -14.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 488 Temperature: 1.000000 Total energy: -200.020180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.020180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.020180 (E_RNA) where: Base-Base interactions energy: -142.090 where: short stacking energy: -60.340 Base-Backbone interact. energy: -0.013 local terms energy: -57.917294 where: bonds (distance) C4'-P energy: -12.787 bonds (distance) P-C4' energy: -10.961 flat angles C4'-P-C4' energy: -7.539 flat angles P-C4'-P energy: -10.412 tors. eta vs tors. theta energy: -16.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 488 Temperature: 1.050000 Total energy: -191.809049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.809049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.809049 (E_RNA) where: Base-Base interactions energy: -129.278 where: short stacking energy: -54.597 Base-Backbone interact. energy: -0.009 local terms energy: -62.521629 where: bonds (distance) C4'-P energy: -11.074 bonds (distance) P-C4' energy: -12.632 flat angles C4'-P-C4' energy: -12.383 flat angles P-C4'-P energy: -9.981 tors. eta vs tors. theta energy: -16.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 488 Temperature: 1.100000 Total energy: -191.366594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.366594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.366594 (E_RNA) where: Base-Base interactions energy: -127.716 where: short stacking energy: -57.460 Base-Backbone interact. energy: -0.010 local terms energy: -63.640505 where: bonds (distance) C4'-P energy: -13.230 bonds (distance) P-C4' energy: -12.180 flat angles C4'-P-C4' energy: -11.824 flat angles P-C4'-P energy: -9.491 tors. eta vs tors. theta energy: -16.916 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: 6, replica: 1 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -188.501033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.501033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.501033 (E_RNA) where: Base-Base interactions energy: -133.768 where: short stacking energy: -48.164 Base-Backbone interact. energy: -0.084 local terms energy: -54.649405 where: bonds (distance) C4'-P energy: -8.882 bonds (distance) P-C4' energy: -13.205 flat angles C4'-P-C4' energy: -14.495 flat angles P-C4'-P energy: -8.396 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: 7, replica: 9 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -172.770415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.770415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.770415 (E_RNA) where: Base-Base interactions energy: -122.830 where: short stacking energy: -52.192 Base-Backbone interact. energy: -0.160 local terms energy: -49.779994 where: bonds (distance) C4'-P energy: -8.097 bonds (distance) P-C4' energy: -11.417 flat angles C4'-P-C4' energy: -11.666 flat angles P-C4'-P energy: -4.954 tors. eta vs tors. theta energy: -13.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -167.337199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.337199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.337199 (E_RNA) where: Base-Base interactions energy: -114.490 where: short stacking energy: -45.489 Base-Backbone interact. energy: -0.136 local terms energy: -52.710800 where: bonds (distance) C4'-P energy: -13.682 bonds (distance) P-C4' energy: -12.272 flat angles C4'-P-C4' energy: -9.776 flat angles P-C4'-P energy: -7.519 tors. eta vs tors. theta energy: -9.461 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: 9, replica: 8 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -76.757018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.757018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.757018 (E_RNA) where: Base-Base interactions energy: -39.150 where: short stacking energy: -16.274 Base-Backbone interact. energy: -0.096 local terms energy: -37.511573 where: bonds (distance) C4'-P energy: -11.069 bonds (distance) P-C4' energy: -8.922 flat angles C4'-P-C4' energy: -7.984 flat angles P-C4'-P energy: -8.553 tors. eta vs tors. theta energy: -0.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 488 Temperature: 1.350000 Total energy: -68.059282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.059282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.059282 (E_RNA) where: Base-Base interactions energy: -31.631 where: short stacking energy: -31.631 Base-Backbone interact. energy: -0.121 local terms energy: -36.306915 where: bonds (distance) C4'-P energy: -12.535 bonds (distance) P-C4' energy: -7.585 flat angles C4'-P-C4' energy: -9.210 flat angles P-C4'-P energy: -1.736 tors. eta vs tors. theta energy: -5.241 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: 1, replica: 6 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -204.802735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.802735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.802735 (E_RNA) where: Base-Base interactions energy: -141.283 where: short stacking energy: -61.343 Base-Backbone interact. energy: -0.000 local terms energy: -63.519192 where: bonds (distance) C4'-P energy: -12.994 bonds (distance) P-C4' energy: -12.180 flat angles C4'-P-C4' energy: -13.942 flat angles P-C4'-P energy: -7.991 tors. eta vs tors. theta energy: -16.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -206.913018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.913018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.913018 (E_RNA) where: Base-Base interactions energy: -141.615 where: short stacking energy: -56.893 Base-Backbone interact. energy: 0.748 local terms energy: -66.045628 where: bonds (distance) C4'-P energy: -13.888 bonds (distance) P-C4' energy: -13.935 flat angles C4'-P-C4' energy: -11.324 flat angles P-C4'-P energy: -9.270 tors. eta vs tors. theta energy: -17.628 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: 3, replica: 10 ===================================== Write number: 489 Temperature: 1.000000 Total energy: -203.588898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.588898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.588898 (E_RNA) where: Base-Base interactions energy: -141.290 where: short stacking energy: -60.522 Base-Backbone interact. energy: 0.177 local terms energy: -62.475846 where: bonds (distance) C4'-P energy: -11.145 bonds (distance) P-C4' energy: -12.986 flat angles C4'-P-C4' energy: -13.670 flat angles P-C4'-P energy: -10.082 tors. eta vs tors. theta energy: -14.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 489 Temperature: 1.050000 Total energy: -194.240216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.240216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.240216 (E_RNA) where: Base-Base interactions energy: -128.429 where: short stacking energy: -54.198 Base-Backbone interact. energy: -0.079 local terms energy: -65.732571 where: bonds (distance) C4'-P energy: -11.989 bonds (distance) P-C4' energy: -12.327 flat angles C4'-P-C4' energy: -14.665 flat angles P-C4'-P energy: -9.800 tors. eta vs tors. theta energy: -16.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 489 Temperature: 1.100000 Total energy: -188.545682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.545682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.545682 (E_RNA) where: Base-Base interactions energy: -133.657 where: short stacking energy: -53.489 Base-Backbone interact. energy: -0.072 local terms energy: -54.816331 where: bonds (distance) C4'-P energy: -9.151 bonds (distance) P-C4' energy: -14.445 flat angles C4'-P-C4' energy: -6.743 flat angles P-C4'-P energy: -8.713 tors. eta vs tors. theta energy: -15.764 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: 9 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -177.910022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.910022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.910022 (E_RNA) where: Base-Base interactions energy: -121.085 where: short stacking energy: -51.959 Base-Backbone interact. energy: -0.102 local terms energy: -56.723445 where: bonds (distance) C4'-P energy: -9.988 bonds (distance) P-C4' energy: -13.758 flat angles C4'-P-C4' energy: -11.350 flat angles P-C4'-P energy: -8.423 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: 7, replica: 1 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -178.104648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.104648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.104648 (E_RNA) where: Base-Base interactions energy: -124.832 where: short stacking energy: -51.827 Base-Backbone interact. energy: -0.000 local terms energy: -53.271871 where: bonds (distance) C4'-P energy: -11.645 bonds (distance) P-C4' energy: -4.546 flat angles C4'-P-C4' energy: -13.781 flat angles P-C4'-P energy: -6.527 tors. eta vs tors. theta energy: -16.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -106.226606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.226606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.226606 (E_RNA) where: Base-Base interactions energy: -61.869 where: short stacking energy: -27.279 Base-Backbone interact. energy: 0.371 local terms energy: -44.728609 where: bonds (distance) C4'-P energy: -7.140 bonds (distance) P-C4' energy: -12.817 flat angles C4'-P-C4' energy: -7.293 flat angles P-C4'-P energy: -9.416 tors. eta vs tors. theta energy: -8.063 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: 9, replica: 5 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -160.920143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.920143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.920143 (E_RNA) where: Base-Base interactions energy: -117.928 where: short stacking energy: -45.741 Base-Backbone interact. energy: -0.041 local terms energy: -42.950205 where: bonds (distance) C4'-P energy: -6.432 bonds (distance) P-C4' energy: -8.902 flat angles C4'-P-C4' energy: -9.070 flat angles P-C4'-P energy: -6.427 tors. eta vs tors. theta energy: -12.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -65.887750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.887750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.887750 (E_RNA) where: Base-Base interactions energy: -25.930 where: short stacking energy: -21.558 Base-Backbone interact. energy: 0.373 local terms energy: -40.331114 where: bonds (distance) C4'-P energy: -9.939 bonds (distance) P-C4' energy: -11.215 flat angles C4'-P-C4' energy: -6.865 flat angles P-C4'-P energy: -8.659 tors. eta vs tors. theta energy: -3.654 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: 7 ===================================== Write number: 490 Temperature: 0.900000 Total energy: -206.880223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.880223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.880223 (E_RNA) where: Base-Base interactions energy: -139.004 where: short stacking energy: -63.681 Base-Backbone interact. energy: -0.399 local terms energy: -67.477176 where: bonds (distance) C4'-P energy: -13.454 bonds (distance) P-C4' energy: -12.631 flat angles C4'-P-C4' energy: -13.497 flat angles P-C4'-P energy: -12.256 tors. eta vs tors. theta energy: -15.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 490 Temperature: 0.950000 Total energy: -200.270869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.270869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.270869 (E_RNA) where: Base-Base interactions energy: -140.076 where: short stacking energy: -61.165 Base-Backbone interact. energy: -0.000 local terms energy: -60.195051 where: bonds (distance) C4'-P energy: -8.945 bonds (distance) P-C4' energy: -11.060 flat angles C4'-P-C4' energy: -14.506 flat angles P-C4'-P energy: -9.580 tors. eta vs tors. theta energy: -16.105 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: 4 ===================================== Write number: 490 Temperature: 1.000000 Total energy: -197.499001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.499001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.499001 (E_RNA) where: Base-Base interactions energy: -137.035 where: short stacking energy: -55.270 Base-Backbone interact. energy: -0.060 local terms energy: -60.403317 where: bonds (distance) C4'-P energy: -12.563 bonds (distance) P-C4' energy: -12.623 flat angles C4'-P-C4' energy: -13.830 flat angles P-C4'-P energy: -4.584 tors. eta vs tors. theta energy: -16.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 490 Temperature: 1.050000 Total energy: -199.110459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.110459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.110459 (E_RNA) where: Base-Base interactions energy: -139.342 where: short stacking energy: -59.658 Base-Backbone interact. energy: -0.002 local terms energy: -59.767042 where: bonds (distance) C4'-P energy: -9.269 bonds (distance) P-C4' energy: -13.200 flat angles C4'-P-C4' energy: -10.560 flat angles P-C4'-P energy: -9.714 tors. eta vs tors. theta energy: -17.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 490 Temperature: 1.100000 Total energy: -192.711300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.711300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.711300 (E_RNA) where: Base-Base interactions energy: -139.054 where: short stacking energy: -61.289 Base-Backbone interact. energy: -0.011 local terms energy: -53.646158 where: bonds (distance) C4'-P energy: -11.392 bonds (distance) P-C4' energy: -9.777 flat angles C4'-P-C4' energy: -10.857 flat angles P-C4'-P energy: -5.819 tors. eta vs tors. theta energy: -15.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 490 Temperature: 1.150000 Total energy: -179.013637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.013637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.013637 (E_RNA) where: Base-Base interactions energy: -122.594 where: short stacking energy: -50.292 Base-Backbone interact. energy: -0.102 local terms energy: -56.318292 where: bonds (distance) C4'-P energy: -5.687 bonds (distance) P-C4' energy: -13.110 flat angles C4'-P-C4' energy: -15.107 flat angles P-C4'-P energy: -8.931 tors. eta vs tors. theta energy: -13.484 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: 1 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -175.425825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.425825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.425825 (E_RNA) where: Base-Base interactions energy: -124.398 where: short stacking energy: -46.889 Base-Backbone interact. energy: -0.027 local terms energy: -51.001141 where: bonds (distance) C4'-P energy: -12.042 bonds (distance) P-C4' energy: -6.606 flat angles C4'-P-C4' energy: -12.214 flat angles P-C4'-P energy: -9.760 tors. eta vs tors. theta energy: -10.380 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: 8 ===================================== Write number: 490 Temperature: 1.250000 Total energy: -70.629037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.629037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.629037 (E_RNA) where: Base-Base interactions energy: -24.128 where: short stacking energy: -25.128 Base-Backbone interact. energy: 0.251 local terms energy: -46.751164 where: bonds (distance) C4'-P energy: -13.814 bonds (distance) P-C4' energy: -13.941 flat angles C4'-P-C4' energy: -12.625 flat angles P-C4'-P energy: -7.179 tors. eta vs tors. theta energy: 0.808 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: 5 ===================================== Write number: 490 Temperature: 1.300000 Total energy: -159.708991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.708991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.708991 (E_RNA) where: Base-Base interactions energy: -111.179 where: short stacking energy: -45.248 Base-Backbone interact. energy: 0.222 local terms energy: -48.751574 where: bonds (distance) C4'-P energy: -10.137 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -11.176 flat angles P-C4'-P energy: -9.662 tors. eta vs tors. theta energy: -11.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 490 Temperature: 1.350000 Total energy: -68.075479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.075479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.075479 (E_RNA) where: Base-Base interactions energy: -28.809 where: short stacking energy: -28.809 Base-Backbone interact. energy: -0.054 local terms energy: -39.211953 where: bonds (distance) C4'-P energy: -3.626 bonds (distance) P-C4' energy: -13.644 flat angles C4'-P-C4' energy: -11.421 flat angles P-C4'-P energy: -6.464 tors. eta vs tors. theta energy: -4.058 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: 1, replica: 7 ===================================== Write number: 491 Temperature: 0.900000 Total energy: -205.577035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.577035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.577035 (E_RNA) where: Base-Base interactions energy: -136.459 where: short stacking energy: -58.568 Base-Backbone interact. energy: -0.003 local terms energy: -69.115533 where: bonds (distance) C4'-P energy: -15.159 bonds (distance) P-C4' energy: -12.733 flat angles C4'-P-C4' energy: -11.558 flat angles P-C4'-P energy: -10.634 tors. eta vs tors. theta energy: -19.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 491 Temperature: 0.950000 Total energy: -204.460420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.460420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.460420 (E_RNA) where: Base-Base interactions energy: -142.340 where: short stacking energy: -54.491 Base-Backbone interact. energy: -0.002 local terms energy: -62.118638 where: bonds (distance) C4'-P energy: -9.972 bonds (distance) P-C4' energy: -14.082 flat angles C4'-P-C4' energy: -13.252 flat angles P-C4'-P energy: -8.912 tors. eta vs tors. theta energy: -15.901 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: 4 ===================================== Write number: 491 Temperature: 1.000000 Total energy: -187.750617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.750617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.750617 (E_RNA) where: Base-Base interactions energy: -133.615 where: short stacking energy: -58.904 Base-Backbone interact. energy: -0.095 local terms energy: -54.040838 where: bonds (distance) C4'-P energy: -13.454 bonds (distance) P-C4' energy: -7.230 flat angles C4'-P-C4' energy: -11.263 flat angles P-C4'-P energy: -7.992 tors. eta vs tors. theta energy: -14.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 491 Temperature: 1.050000 Total energy: -195.802869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.802869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.802869 (E_RNA) where: Base-Base interactions energy: -136.453 where: short stacking energy: -58.024 Base-Backbone interact. energy: -0.001 local terms energy: -59.348951 where: bonds (distance) C4'-P energy: -13.308 bonds (distance) P-C4' energy: -13.042 flat angles C4'-P-C4' energy: -11.821 flat angles P-C4'-P energy: -4.340 tors. eta vs tors. theta energy: -16.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 491 Temperature: 1.100000 Total energy: -185.202371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.202371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.202371 (E_RNA) where: Base-Base interactions energy: -121.081 where: short stacking energy: -49.544 Base-Backbone interact. energy: -0.413 local terms energy: -63.708926 where: bonds (distance) C4'-P energy: -11.918 bonds (distance) P-C4' energy: -14.196 flat angles C4'-P-C4' energy: -14.724 flat angles P-C4'-P energy: -7.716 tors. eta vs tors. theta energy: -15.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 491 Temperature: 1.150000 Total energy: -178.121621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.121621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.121621 (E_RNA) where: Base-Base interactions energy: -126.597 where: short stacking energy: -53.391 Base-Backbone interact. energy: -0.047 local terms energy: -51.477388 where: bonds (distance) C4'-P energy: -7.600 bonds (distance) P-C4' energy: -8.562 flat angles C4'-P-C4' energy: -11.921 flat angles P-C4'-P energy: -9.981 tors. eta vs tors. theta energy: -13.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 491 Temperature: 1.200000 Total energy: -171.804612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.804612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.804612 (E_RNA) where: Base-Base interactions energy: -116.107 where: short stacking energy: -43.752 Base-Backbone interact. energy: -0.198 local terms energy: -55.498919 where: bonds (distance) C4'-P energy: -12.402 bonds (distance) P-C4' energy: -12.775 flat angles C4'-P-C4' energy: -10.408 flat angles P-C4'-P energy: -8.350 tors. eta vs tors. theta energy: -11.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 491 Temperature: 1.250000 Total energy: -166.298890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.298890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.298890 (E_RNA) where: Base-Base interactions energy: -110.522 where: short stacking energy: -45.299 Base-Backbone interact. energy: -0.094 local terms energy: -55.683154 where: bonds (distance) C4'-P energy: -14.348 bonds (distance) P-C4' energy: -11.570 flat angles C4'-P-C4' energy: -12.444 flat angles P-C4'-P energy: -3.588 tors. eta vs tors. theta energy: -13.734 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: 9, replica: 8 ===================================== Write number: 491 Temperature: 1.300000 Total energy: -65.557159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.557159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.557159 (E_RNA) where: Base-Base interactions energy: -26.780 where: short stacking energy: -25.519 Base-Backbone interact. energy: -0.008 local terms energy: -38.769113 where: bonds (distance) C4'-P energy: -10.804 bonds (distance) P-C4' energy: -13.745 flat angles C4'-P-C4' energy: -7.802 flat angles P-C4'-P energy: -4.240 tors. eta vs tors. theta energy: -2.179 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: 3 ===================================== Write number: 491 Temperature: 1.350000 Total energy: -65.311535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.311535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.311535 (E_RNA) where: Base-Base interactions energy: -24.904 where: short stacking energy: -24.904 Base-Backbone interact. energy: 1.719 local terms energy: -42.126488 where: bonds (distance) C4'-P energy: -13.267 bonds (distance) P-C4' energy: -11.577 flat angles C4'-P-C4' energy: -9.823 flat angles P-C4'-P energy: -9.020 tors. eta vs tors. theta energy: 1.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 492 Temperature: 0.900000 Total energy: -209.226104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.226104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.226104 (E_RNA) where: Base-Base interactions energy: -140.460 where: short stacking energy: -59.873 Base-Backbone interact. energy: -0.003 local terms energy: -68.763450 where: bonds (distance) C4'-P energy: -13.044 bonds (distance) P-C4' energy: -15.082 flat angles C4'-P-C4' energy: -14.225 flat angles P-C4'-P energy: -10.188 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: 2, replica: 7 ===================================== Write number: 492 Temperature: 0.950000 Total energy: -204.981480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.981480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.981480 (E_RNA) where: Base-Base interactions energy: -141.299 where: short stacking energy: -61.581 Base-Backbone interact. energy: -0.002 local terms energy: -63.680436 where: bonds (distance) C4'-P energy: -13.612 bonds (distance) P-C4' energy: -13.021 flat angles C4'-P-C4' energy: -13.789 flat angles P-C4'-P energy: -7.096 tors. eta vs tors. theta energy: -16.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 492 Temperature: 1.000000 Total energy: -186.732682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.732682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.732682 (E_RNA) where: Base-Base interactions energy: -133.979 where: short stacking energy: -54.687 Base-Backbone interact. energy: -0.001 local terms energy: -52.753099 where: bonds (distance) C4'-P energy: -12.340 bonds (distance) P-C4' energy: -9.982 flat angles C4'-P-C4' energy: -13.249 flat angles P-C4'-P energy: -4.871 tors. eta vs tors. theta energy: -12.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 492 Temperature: 1.050000 Total energy: -193.838196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.838196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.838196 (E_RNA) where: Base-Base interactions energy: -129.427 where: short stacking energy: -47.822 Base-Backbone interact. energy: -0.001 local terms energy: -64.409466 where: bonds (distance) C4'-P energy: -12.990 bonds (distance) P-C4' energy: -13.018 flat angles C4'-P-C4' energy: -10.918 flat angles P-C4'-P energy: -11.409 tors. eta vs tors. theta energy: -16.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 492 Temperature: 1.100000 Total energy: -181.256746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.256746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.256746 (E_RNA) where: Base-Base interactions energy: -122.637 where: short stacking energy: -46.202 Base-Backbone interact. energy: -0.037 local terms energy: -58.583190 where: bonds (distance) C4'-P energy: -9.616 bonds (distance) P-C4' energy: -12.930 flat angles C4'-P-C4' energy: -14.417 flat angles P-C4'-P energy: -4.894 tors. eta vs tors. theta energy: -16.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 492 Temperature: 1.150000 Total energy: -175.914480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.914480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.914480 (E_RNA) where: Base-Base interactions energy: -115.320 where: short stacking energy: -53.939 Base-Backbone interact. energy: -0.001 local terms energy: -60.594005 where: bonds (distance) C4'-P energy: -12.524 bonds (distance) P-C4' energy: -11.292 flat angles C4'-P-C4' energy: -10.893 flat angles P-C4'-P energy: -10.820 tors. eta vs tors. theta energy: -15.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 492 Temperature: 1.200000 Total energy: -183.017846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.017846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.017846 (E_RNA) where: Base-Base interactions energy: -120.111 where: short stacking energy: -49.458 Base-Backbone interact. energy: 0.253 local terms energy: -63.160222 where: bonds (distance) C4'-P energy: -11.521 bonds (distance) P-C4' energy: -14.668 flat angles C4'-P-C4' energy: -11.771 flat angles P-C4'-P energy: -10.667 tors. eta vs tors. theta energy: -14.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 492 Temperature: 1.250000 Total energy: -164.893722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.893722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.893722 (E_RNA) where: Base-Base interactions energy: -115.783 where: short stacking energy: -43.045 Base-Backbone interact. energy: -0.518 local terms energy: -48.592771 where: bonds (distance) C4'-P energy: -9.681 bonds (distance) P-C4' energy: -8.844 flat angles C4'-P-C4' energy: -10.861 flat angles P-C4'-P energy: -4.464 tors. eta vs tors. theta energy: -14.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 492 Temperature: 1.300000 Total energy: -65.707639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.707639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.707639 (E_RNA) where: Base-Base interactions energy: -18.217 where: short stacking energy: -18.217 Base-Backbone interact. energy: -0.058 local terms energy: -47.432259 where: bonds (distance) C4'-P energy: -12.626 bonds (distance) P-C4' energy: -13.128 flat angles C4'-P-C4' energy: -10.292 flat angles P-C4'-P energy: -7.548 tors. eta vs tors. theta energy: -3.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 492 Temperature: 1.350000 Total energy: -64.226889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.226889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.226889 (E_RNA) where: Base-Base interactions energy: -24.044 where: short stacking energy: -18.988 Base-Backbone interact. energy: -0.193 local terms energy: -39.989700 where: bonds (distance) C4'-P energy: -12.034 bonds (distance) P-C4' energy: -13.194 flat angles C4'-P-C4' energy: -7.295 flat angles P-C4'-P energy: -7.702 tors. eta vs tors. theta energy: 0.235 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: 6 ===================================== Write number: 493 Temperature: 0.900000 Total energy: -203.037092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.037092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.037092 (E_RNA) where: Base-Base interactions energy: -136.318 where: short stacking energy: -58.651 Base-Backbone interact. energy: -0.003 local terms energy: -66.716042 where: bonds (distance) C4'-P energy: -11.728 bonds (distance) P-C4' energy: -14.628 flat angles C4'-P-C4' energy: -13.890 flat angles P-C4'-P energy: -12.096 tors. eta vs tors. theta energy: -14.374 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: 10 ===================================== Write number: 493 Temperature: 0.950000 Total energy: -189.947549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.947549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.947549 (E_RNA) where: Base-Base interactions energy: -133.187 where: short stacking energy: -55.189 Base-Backbone interact. energy: -0.014 local terms energy: -56.746309 where: bonds (distance) C4'-P energy: -13.284 bonds (distance) P-C4' energy: -12.926 flat angles C4'-P-C4' energy: -11.609 flat angles P-C4'-P energy: -5.358 tors. eta vs tors. theta energy: -13.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 493 Temperature: 1.000000 Total energy: -201.028898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.028898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.028898 (E_RNA) where: Base-Base interactions energy: -140.646 where: short stacking energy: -57.981 Base-Backbone interact. energy: -0.008 local terms energy: -60.375130 where: bonds (distance) C4'-P energy: -13.806 bonds (distance) P-C4' energy: -11.979 flat angles C4'-P-C4' energy: -12.749 flat angles P-C4'-P energy: -5.717 tors. eta vs tors. theta energy: -16.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 493 Temperature: 1.050000 Total energy: -194.941348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.941348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.941348 (E_RNA) where: Base-Base interactions energy: -137.631 where: short stacking energy: -54.385 Base-Backbone interact. energy: -0.002 local terms energy: -57.309176 where: bonds (distance) C4'-P energy: -9.128 bonds (distance) P-C4' energy: -14.646 flat angles C4'-P-C4' energy: -11.081 flat angles P-C4'-P energy: -9.761 tors. eta vs tors. theta energy: -12.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 493 Temperature: 1.100000 Total energy: -186.924514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.924514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.924514 (E_RNA) where: Base-Base interactions energy: -132.210 where: short stacking energy: -52.110 Base-Backbone interact. energy: 1.794 local terms energy: -56.508658 where: bonds (distance) C4'-P energy: -8.171 bonds (distance) P-C4' energy: -13.565 flat angles C4'-P-C4' energy: -11.599 flat angles P-C4'-P energy: -6.966 tors. eta vs tors. theta energy: -16.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 493 Temperature: 1.150000 Total energy: -166.825605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.825605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.825605 (E_RNA) where: Base-Base interactions energy: -116.704 where: short stacking energy: -44.959 Base-Backbone interact. energy: -0.649 local terms energy: -49.472258 where: bonds (distance) C4'-P energy: -7.265 bonds (distance) P-C4' energy: -15.318 flat angles C4'-P-C4' energy: -11.252 flat angles P-C4'-P energy: -4.359 tors. eta vs tors. theta energy: -11.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 493 Temperature: 1.200000 Total energy: -182.657240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.657240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.657240 (E_RNA) where: Base-Base interactions energy: -125.544 where: short stacking energy: -53.510 Base-Backbone interact. energy: -0.007 local terms energy: -57.106173 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -10.616 flat angles C4'-P-C4' energy: -14.165 flat angles P-C4'-P energy: -9.452 tors. eta vs tors. theta energy: -16.250 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: 493 Temperature: 1.250000 Total energy: -170.636111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.636111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.636111 (E_RNA) where: Base-Base interactions energy: -113.114 where: short stacking energy: -49.985 Base-Backbone interact. energy: -0.004 local terms energy: -57.517801 where: bonds (distance) C4'-P energy: -11.318 bonds (distance) P-C4' energy: -11.662 flat angles C4'-P-C4' energy: -11.045 flat angles P-C4'-P energy: -8.641 tors. eta vs tors. theta energy: -14.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 493 Temperature: 1.300000 Total energy: -71.522420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.522420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.522420 (E_RNA) where: Base-Base interactions energy: -26.440 where: short stacking energy: -26.440 Base-Backbone interact. energy: -0.087 local terms energy: -44.995632 where: bonds (distance) C4'-P energy: -11.562 bonds (distance) P-C4' energy: -12.628 flat angles C4'-P-C4' energy: -13.982 flat angles P-C4'-P energy: -8.823 tors. eta vs tors. theta energy: 1.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 493 Temperature: 1.350000 Total energy: -74.761330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.761330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.761330 (E_RNA) where: Base-Base interactions energy: -37.004 where: short stacking energy: -27.076 Base-Backbone interact. energy: -0.362 local terms energy: -37.395619 where: bonds (distance) C4'-P energy: -9.065 bonds (distance) P-C4' energy: -11.166 flat angles C4'-P-C4' energy: -9.268 flat angles P-C4'-P energy: -2.677 tors. eta vs tors. theta energy: -5.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 494 Temperature: 0.900000 Total energy: -207.136122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.136122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.136122 (E_RNA) where: Base-Base interactions energy: -142.940 where: short stacking energy: -59.699 Base-Backbone interact. energy: -0.000 local terms energy: -64.196124 where: bonds (distance) C4'-P energy: -12.989 bonds (distance) P-C4' energy: -13.916 flat angles C4'-P-C4' energy: -14.654 flat angles P-C4'-P energy: -6.657 tors. eta vs tors. theta energy: -15.980 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: 6 ===================================== Write number: 494 Temperature: 0.950000 Total energy: -202.126428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.126428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.126428 (E_RNA) where: Base-Base interactions energy: -143.378 where: short stacking energy: -60.567 Base-Backbone interact. energy: -0.000 local terms energy: -58.747942 where: bonds (distance) C4'-P energy: -11.503 bonds (distance) P-C4' energy: -10.632 flat angles C4'-P-C4' energy: -13.676 flat angles P-C4'-P energy: -6.334 tors. eta vs tors. theta energy: -16.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 494 Temperature: 1.000000 Total energy: -197.476579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.476579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.476579 (E_RNA) where: Base-Base interactions energy: -137.453 where: short stacking energy: -56.364 Base-Backbone interact. energy: -0.001 local terms energy: -60.022976 where: bonds (distance) C4'-P energy: -12.646 bonds (distance) P-C4' energy: -11.256 flat angles C4'-P-C4' energy: -11.242 flat angles P-C4'-P energy: -9.752 tors. eta vs tors. theta energy: -15.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 494 Temperature: 1.050000 Total energy: -186.592941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.592941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.592941 (E_RNA) where: Base-Base interactions energy: -127.629 where: short stacking energy: -60.845 Base-Backbone interact. energy: -0.046 local terms energy: -58.917817 where: bonds (distance) C4'-P energy: -11.449 bonds (distance) P-C4' energy: -10.300 flat angles C4'-P-C4' energy: -11.488 flat angles P-C4'-P energy: -5.847 tors. eta vs tors. theta energy: -19.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 494 Temperature: 1.100000 Total energy: -184.595888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.595888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.595888 (E_RNA) where: Base-Base interactions energy: -124.936 where: short stacking energy: -53.637 Base-Backbone interact. energy: -0.039 local terms energy: -59.621534 where: bonds (distance) C4'-P energy: -12.849 bonds (distance) P-C4' energy: -9.656 flat angles C4'-P-C4' energy: -13.445 flat angles P-C4'-P energy: -8.957 tors. eta vs tors. theta energy: -14.715 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: 1 ===================================== Write number: 494 Temperature: 1.150000 Total energy: -179.834619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.834619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.834619 (E_RNA) where: Base-Base interactions energy: -125.063 where: short stacking energy: -50.321 Base-Backbone interact. energy: -0.628 local terms energy: -54.143781 where: bonds (distance) C4'-P energy: -9.882 bonds (distance) P-C4' energy: -10.097 flat angles C4'-P-C4' energy: -11.088 flat angles P-C4'-P energy: -7.955 tors. eta vs tors. theta energy: -15.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 494 Temperature: 1.200000 Total energy: -173.666463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.666463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.666463 (E_RNA) where: Base-Base interactions energy: -123.595 where: short stacking energy: -53.282 Base-Backbone interact. energy: -0.178 local terms energy: -49.893767 where: bonds (distance) C4'-P energy: -13.801 bonds (distance) P-C4' energy: -4.070 flat angles C4'-P-C4' energy: -12.636 flat angles P-C4'-P energy: -10.622 tors. eta vs tors. theta energy: -8.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 494 Temperature: 1.250000 Total energy: -172.347746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.347746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.347746 (E_RNA) where: Base-Base interactions energy: -121.884 where: short stacking energy: -48.886 Base-Backbone interact. energy: -0.105 local terms energy: -50.359279 where: bonds (distance) C4'-P energy: -12.113 bonds (distance) P-C4' energy: -8.570 flat angles C4'-P-C4' energy: -12.104 flat angles P-C4'-P energy: -6.451 tors. eta vs tors. theta energy: -11.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 494 Temperature: 1.300000 Total energy: -71.853114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.853114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.853114 (E_RNA) where: Base-Base interactions energy: -26.223 where: short stacking energy: -24.132 Base-Backbone interact. energy: -0.057 local terms energy: -45.573923 where: bonds (distance) C4'-P energy: -12.920 bonds (distance) P-C4' energy: -12.193 flat angles C4'-P-C4' energy: -10.958 flat angles P-C4'-P energy: -7.904 tors. eta vs tors. theta energy: -1.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 494 Temperature: 1.350000 Total energy: -66.883119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.883119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.883119 (E_RNA) where: Base-Base interactions energy: -27.535 where: short stacking energy: -24.877 Base-Backbone interact. energy: -0.211 local terms energy: -39.136737 where: bonds (distance) C4'-P energy: -8.971 bonds (distance) P-C4' energy: -12.430 flat angles C4'-P-C4' energy: -7.351 flat angles P-C4'-P energy: -6.213 tors. eta vs tors. theta energy: -4.172 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: 10 ===================================== Write number: 495 Temperature: 0.900000 Total energy: -207.959634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.959634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.959634 (E_RNA) where: Base-Base interactions energy: -144.281 where: short stacking energy: -61.627 Base-Backbone interact. energy: -0.004 local terms energy: -63.675204 where: bonds (distance) C4'-P energy: -11.374 bonds (distance) P-C4' energy: -13.314 flat angles C4'-P-C4' energy: -12.156 flat angles P-C4'-P energy: -9.484 tors. eta vs tors. theta energy: -17.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 495 Temperature: 0.950000 Total energy: -198.995100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.995100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.995100 (E_RNA) where: Base-Base interactions energy: -143.320 where: short stacking energy: -63.599 Base-Backbone interact. energy: -0.006 local terms energy: -55.668706 where: bonds (distance) C4'-P energy: -7.160 bonds (distance) P-C4' energy: -12.732 flat angles C4'-P-C4' energy: -11.443 flat angles P-C4'-P energy: -9.771 tors. eta vs tors. theta energy: -14.563 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: 7 ===================================== Write number: 495 Temperature: 1.000000 Total energy: -202.627877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.627877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.627877 (E_RNA) where: Base-Base interactions energy: -136.353 where: short stacking energy: -54.705 Base-Backbone interact. energy: -1.462 local terms energy: -64.812599 where: bonds (distance) C4'-P energy: -13.043 bonds (distance) P-C4' energy: -10.446 flat angles C4'-P-C4' energy: -13.918 flat angles P-C4'-P energy: -12.228 tors. eta vs tors. theta energy: -15.178 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: 4, replica: 5 ===================================== Write number: 495 Temperature: 1.050000 Total energy: -185.031213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.031213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.031213 (E_RNA) where: Base-Base interactions energy: -134.042 where: short stacking energy: -53.187 Base-Backbone interact. energy: 0.431 local terms energy: -51.419782 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -11.026 flat angles C4'-P-C4' energy: -12.686 flat angles P-C4'-P energy: -10.079 tors. eta vs tors. theta energy: -9.581 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: 4 ===================================== Write number: 495 Temperature: 1.100000 Total energy: -192.323374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.323374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.323374 (E_RNA) where: Base-Base interactions energy: -134.259 where: short stacking energy: -56.576 Base-Backbone interact. energy: -1.183 local terms energy: -56.881105 where: bonds (distance) C4'-P energy: -10.530 bonds (distance) P-C4' energy: -9.238 flat angles C4'-P-C4' energy: -12.528 flat angles P-C4'-P energy: -8.478 tors. eta vs tors. theta energy: -16.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 495 Temperature: 1.150000 Total energy: -180.100986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.100986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.100986 (E_RNA) where: Base-Base interactions energy: -118.681 where: short stacking energy: -53.855 Base-Backbone interact. energy: -0.007 local terms energy: -61.412336 where: bonds (distance) C4'-P energy: -12.046 bonds (distance) P-C4' energy: -11.719 flat angles C4'-P-C4' energy: -14.430 flat angles P-C4'-P energy: -9.223 tors. eta vs tors. theta energy: -13.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 495 Temperature: 1.200000 Total energy: -172.995628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.995628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.995628 (E_RNA) where: Base-Base interactions energy: -114.674 where: short stacking energy: -53.027 Base-Backbone interact. energy: -0.009 local terms energy: -58.312687 where: bonds (distance) C4'-P energy: -5.795 bonds (distance) P-C4' energy: -11.800 flat angles C4'-P-C4' energy: -13.739 flat angles P-C4'-P energy: -9.850 tors. eta vs tors. theta energy: -17.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 495 Temperature: 1.250000 Total energy: -179.194717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.194717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.194717 (E_RNA) where: Base-Base interactions energy: -125.629 where: short stacking energy: -60.086 Base-Backbone interact. energy: -0.007 local terms energy: -53.558356 where: bonds (distance) C4'-P energy: -11.459 bonds (distance) P-C4' energy: -4.954 flat angles C4'-P-C4' energy: -13.902 flat angles P-C4'-P energy: -8.763 tors. eta vs tors. theta energy: -14.481 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: 8 ===================================== Write number: 495 Temperature: 1.300000 Total energy: -66.939224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.939224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.939224 (E_RNA) where: Base-Base interactions energy: -24.488 where: short stacking energy: -15.189 Base-Backbone interact. energy: 0.151 local terms energy: -42.602084 where: bonds (distance) C4'-P energy: -12.166 bonds (distance) P-C4' energy: -9.624 flat angles C4'-P-C4' energy: -12.338 flat angles P-C4'-P energy: -6.624 tors. eta vs tors. theta energy: -1.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 495 Temperature: 1.350000 Total energy: -74.046133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.046133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.046133 (E_RNA) where: Base-Base interactions energy: -29.953 where: short stacking energy: -29.789 Base-Backbone interact. energy: -0.025 local terms energy: -44.067595 where: bonds (distance) C4'-P energy: -10.547 bonds (distance) P-C4' energy: -11.069 flat angles C4'-P-C4' energy: -11.576 flat angles P-C4'-P energy: -2.572 tors. eta vs tors. theta energy: -8.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 496 Temperature: 0.900000 Total energy: -205.272585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.272585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.272585 (E_RNA) where: Base-Base interactions energy: -138.946 where: short stacking energy: -59.938 Base-Backbone interact. energy: -0.027 local terms energy: -66.299380 where: bonds (distance) C4'-P energy: -13.699 bonds (distance) P-C4' energy: -12.190 flat angles C4'-P-C4' energy: -13.464 flat angles P-C4'-P energy: -10.658 tors. eta vs tors. theta energy: -16.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 496 Temperature: 0.950000 Total energy: -195.387409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.387409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.387409 (E_RNA) where: Base-Base interactions energy: -138.414 where: short stacking energy: -58.094 Base-Backbone interact. energy: -0.166 local terms energy: -56.807138 where: bonds (distance) C4'-P energy: -9.914 bonds (distance) P-C4' energy: -11.560 flat angles C4'-P-C4' energy: -11.725 flat angles P-C4'-P energy: -10.296 tors. eta vs tors. theta energy: -13.312 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: 7 ===================================== Write number: 496 Temperature: 1.000000 Total energy: -200.857167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.857167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.857167 (E_RNA) where: Base-Base interactions energy: -136.609 where: short stacking energy: -58.201 Base-Backbone interact. energy: -0.763 local terms energy: -63.485546 where: bonds (distance) C4'-P energy: -10.589 bonds (distance) P-C4' energy: -12.785 flat angles C4'-P-C4' energy: -13.183 flat angles P-C4'-P energy: -9.349 tors. eta vs tors. theta energy: -17.581 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: 5 ===================================== Write number: 496 Temperature: 1.050000 Total energy: -193.666550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.666550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.666550 (E_RNA) where: Base-Base interactions energy: -133.284 where: short stacking energy: -54.404 Base-Backbone interact. energy: -0.002 local terms energy: -60.380269 where: bonds (distance) C4'-P energy: -13.230 bonds (distance) P-C4' energy: -11.618 flat angles C4'-P-C4' energy: -12.005 flat angles P-C4'-P energy: -7.174 tors. eta vs tors. theta energy: -16.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 496 Temperature: 1.100000 Total energy: -191.045390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.045390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.045390 (E_RNA) where: Base-Base interactions energy: -131.879 where: short stacking energy: -55.030 Base-Backbone interact. energy: -0.000 local terms energy: -59.166503 where: bonds (distance) C4'-P energy: -12.129 bonds (distance) P-C4' energy: -10.569 flat angles C4'-P-C4' energy: -13.901 flat angles P-C4'-P energy: -8.272 tors. eta vs tors. theta energy: -14.295 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: 2 ===================================== Write number: 496 Temperature: 1.150000 Total energy: -185.516550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.516550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.516550 (E_RNA) where: Base-Base interactions energy: -130.266 where: short stacking energy: -59.892 Base-Backbone interact. energy: -0.000 local terms energy: -55.250267 where: bonds (distance) C4'-P energy: -11.442 bonds (distance) P-C4' energy: -9.101 flat angles C4'-P-C4' energy: -10.410 flat angles P-C4'-P energy: -9.258 tors. eta vs tors. theta energy: -15.040 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: 9 ===================================== Write number: 496 Temperature: 1.200000 Total energy: -172.563230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.563230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.563230 (E_RNA) where: Base-Base interactions energy: -121.323 where: short stacking energy: -43.678 Base-Backbone interact. energy: -0.314 local terms energy: -50.925520 where: bonds (distance) C4'-P energy: -10.870 bonds (distance) P-C4' energy: -7.102 flat angles C4'-P-C4' energy: -11.161 flat angles P-C4'-P energy: -10.392 tors. eta vs tors. theta energy: -11.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 496 Temperature: 1.250000 Total energy: -151.419703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.419703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.419703 (E_RNA) where: Base-Base interactions energy: -106.280 where: short stacking energy: -41.827 Base-Backbone interact. energy: -0.193 local terms energy: -44.946643 where: bonds (distance) C4'-P energy: -6.262 bonds (distance) P-C4' energy: -14.331 flat angles C4'-P-C4' energy: -10.399 flat angles P-C4'-P energy: -6.140 tors. eta vs tors. theta energy: -7.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 496 Temperature: 1.300000 Total energy: -65.921230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.921230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.921230 (E_RNA) where: Base-Base interactions energy: -26.043 where: short stacking energy: -17.140 Base-Backbone interact. energy: -1.444 local terms energy: -38.434455 where: bonds (distance) C4'-P energy: -9.475 bonds (distance) P-C4' energy: -11.672 flat angles C4'-P-C4' energy: -9.476 flat angles P-C4'-P energy: -7.112 tors. eta vs tors. theta energy: -0.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 496 Temperature: 1.350000 Total energy: -68.127984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.127984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.127984 (E_RNA) where: Base-Base interactions energy: -24.923 where: short stacking energy: -17.968 Base-Backbone interact. energy: -0.060 local terms energy: -43.145244 where: bonds (distance) C4'-P energy: -10.742 bonds (distance) P-C4' energy: -12.652 flat angles C4'-P-C4' energy: -9.206 flat angles P-C4'-P energy: -7.317 tors. eta vs tors. theta energy: -3.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 497 Temperature: 0.900000 Total energy: -205.461422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.461422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.461422 (E_RNA) where: Base-Base interactions energy: -140.316 where: short stacking energy: -59.587 Base-Backbone interact. energy: -0.066 local terms energy: -65.079270 where: bonds (distance) C4'-P energy: -11.032 bonds (distance) P-C4' energy: -12.574 flat angles C4'-P-C4' energy: -15.025 flat angles P-C4'-P energy: -9.728 tors. eta vs tors. theta energy: -16.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 497 Temperature: 0.950000 Total energy: -204.703228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.703228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.703228 (E_RNA) where: Base-Base interactions energy: -140.841 where: short stacking energy: -56.387 Base-Backbone interact. energy: -0.095 local terms energy: -63.767769 where: bonds (distance) C4'-P energy: -12.687 bonds (distance) P-C4' energy: -12.505 flat angles C4'-P-C4' energy: -12.210 flat angles P-C4'-P energy: -7.516 tors. eta vs tors. theta energy: -18.850 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: 6 ===================================== Write number: 497 Temperature: 1.000000 Total energy: -193.706465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.706465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.706465 (E_RNA) where: Base-Base interactions energy: -137.731 where: short stacking energy: -59.465 Base-Backbone interact. energy: -0.014 local terms energy: -55.961809 where: bonds (distance) C4'-P energy: -6.713 bonds (distance) P-C4' energy: -14.632 flat angles C4'-P-C4' energy: -13.968 flat angles P-C4'-P energy: -4.562 tors. eta vs tors. theta energy: -16.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 497 Temperature: 1.050000 Total energy: -199.192692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.192692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.192692 (E_RNA) where: Base-Base interactions energy: -139.038 where: short stacking energy: -56.543 Base-Backbone interact. energy: -0.000 local terms energy: -60.154373 where: bonds (distance) C4'-P energy: -14.617 bonds (distance) P-C4' energy: -7.785 flat angles C4'-P-C4' energy: -14.569 flat angles P-C4'-P energy: -8.869 tors. eta vs tors. theta energy: -14.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 497 Temperature: 1.100000 Total energy: -185.802671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.802671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.802671 (E_RNA) where: Base-Base interactions energy: -127.164 where: short stacking energy: -55.062 Base-Backbone interact. energy: -0.000 local terms energy: -58.638447 where: bonds (distance) C4'-P energy: -10.374 bonds (distance) P-C4' energy: -11.936 flat angles C4'-P-C4' energy: -15.009 flat angles P-C4'-P energy: -6.209 tors. eta vs tors. theta energy: -15.110 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: 9 ===================================== Write number: 497 Temperature: 1.150000 Total energy: -178.317061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.317061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.317061 (E_RNA) where: Base-Base interactions energy: -127.222 where: short stacking energy: -41.247 Base-Backbone interact. energy: -0.013 local terms energy: -51.081961 where: bonds (distance) C4'-P energy: -7.625 bonds (distance) P-C4' energy: -13.684 flat angles C4'-P-C4' energy: -12.394 flat angles P-C4'-P energy: -3.627 tors. eta vs tors. theta energy: -13.752 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: 2 ===================================== Write number: 497 Temperature: 1.200000 Total energy: -183.136356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.136356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.136356 (E_RNA) where: Base-Base interactions energy: -128.223 where: short stacking energy: -56.170 Base-Backbone interact. energy: -0.285 local terms energy: -54.628199 where: bonds (distance) C4'-P energy: -7.981 bonds (distance) P-C4' energy: -12.763 flat angles C4'-P-C4' energy: -11.477 flat angles P-C4'-P energy: -9.560 tors. eta vs tors. theta energy: -12.846 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: 1 ===================================== Write number: 497 Temperature: 1.250000 Total energy: -190.760931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.760931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.760931 (E_RNA) where: Base-Base interactions energy: -139.145 where: short stacking energy: -59.767 Base-Backbone interact. energy: -0.089 local terms energy: -51.527012 where: bonds (distance) C4'-P energy: -9.046 bonds (distance) P-C4' energy: -9.325 flat angles C4'-P-C4' energy: -10.382 flat angles P-C4'-P energy: -4.995 tors. eta vs tors. theta energy: -17.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 497 Temperature: 1.300000 Total energy: -74.409641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.409641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.409641 (E_RNA) where: Base-Base interactions energy: -34.598 where: short stacking energy: -31.077 Base-Backbone interact. energy: -0.082 local terms energy: -39.730220 where: bonds (distance) C4'-P energy: -10.850 bonds (distance) P-C4' energy: -10.220 flat angles C4'-P-C4' energy: -12.075 flat angles P-C4'-P energy: -7.372 tors. eta vs tors. theta energy: 0.787 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: 8 ===================================== Write number: 497 Temperature: 1.350000 Total energy: -58.232521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.232521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.232521 (E_RNA) where: Base-Base interactions energy: -19.646 where: short stacking energy: -15.265 Base-Backbone interact. energy: -0.040 local terms energy: -38.546893 where: bonds (distance) C4'-P energy: -10.611 bonds (distance) P-C4' energy: -9.418 flat angles C4'-P-C4' energy: -12.802 flat angles P-C4'-P energy: -1.082 tors. eta vs tors. theta energy: -4.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 498 Temperature: 0.900000 Total energy: -202.036984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.036984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.036984 (E_RNA) where: Base-Base interactions energy: -136.877 where: short stacking energy: -58.854 Base-Backbone interact. energy: -0.000 local terms energy: -65.159602 where: bonds (distance) C4'-P energy: -11.969 bonds (distance) P-C4' energy: -14.029 flat angles C4'-P-C4' energy: -13.695 flat angles P-C4'-P energy: -10.706 tors. eta vs tors. theta energy: -14.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 498 Temperature: 0.950000 Total energy: -195.247304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.247304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.247304 (E_RNA) where: Base-Base interactions energy: -133.393 where: short stacking energy: -56.272 Base-Backbone interact. energy: -0.001 local terms energy: -61.852890 where: bonds (distance) C4'-P energy: -10.399 bonds (distance) P-C4' energy: -10.455 flat angles C4'-P-C4' energy: -13.271 flat angles P-C4'-P energy: -11.059 tors. eta vs tors. theta energy: -16.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 498 Temperature: 1.000000 Total energy: -179.699708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.699708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.699708 (E_RNA) where: Base-Base interactions energy: -124.269 where: short stacking energy: -50.635 Base-Backbone interact. energy: -1.914 local terms energy: -53.516489 where: bonds (distance) C4'-P energy: -12.741 bonds (distance) P-C4' energy: -8.703 flat angles C4'-P-C4' energy: -11.539 flat angles P-C4'-P energy: -7.597 tors. eta vs tors. theta energy: -12.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 498 Temperature: 1.050000 Total energy: -189.791293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.791293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.791293 (E_RNA) where: Base-Base interactions energy: -132.659 where: short stacking energy: -53.249 Base-Backbone interact. energy: -0.044 local terms energy: -57.087732 where: bonds (distance) C4'-P energy: -10.943 bonds (distance) P-C4' energy: -11.643 flat angles C4'-P-C4' energy: -11.095 flat angles P-C4'-P energy: -8.011 tors. eta vs tors. theta energy: -15.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 498 Temperature: 1.100000 Total energy: -188.298656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.298656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.298656 (E_RNA) where: Base-Base interactions energy: -125.115 where: short stacking energy: -58.983 Base-Backbone interact. energy: -0.007 local terms energy: -63.176245 where: bonds (distance) C4'-P energy: -10.643 bonds (distance) P-C4' energy: -13.566 flat angles C4'-P-C4' energy: -13.395 flat angles P-C4'-P energy: -9.669 tors. eta vs tors. theta energy: -15.903 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: 5 ===================================== Write number: 498 Temperature: 1.150000 Total energy: -172.057979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.057979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.057979 (E_RNA) where: Base-Base interactions energy: -117.842 where: short stacking energy: -43.062 Base-Backbone interact. energy: -0.010 local terms energy: -54.206742 where: bonds (distance) C4'-P energy: -10.762 bonds (distance) P-C4' energy: -12.143 flat angles C4'-P-C4' energy: -10.047 flat angles P-C4'-P energy: -6.948 tors. eta vs tors. theta energy: -14.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 498 Temperature: 1.200000 Total energy: -178.846021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.846021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.846021 (E_RNA) where: Base-Base interactions energy: -127.852 where: short stacking energy: -54.386 Base-Backbone interact. energy: -0.025 local terms energy: -50.969439 where: bonds (distance) C4'-P energy: -10.974 bonds (distance) P-C4' energy: -11.337 flat angles C4'-P-C4' energy: -11.505 flat angles P-C4'-P energy: -5.559 tors. eta vs tors. theta energy: -11.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 498 Temperature: 1.250000 Total energy: -172.374456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.374456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.374456 (E_RNA) where: Base-Base interactions energy: -126.474 where: short stacking energy: -42.079 Base-Backbone interact. energy: -0.007 local terms energy: -45.893726 where: bonds (distance) C4'-P energy: -11.890 bonds (distance) P-C4' energy: -11.349 flat angles C4'-P-C4' energy: -5.871 flat angles P-C4'-P energy: -5.100 tors. eta vs tors. theta energy: -11.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 498 Temperature: 1.300000 Total energy: -71.521182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.521182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.521182 (E_RNA) where: Base-Base interactions energy: -30.666 where: short stacking energy: -24.825 Base-Backbone interact. energy: -0.011 local terms energy: -40.844510 where: bonds (distance) C4'-P energy: -11.266 bonds (distance) P-C4' energy: -12.398 flat angles C4'-P-C4' energy: -9.877 flat angles P-C4'-P energy: -6.835 tors. eta vs tors. theta energy: -0.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 498 Temperature: 1.350000 Total energy: -74.295702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.295702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.295702 (E_RNA) where: Base-Base interactions energy: -36.296 where: short stacking energy: -28.741 Base-Backbone interact. energy: -0.001 local terms energy: -37.998029 where: bonds (distance) C4'-P energy: -10.895 bonds (distance) P-C4' energy: -10.568 flat angles C4'-P-C4' energy: -6.511 flat angles P-C4'-P energy: -4.840 tors. eta vs tors. theta energy: -5.183 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: 7 ===================================== Write number: 499 Temperature: 0.900000 Total energy: -203.133365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.133365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.133365 (E_RNA) where: Base-Base interactions energy: -139.314 where: short stacking energy: -61.382 Base-Backbone interact. energy: -0.003 local terms energy: -63.816535 where: bonds (distance) C4'-P energy: -12.424 bonds (distance) P-C4' energy: -13.825 flat angles C4'-P-C4' energy: -14.332 flat angles P-C4'-P energy: -7.937 tors. eta vs tors. theta energy: -15.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 499 Temperature: 0.950000 Total energy: -194.575260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.575260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.575260 (E_RNA) where: Base-Base interactions energy: -134.353 where: short stacking energy: -57.186 Base-Backbone interact. energy: 2.433 local terms energy: -62.654585 where: bonds (distance) C4'-P energy: -13.060 bonds (distance) P-C4' energy: -11.460 flat angles C4'-P-C4' energy: -12.956 flat angles P-C4'-P energy: -10.865 tors. eta vs tors. theta energy: -14.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 499 Temperature: 1.000000 Total energy: -189.273073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.273073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.273073 (E_RNA) where: Base-Base interactions energy: -129.416 where: short stacking energy: -54.623 Base-Backbone interact. energy: -0.002 local terms energy: -59.854322 where: bonds (distance) C4'-P energy: -10.957 bonds (distance) P-C4' energy: -12.071 flat angles C4'-P-C4' energy: -12.748 flat angles P-C4'-P energy: -9.588 tors. eta vs tors. theta energy: -14.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 499 Temperature: 1.050000 Total energy: -187.442167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.442167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.442167 (E_RNA) where: Base-Base interactions energy: -135.382 where: short stacking energy: -52.604 Base-Backbone interact. energy: -0.014 local terms energy: -52.045997 where: bonds (distance) C4'-P energy: -10.349 bonds (distance) P-C4' energy: -9.085 flat angles C4'-P-C4' energy: -12.296 flat angles P-C4'-P energy: -7.837 tors. eta vs tors. theta energy: -12.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 499 Temperature: 1.100000 Total energy: -186.873661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.873661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.873661 (E_RNA) where: Base-Base interactions energy: -127.972 where: short stacking energy: -50.540 Base-Backbone interact. energy: -0.027 local terms energy: -58.873895 where: bonds (distance) C4'-P energy: -9.551 bonds (distance) P-C4' energy: -8.871 flat angles C4'-P-C4' energy: -13.409 flat angles P-C4'-P energy: -12.074 tors. eta vs tors. theta energy: -14.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 499 Temperature: 1.150000 Total energy: -181.495582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.495582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.495582 (E_RNA) where: Base-Base interactions energy: -123.204 where: short stacking energy: -54.092 Base-Backbone interact. energy: -0.001 local terms energy: -58.290040 where: bonds (distance) C4'-P energy: -10.982 bonds (distance) P-C4' energy: -12.701 flat angles C4'-P-C4' energy: -13.228 flat angles P-C4'-P energy: -9.344 tors. eta vs tors. theta energy: -12.036 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: 1 ===================================== Write number: 499 Temperature: 1.200000 Total energy: -172.300288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.300288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.300288 (E_RNA) where: Base-Base interactions energy: -113.768 where: short stacking energy: -46.674 Base-Backbone interact. energy: -0.305 local terms energy: -58.227229 where: bonds (distance) C4'-P energy: -13.387 bonds (distance) P-C4' energy: -10.763 flat angles C4'-P-C4' energy: -12.323 flat angles P-C4'-P energy: -8.457 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: 8, replica: 2 ===================================== Write number: 499 Temperature: 1.250000 Total energy: -171.332926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.332926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.332926 (E_RNA) where: Base-Base interactions energy: -121.946 where: short stacking energy: -46.129 Base-Backbone interact. energy: -0.045 local terms energy: -49.342086 where: bonds (distance) C4'-P energy: -11.292 bonds (distance) P-C4' energy: -6.134 flat angles C4'-P-C4' energy: -11.268 flat angles P-C4'-P energy: -5.282 tors. eta vs tors. theta energy: -15.366 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: 9, replica: 8 ===================================== Write number: 499 Temperature: 1.300000 Total energy: -78.857568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.857568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.857568 (E_RNA) where: Base-Base interactions energy: -32.810 where: short stacking energy: -31.203 Base-Backbone interact. energy: -0.149 local terms energy: -45.898785 where: bonds (distance) C4'-P energy: -12.642 bonds (distance) P-C4' energy: -11.824 flat angles C4'-P-C4' energy: -11.985 flat angles P-C4'-P energy: -4.337 tors. eta vs tors. theta energy: -5.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 499 Temperature: 1.350000 Total energy: -61.666139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.666139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.666139 (E_RNA) where: Base-Base interactions energy: -22.677 where: short stacking energy: -22.677 Base-Backbone interact. energy: -0.205 local terms energy: -38.784449 where: bonds (distance) C4'-P energy: -14.020 bonds (distance) P-C4' energy: -12.804 flat angles C4'-P-C4' energy: -9.076 flat angles P-C4'-P energy: -2.533 tors. eta vs tors. theta energy: -0.351 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: 10 ===================================== Write number: 500 Temperature: 0.900000 Total energy: -195.101144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.101144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.101144 (E_RNA) where: Base-Base interactions energy: -134.323 where: short stacking energy: -58.879 Base-Backbone interact. energy: 0.080 local terms energy: -60.857958 where: bonds (distance) C4'-P energy: -11.669 bonds (distance) P-C4' energy: -14.591 flat angles C4'-P-C4' energy: -12.517 flat angles P-C4'-P energy: -6.677 tors. eta vs tors. theta energy: -15.405 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: 7 ===================================== Write number: 500 Temperature: 0.950000 Total energy: -203.814879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.814879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.814879 (E_RNA) where: Base-Base interactions energy: -141.530 where: short stacking energy: -60.997 Base-Backbone interact. energy: -0.143 local terms energy: -62.142816 where: bonds (distance) C4'-P energy: -12.726 bonds (distance) P-C4' energy: -11.271 flat angles C4'-P-C4' energy: -12.268 flat angles P-C4'-P energy: -6.694 tors. eta vs tors. theta energy: -19.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 500 Temperature: 1.000000 Total energy: -196.101557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.101557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.101557 (E_RNA) where: Base-Base interactions energy: -132.059 where: short stacking energy: -56.346 Base-Backbone interact. energy: -0.002 local terms energy: -64.041335 where: bonds (distance) C4'-P energy: -13.834 bonds (distance) P-C4' energy: -10.454 flat angles C4'-P-C4' energy: -14.147 flat angles P-C4'-P energy: -8.187 tors. eta vs tors. theta energy: -17.419 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: 6 ===================================== Write number: 500 Temperature: 1.050000 Total energy: -192.081495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.081495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.081495 (E_RNA) where: Base-Base interactions energy: -136.781 where: short stacking energy: -53.641 Base-Backbone interact. energy: -0.093 local terms energy: -55.207687 where: bonds (distance) C4'-P energy: -12.584 bonds (distance) P-C4' energy: -8.846 flat angles C4'-P-C4' energy: -11.412 flat angles P-C4'-P energy: -4.413 tors. eta vs tors. theta energy: -17.953 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: 9 ===================================== Write number: 500 Temperature: 1.100000 Total energy: -197.249829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.249829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.249829 (E_RNA) where: Base-Base interactions energy: -130.538 where: short stacking energy: -54.382 Base-Backbone interact. energy: -1.056 local terms energy: -65.656017 where: bonds (distance) C4'-P energy: -12.519 bonds (distance) P-C4' energy: -13.540 flat angles C4'-P-C4' energy: -13.698 flat angles P-C4'-P energy: -9.923 tors. eta vs tors. theta energy: -15.976 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: 5 ===================================== Write number: 500 Temperature: 1.150000 Total energy: -176.150985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.150985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.150985 (E_RNA) where: Base-Base interactions energy: -119.853 where: short stacking energy: -50.404 Base-Backbone interact. energy: -0.063 local terms energy: -56.235192 where: bonds (distance) C4'-P energy: -8.569 bonds (distance) P-C4' energy: -10.690 flat angles C4'-P-C4' energy: -10.966 flat angles P-C4'-P energy: -11.568 tors. eta vs tors. theta energy: -14.442 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: 1 ===================================== Write number: 500 Temperature: 1.200000 Total energy: -164.398684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.398684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.398684 (E_RNA) where: Base-Base interactions energy: -108.894 where: short stacking energy: -44.285 Base-Backbone interact. energy: -0.279 local terms energy: -55.225560 where: bonds (distance) C4'-P energy: -12.299 bonds (distance) P-C4' energy: -10.015 flat angles C4'-P-C4' energy: -12.436 flat angles P-C4'-P energy: -9.961 tors. eta vs tors. theta energy: -10.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 500 Temperature: 1.250000 Total energy: -164.745846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.745846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.745846 (E_RNA) where: Base-Base interactions energy: -109.465 where: short stacking energy: -44.146 Base-Backbone interact. energy: -0.011 local terms energy: -55.268967 where: bonds (distance) C4'-P energy: -9.898 bonds (distance) P-C4' energy: -10.318 flat angles C4'-P-C4' energy: -13.944 flat angles P-C4'-P energy: -7.070 tors. eta vs tors. theta energy: -14.039 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: 9, replica: 3 ===================================== Write number: 500 Temperature: 1.300000 Total energy: -68.529060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.529060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.529060 (E_RNA) where: Base-Base interactions energy: -23.160 where: short stacking energy: -23.160 Base-Backbone interact. energy: -0.014 local terms energy: -45.355210 where: bonds (distance) C4'-P energy: -13.018 bonds (distance) P-C4' energy: -10.791 flat angles C4'-P-C4' energy: -11.540 flat angles P-C4'-P energy: -8.526 tors. eta vs tors. theta energy: -1.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 500 Temperature: 1.350000 Total energy: -61.891008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.891008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.891008 (E_RNA) where: Base-Base interactions energy: -21.108 where: short stacking energy: -20.226 Base-Backbone interact. energy: -0.941 local terms energy: -39.842519 where: bonds (distance) C4'-P energy: -6.185 bonds (distance) P-C4' energy: -11.945 flat angles C4'-P-C4' energy: -6.445 flat angles P-C4'-P energy: -10.740 tors. eta vs tors. theta energy: -4.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 501 Temperature: 0.900000 Total energy: -205.736448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.736448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.736448 (E_RNA) where: Base-Base interactions energy: -142.061 where: short stacking energy: -61.192 Base-Backbone interact. energy: 0.080 local terms energy: -63.754888 where: bonds (distance) C4'-P energy: -6.971 bonds (distance) P-C4' energy: -14.395 flat angles C4'-P-C4' energy: -13.173 flat angles P-C4'-P energy: -11.507 tors. eta vs tors. theta energy: -17.709 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: 501 Temperature: 0.950000 Total energy: -202.831193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.831193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.831193 (E_RNA) where: Base-Base interactions energy: -141.824 where: short stacking energy: -57.555 Base-Backbone interact. energy: -0.000 local terms energy: -61.007389 where: bonds (distance) C4'-P energy: -14.377 bonds (distance) P-C4' energy: -10.891 flat angles C4'-P-C4' energy: -11.666 flat angles P-C4'-P energy: -5.608 tors. eta vs tors. theta energy: -18.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 501 Temperature: 1.000000 Total energy: -201.688470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.688470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.688470 (E_RNA) where: Base-Base interactions energy: -138.782 where: short stacking energy: -61.174 Base-Backbone interact. energy: -0.010 local terms energy: -62.895717 where: bonds (distance) C4'-P energy: -12.540 bonds (distance) P-C4' energy: -13.694 flat angles C4'-P-C4' energy: -14.307 flat angles P-C4'-P energy: -6.304 tors. eta vs tors. theta energy: -16.052 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: 9 ===================================== Write number: 501 Temperature: 1.050000 Total energy: -191.132126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.132126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.132126 (E_RNA) where: Base-Base interactions energy: -137.987 where: short stacking energy: -56.209 Base-Backbone interact. energy: -0.358 local terms energy: -52.786782 where: bonds (distance) C4'-P energy: -5.307 bonds (distance) P-C4' energy: -9.034 flat angles C4'-P-C4' energy: -13.738 flat angles P-C4'-P energy: -8.730 tors. eta vs tors. theta energy: -15.978 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: 5, replica: 6 ===================================== Write number: 501 Temperature: 1.100000 Total energy: -184.924440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.924440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.924440 (E_RNA) where: Base-Base interactions energy: -128.877 where: short stacking energy: -50.248 Base-Backbone interact. energy: -0.010 local terms energy: -56.037555 where: bonds (distance) C4'-P energy: -12.192 bonds (distance) P-C4' energy: -10.495 flat angles C4'-P-C4' energy: -11.958 flat angles P-C4'-P energy: -7.252 tors. eta vs tors. theta energy: -14.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 501 Temperature: 1.150000 Total energy: -184.828560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.828560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.828560 (E_RNA) where: Base-Base interactions energy: -126.105 where: short stacking energy: -53.338 Base-Backbone interact. energy: -0.105 local terms energy: -58.618910 where: bonds (distance) C4'-P energy: -13.024 bonds (distance) P-C4' energy: -12.744 flat angles C4'-P-C4' energy: -14.416 flat angles P-C4'-P energy: -6.134 tors. eta vs tors. theta energy: -12.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 501 Temperature: 1.200000 Total energy: -178.294002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.294002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.294002 (E_RNA) where: Base-Base interactions energy: -128.577 where: short stacking energy: -52.312 Base-Backbone interact. energy: -0.045 local terms energy: -49.672069 where: bonds (distance) C4'-P energy: -10.957 bonds (distance) P-C4' energy: -8.316 flat angles C4'-P-C4' energy: -12.364 flat angles P-C4'-P energy: -6.053 tors. eta vs tors. theta energy: -11.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 501 Temperature: 1.250000 Total energy: -164.326791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.326791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.326791 (E_RNA) where: Base-Base interactions energy: -112.387 where: short stacking energy: -43.395 Base-Backbone interact. energy: 0.117 local terms energy: -52.056680 where: bonds (distance) C4'-P energy: -11.984 bonds (distance) P-C4' energy: -11.362 flat angles C4'-P-C4' energy: -12.343 flat angles P-C4'-P energy: -7.748 tors. eta vs tors. theta energy: -8.619 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: 3 ===================================== Write number: 501 Temperature: 1.300000 Total energy: -71.458504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.458504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.458504 (E_RNA) where: Base-Base interactions energy: -27.134 where: short stacking energy: -21.903 Base-Backbone interact. energy: -0.056 local terms energy: -44.267639 where: bonds (distance) C4'-P energy: -12.385 bonds (distance) P-C4' energy: -11.057 flat angles C4'-P-C4' energy: -12.267 flat angles P-C4'-P energy: -9.708 tors. eta vs tors. theta energy: 1.150 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: 8 ===================================== Write number: 501 Temperature: 1.350000 Total energy: -67.773775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.773775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.773775 (E_RNA) where: Base-Base interactions energy: -28.121 where: short stacking energy: -13.690 Base-Backbone interact. energy: -0.300 local terms energy: -39.353336 where: bonds (distance) C4'-P energy: -10.001 bonds (distance) P-C4' energy: -14.802 flat angles C4'-P-C4' energy: -8.150 flat angles P-C4'-P energy: -8.286 tors. eta vs tors. theta energy: 1.885 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) replica 10 ended at temp. level: 1, temp: 0.900000 for this replica: moves confirmed at first: 12116130 moves confirmed later: 14070455 all moves confirmed: 26186585 percent of confirmed moves: 3.273323 current total energy: -165.778391 recalc. total energy: -165.778391 replica 7 ended at temp. level: 2, temp: 0.950000 for this replica: moves confirmed at first: 10994423 moves confirmed later: 12560359 all moves confirmed: 23554782 percent of confirmed moves: 2.944348 current total energy: -159.638098 recalc. total energy: -159.638098 replica 9 ended at temp. level: 3, temp: 1.000000 for this replica: moves confirmed at first: 9223685 moves confirmed later: 10196414 all moves confirmed: 19420099 percent of confirmed moves: 2.427512 current total energy: -166.128940 recalc. total energy: -166.128940 replica 4 ended at temp. level: 4, temp: 1.050000 for this replica: moves confirmed at first: 12189361 moves confirmed later: 14172931 all moves confirmed: 26362292 percent of confirmed moves: 3.295287 current total energy: -148.805613 recalc. total energy: -148.805613 replica 1 ended at temp. level: 5, temp: 1.100000 for this replica: moves confirmed at first: 11047119 moves confirmed later: 12609453 all moves confirmed: 23656572 percent of confirmed moves: 2.957072 current total energy: -144.020808 recalc. total energy: -144.020808 replica 6 ended at temp. level: 6, temp: 1.150000 for this replica: moves confirmed at first: 10467170 moves confirmed later: 11843686 all moves confirmed: 22310856 percent of confirmed moves: 2.788857 current total energy: -166.076038 recalc. total energy: -166.076038 replica 2 ended at temp. level: 7, temp: 1.200000 for this replica: moves confirmed at first: 9228686 moves confirmed later: 10161623 all moves confirmed: 19390309 percent of confirmed moves: 2.423789 current total energy: -128.264903 recalc. total energy: -128.264903 replica 5 ended at temp. level: 8, temp: 1.250000 for this replica: moves confirmed at first: 10148712 moves confirmed later: 11422522 all moves confirmed: 21571234 percent of confirmed moves: 2.696404 current total energy: -139.147959 recalc. total energy: -139.147959 replica 8 ended at temp. level: 9, temp: 1.300000 for this replica: moves confirmed at first: 20000144 moves confirmed later: 24706609 all moves confirmed: 44706753 percent of confirmed moves: 5.588344 current total energy: -47.634724 recalc. total energy: -47.634724 replica 3 ended at temp. level: 10, temp: 1.350000 for this replica: moves confirmed at first: 21212329 moves confirmed later: 26328117 all moves confirmed: 47540446 percent of confirmed moves: 5.942556 current total energy: -15.054192 recalc. total energy: -15.054192 out arg RESULTS//1/Thr-CGU-1-1_ASL-4f507d83_01 Time of doing 8000000 iterations: 1517.925 seconds